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 1.18312 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.1.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 MD.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.1.dcd Info: DCD FREQUENCY 10000 Info: DCD FIRST STEP 10000 Info: XST FILENAME MD.1.xst Info: XST FREQUENCY 10000 Info: NO VELOCITY DCD OUTPUT Info: NO FORCE DCD OUTPUT Info: OUTPUT FILENAME MD.1 Info: RESTART FILENAME MD.1.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 1475180099 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 MD.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: 0.550606 Info: TIME FOR READING PDB FILE: 0.0055151 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 MD.restart.coor Info: Info: Entering startup at 2.03949 s, 13.5625 MB of memory in use Info: Startup phase 0 took 5.38826e-05 s, 13.582 MB of memory in use Info: ADDED 19971 IMPLICIT EXCLUSIONS Info: Startup phase 1 took 0.00320506 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 0.265068 s, 97.7305 MB of memory in use Info: Startup phase 3 took 0.000149965 s, 97.7305 MB of memory in use Info: Startup phase 4 took 9.60827e-05 s, 97.7617 MB of memory in use Info: Startup phase 5 took 4.57764e-05 s, 97.7617 MB of memory in use Info: PATCH GRID IS 2 BY 3 BY 2 Info: PATCH GRID IS 1-AWAY BY 1-AWAY BY 1-AWAY Info: Reading from binary file MD.restart.vel Info: REMOVING COM VELOCITY -0.029688 0.179235 -0.0516889 Info: LARGEST PATCH (7) HAS 407 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 0.00299501 s, 97.8594 MB of memory in use Info: Startup phase 7 took 7.00951e-05 s, 97.8594 MB of memory in use Info: Startup phase 8 took 6.69956e-05 s, 97.8633 MB of memory in use LDB: Central LB being created... Info: Startup phase 9 took 9.39369e-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 0.0036571 s, 98.0273 MB of memory in use Info: Startup phase 11 took 0.000102997 s, 98.0273 MB of memory in use Info: Startup phase 12 took 0.000168085 s, 98.1055 MB of memory in use Info: Finished startup at 2.31527 s, 98.1055 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: 0 677.8360 1902.1324 1957.0775 100.4360 1.5098 -1095.4578 0.0000 0.0000 2645.6694 6189.2032 292.2216 3543.5338 6223.0649 292.2216 OPENING EXTENDED SYSTEM TRAJECTORY FILE LDB: ============= START OF LOAD BALANCING ============== 2.41697 LDB: ============== END OF LOAD BALANCING =============== 2.417 LDB: =============== DONE WITH MIGRATION ================ 2.41706 LDB: ============= START OF LOAD BALANCING ============== 2.73401 LDB: ============== END OF LOAD BALANCING =============== 2.73403 LDB: =============== DONE WITH MIGRATION ================ 2.7341 Info: Initial time: 1 CPUs 0.00412067 s/step 0.0238465 days/ns 106.242 MB memory LDB: ============= START OF LOAD BALANCING ============== 2.81263 LDB: ============== END OF LOAD BALANCING =============== 2.81264 LDB: =============== DONE WITH MIGRATION ================ 2.81269 LDB: ============= START OF LOAD BALANCING ============== 3.12817 LDB: ============== END OF LOAD BALANCING =============== 3.12818 LDB: =============== DONE WITH MIGRATION ================ 3.12825 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 0.00393982 s/step 0.0227999 days/ns 106.242 MB memory TIMING: 200 CPU: 0.81928, 0.00403271/step Wall: 0.81928, 0.00403271/step, 2.80027 hours remaining, 106.242188 MB of memory in use. ENERGY: 200 652.9783 1801.1270 1989.7722 98.6041 0.5263 -1113.6226 0.0000 0.0000 2658.2969 6087.6822 293.6163 3429.3853 6121.1684 294.3962 LDB: ============= START OF LOAD BALANCING ============== 3.52211 LDB: ============== END OF LOAD BALANCING =============== 3.52212 LDB: =============== DONE WITH MIGRATION ================ 3.52224 Info: Initial time: 1 CPUs 0.00393814 s/step 0.0227902 days/ns 106.379 MB memory LDB: ============= START OF LOAD BALANCING ============== 3.91545 LDB: ============== END OF LOAD BALANCING =============== 3.91546 LDB: =============== DONE WITH MIGRATION ================ 3.91552 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 0.00393091 s/step 0.0227483 days/ns 106.387 MB memory TIMING: 400 CPU: 1.60655, 0.00393637/step Wall: 1.60655, 0.00393637/step, 2.73315 hours remaining, 106.386719 MB of memory in use. ENERGY: 400 610.8340 1859.3488 1945.3240 104.2549 0.9341 -1111.9546 0.0000 0.0000 2738.3408 6147.0822 302.4574 3408.7413 6179.6882 293.9398 Info: Benchmark time: 1 CPUs 0.00392911 s/step 0.0227379 days/ns 106.391 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 0.00391783 s/step 0.0226726 days/ns 106.395 MB memory TIMING: 600 CPU: 2.39137, 0.00392408/step Wall: 2.39137, 0.00392408/step, 2.7244 hours remaining, 106.394531 MB of memory in use. ENERGY: 600 665.7004 1817.5168 1976.6324 111.3854 1.0337 -1100.2059 0.0000 0.0000 2694.5725 6166.6352 297.6230 3472.0627 6200.4689 297.3281 Info: Benchmark time: 1 CPUs 0.00392852 s/step 0.0227345 days/ns 106.484 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 0.00391047 s/step 0.02263 days/ns 106.484 MB memory TIMING: 800 CPU: 3.17539, 0.0039201/step Wall: 3.17539, 0.0039201/step, 2.72142 hours remaining, 106.484375 MB of memory in use. ENERGY: 800 650.5891 1845.8712 1957.5854 103.8188 1.4109 -1081.2070 0.0000 0.0000 2657.6200 6135.6884 293.5415 3478.0684 6167.4777 297.6380 Info: Benchmark time: 1 CPUs 0.00391391 s/step 0.0226499 days/ns 106.484 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: 3.96163, 0.00393121/step Wall: 3.96163, 0.00393121/step, 2.72891 hours remaining, 106.484375 MB of memory in use. ENERGY: 1000 644.7238 1849.8679 1943.6048 119.9085 1.2414 -1115.4850 0.0000 0.0000 2691.4380 6135.2993 297.2768 3443.8614 6168.2654 295.6970 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: 4.7465, 0.00392433/step Wall: 4.7465, 0.00392433/step, 2.72392 hours remaining, 106.574219 MB of memory in use. ENERGY: 1200 652.5991 1820.5414 1981.0061 114.1303 1.8081 -1132.7403 0.0000 0.0000 2700.6128 6137.9574 298.2902 3437.3446 6173.2789 294.9367 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: 5.52988, 0.0039169/step Wall: 5.52988, 0.0039169/step, 2.71855 hours remaining, 106.664062 MB of memory in use. ENERGY: 1400 669.8021 1842.6441 1928.5714 106.7645 2.2512 -1099.8180 0.0000 0.0000 2702.5328 6152.7480 298.5023 3450.2152 6185.1537 295.3058 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: 6.31429, 0.00392206/step Wall: 6.31429, 0.00392206/step, 2.72191 hours remaining, 106.667969 MB of memory in use. ENERGY: 1600 679.4668 1798.0481 1942.5709 111.3663 1.7653 -1082.0418 0.0000 0.0000 2640.3814 6091.5570 291.6375 3451.1756 6123.2921 296.0596 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: 7.09822, 0.00391967/step Wall: 7.09822, 0.00391967/step, 2.72003 hours remaining, 106.675781 MB of memory in use. ENERGY: 1800 641.5610 1834.3165 1956.8685 103.1663 1.5125 -1116.8332 0.0000 0.0000 2674.5684 6095.1600 295.4135 3420.5916 6126.1840 292.8060 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: 7.88199, 0.00391883/step Wall: 7.88199, 0.00391883/step, 2.71923 hours remaining, 106.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2000 608.4718 1841.7214 1954.0489 119.5970 1.8625 -1101.3069 0.0000 0.0000 2671.5194 6095.9140 295.0768 3424.3946 6126.9262 292.8486 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: 8.66526, 0.00391636/step Wall: 8.66526, 0.00391636/step, 2.7173 hours remaining, 106.761719 MB of memory in use. ENERGY: 2200 649.6101 1878.7507 1947.8704 113.8558 3.5277 -1119.6755 0.0000 0.0000 2617.1534 6091.0924 289.0719 3473.9391 6119.4673 293.7432 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: 9.44933, 0.00392032/step Wall: 9.44933, 0.00392032/step, 2.71983 hours remaining, 106.761719 MB of memory in use. ENERGY: 2400 629.3603 1829.1748 1946.3892 100.6962 3.5158 -1124.1280 0.0000 0.0000 2689.2972 6074.3056 297.0404 3385.0084 6106.6577 293.8718 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: 10.2336, 0.00392124/step Wall: 10.2336, 0.00392124/step, 2.72025 hours remaining, 106.761719 MB of memory in use. ENERGY: 2600 642.0512 1789.3584 1982.6681 106.0662 2.2232 -1094.7989 0.0000 0.0000 2677.6250 6105.1932 295.7511 3427.5682 6140.6056 293.8817 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: 11.0181, 0.00392274/step Wall: 11.0181, 0.00392274/step, 2.72108 hours remaining, 106.761719 MB of memory in use. ENERGY: 2800 663.6072 1867.0690 1941.6317 120.4397 2.2223 -1162.7746 0.0000 0.0000 2732.3266 6164.5220 301.7931 3432.1954 6199.4369 296.4161 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: 11.8026, 0.00392231/step Wall: 11.8026, 0.0039223/step, 2.72055 hours remaining, 106.765625 MB of memory in use. ENERGY: 3000 627.1614 1836.0264 1968.0719 110.2158 3.0792 -1081.8764 0.0000 0.0000 2653.3810 6116.0594 293.0733 3462.6784 6148.6879 295.7912 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: 12.5859, 0.00391675/step Wall: 12.5859, 0.00391675/step, 2.71649 hours remaining, 106.765625 MB of memory in use. ENERGY: 3200 688.5516 1785.1496 1984.9804 108.5951 1.7511 -1135.1619 0.0000 0.0000 2687.7766 6121.6426 296.8724 3433.8660 6156.0788 295.9105 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: 13.3706, 0.00392348/step Wall: 13.3706, 0.00392348/step, 2.72093 hours remaining, 106.765625 MB of memory in use. ENERGY: 3400 649.6639 1865.1002 1962.9950 113.0551 1.8666 -1104.1576 0.0000 0.0000 2647.9101 6136.4331 292.4690 3488.5230 6169.3367 295.1303 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: 14.155, 0.00392192/step Wall: 14.155, 0.00392192/step, 2.71964 hours remaining, 106.769531 MB of memory in use. ENERGY: 3600 688.6960 1838.2588 1969.4820 102.3879 3.2105 -1139.1855 0.0000 0.0000 2662.9757 6125.8254 294.1331 3462.8498 6157.2179 296.2579 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: 14.9453, 0.00395128/step Wall: 14.9453, 0.00395128/step, 2.73978 hours remaining, 106.773438 MB of memory in use. ENERGY: 3800 651.5172 1870.0547 1950.9304 111.3839 1.5605 -1097.8493 0.0000 0.0000 2608.5352 6096.1326 288.1200 3487.5974 6128.1950 295.6092 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: 15.7461, 0.00400402/step Wall: 15.7461, 0.00400402/step, 2.77612 hours remaining, 106.785156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 4000 655.3534 1791.8216 1956.5093 111.5423 2.3820 -1086.7931 0.0000 0.0000 2666.7420 6097.5575 294.5491 3430.8155 6131.6503 293.8049 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: 16.536, 0.00394984/step Wall: 16.536, 0.00394984/step, 2.73833 hours remaining, 106.789062 MB of memory in use. ENERGY: 4200 644.3162 1806.3269 1976.0714 107.7331 0.2757 -1111.9112 0.0000 0.0000 2715.9982 6138.8103 299.9896 3422.8121 6173.6399 294.9763 LDB: ============= START OF LOAD BALANCING ============== 19.2381 LDB: ============== END OF LOAD BALANCING =============== 19.2381 LDB: =============== DONE WITH MIGRATION ================ 19.2382 LDB: ============= START OF LOAD BALANCING ============== 19.6304 LDB: ============== END OF LOAD BALANCING =============== 19.6304 LDB: =============== DONE WITH MIGRATION ================ 19.6304 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: 17.3214, 0.00392676/step Wall: 17.3214, 0.00392676/step, 2.72211 hours remaining, 106.792969 MB of memory in use. ENERGY: 4400 679.1873 1839.2399 1956.4561 111.4007 0.7282 -1108.6880 0.0000 0.0000 2614.7342 6093.0585 288.8047 3478.3243 6123.0551 294.3818 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: 18.1057, 0.00392174/step Wall: 18.1057, 0.00392174/step, 2.71842 hours remaining, 106.792969 MB of memory in use. ENERGY: 4600 609.1705 1855.3297 1967.4466 102.8380 0.1226 -1121.9448 0.0000 0.0000 2678.9043 6091.8668 295.8924 3412.9626 6124.8029 293.3558 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: 18.8906, 0.00392423/step Wall: 18.8906, 0.00392423/step, 2.71993 hours remaining, 106.792969 MB of memory in use. ENERGY: 4800 641.5193 1850.4556 1969.7436 109.7709 0.9922 -1108.5465 0.0000 0.0000 2635.6150 6099.5501 291.1110 3463.9351 6133.7701 294.1632 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: 19.6735, 0.0039148/step Wall: 19.6735, 0.0039148/step, 2.71317 hours remaining, 106.792969 MB of memory in use. ENERGY: 5000 639.3463 1817.7363 1971.7705 102.0228 1.3770 -1075.2483 0.0000 0.0000 2664.3540 6121.3587 294.2853 3457.0047 6151.9553 292.8265 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: 20.4585, 0.00392471/step Wall: 20.4585, 0.00392471/step, 2.71983 hours remaining, 106.812500 MB of memory in use. ENERGY: 5200 663.4463 1883.4710 1966.8013 106.6216 0.5787 -1098.5810 0.0000 0.0000 2658.4234 6180.7613 293.6303 3522.3379 6212.2167 295.2983 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: 21.2434, 0.0039246/step Wall: 21.2434, 0.0039246/step, 2.71953 hours remaining, 106.812500 MB of memory in use. ENERGY: 5400 659.3584 1862.2151 1953.5421 98.8508 0.2586 -1071.8786 0.0000 0.0000 2676.7063 6179.0526 295.6497 3502.3463 6213.1246 297.7679 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: 22.0278, 0.0039221/step Wall: 22.0278, 0.0039221/step, 2.71758 hours remaining, 106.902344 MB of memory in use. ENERGY: 5600 692.1319 1804.1110 1948.3494 106.9734 -0.1453 -1083.1366 0.0000 0.0000 2754.7076 6222.9914 304.2651 3468.2838 6257.7855 298.1600 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: 22.8123, 0.00392228/step Wall: 22.8123, 0.00392228/step, 2.71749 hours remaining, 106.902344 MB of memory in use. ENERGY: 5800 655.3560 1841.4972 1930.8401 110.8611 1.7162 -1079.4028 0.0000 0.0000 2770.9701 6231.8380 306.0614 3460.8679 6266.1649 299.6255 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: 23.5949, 0.0039129/step Wall: 23.5949, 0.0039129/step, 2.71077 hours remaining, 106.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 6000 689.7374 1888.1004 1949.3221 110.1411 0.9156 -1060.8861 0.0000 0.0000 2694.3351 6271.6657 297.5968 3577.3306 6305.6378 301.2346 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: 24.3792, 0.00392157/step Wall: 24.3792, 0.00392157/step, 2.71656 hours remaining, 106.902344 MB of memory in use. ENERGY: 6200 676.0867 1848.2680 1997.2083 107.7006 1.5971 -1102.1682 0.0000 0.0000 2713.0260 6241.7185 299.6613 3528.6925 6276.0278 301.7290 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: 25.1798, 0.00400316/step Wall: 25.1798, 0.00400316/step, 2.77286 hours remaining, 107.113281 MB of memory in use. ENERGY: 6400 656.6160 1899.4762 1963.3077 97.5827 -0.7091 -1075.5784 0.0000 0.0000 2729.0641 6269.7592 301.4327 3540.6951 6303.3155 300.8751 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: 25.9769, 0.00398535/step Wall: 25.9769, 0.00398535/step, 2.76029 hours remaining, 107.113281 MB of memory in use. ENERGY: 6600 656.3796 1876.2895 2002.2665 95.4804 1.3646 -1079.9190 0.0000 0.0000 2713.1268 6264.9884 299.6724 3551.8615 6296.0850 300.8045 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: 26.7612, 0.00392163/step Wall: 26.7612, 0.00392163/step, 2.71594 hours remaining, 107.113281 MB of memory in use. ENERGY: 6800 675.9006 1779.2468 1951.1641 97.4214 -0.5044 -1060.2413 0.0000 0.0000 2782.0221 6225.0094 307.2821 3442.9873 6260.5660 302.0613 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: 27.5424, 0.0039062/step Wall: 27.5424, 0.0039062/step, 2.70505 hours remaining, 107.117188 MB of memory in use. ENERGY: 7000 637.1425 1847.0036 1971.7002 117.4460 -0.6952 -1064.4540 0.0000 0.0000 2705.6190 6213.7621 298.8432 3508.1431 6245.4786 299.6391 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: 28.3253, 0.00391433/step Wall: 28.3253, 0.00391433/step, 2.71045 hours remaining, 107.121094 MB of memory in use. ENERGY: 7200 654.4700 1872.1277 1946.5694 109.5655 -0.5631 -1092.8293 0.0000 0.0000 2750.0423 6239.3825 303.7498 3489.3402 6271.1412 301.1163 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: 29.1081, 0.00391405/step Wall: 29.1081, 0.00391405/step, 2.71005 hours remaining, 107.121094 MB of memory in use. ENERGY: 7400 676.4170 1831.1946 1940.3401 107.3667 1.2607 -1128.0598 0.0000 0.0000 2759.9111 6188.4304 304.8399 3428.5193 6220.3612 301.7206 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: 29.8906, 0.00391217/step Wall: 29.8906, 0.00391217/step, 2.70853 hours remaining, 107.121094 MB of memory in use. ENERGY: 7600 626.7061 1891.2856 1978.2281 108.6816 1.8654 -1068.8593 0.0000 0.0000 2717.7375 6255.6451 300.1817 3537.9075 6288.0383 299.9310 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: 30.6718, 0.00390628/step Wall: 30.6718, 0.00390628/step, 2.70423 hours remaining, 107.125000 MB of memory in use. ENERGY: 7800 654.4077 1897.4726 1935.1274 99.2534 0.4506 -1055.9536 0.0000 0.0000 2733.3179 6264.0762 301.9026 3530.7582 6298.7564 301.0956 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: 31.4544, 0.0039131/step Wall: 31.4544, 0.0039131/step, 2.70873 hours remaining, 107.128906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 8000 642.4930 1886.2665 1990.5423 109.5940 1.9018 -1096.4798 0.0000 0.0000 2748.9641 6283.2819 303.6307 3534.3178 6318.8406 305.0203 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: 32.2371, 0.00391312/step Wall: 32.2371, 0.00391312/step, 2.70853 hours remaining, 107.132812 MB of memory in use. ENERGY: 8200 695.4172 1848.4457 1981.6500 108.6998 1.8000 -1093.7034 0.0000 0.0000 2722.8122 6265.1215 300.7422 3542.3094 6297.0781 303.6224 LDB: ============= START OF LOAD BALANCING ============== 34.937 LDB: ============== END OF LOAD BALANCING =============== 34.9371 LDB: =============== DONE WITH MIGRATION ================ 34.9372 LDB: ============= START OF LOAD BALANCING ============== 35.3298 LDB: ============== END OF LOAD BALANCING =============== 35.3298 LDB: =============== DONE WITH MIGRATION ================ 35.3299 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: 33.0208, 0.00391876/step Wall: 33.0208, 0.00391876/step, 2.71222 hours remaining, 107.136719 MB of memory in use. ENERGY: 8400 685.4079 1829.6097 1967.4794 126.5254 2.1842 -1091.1972 0.0000 0.0000 2785.0975 6305.1070 307.6218 3520.0095 6342.1111 303.9084 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: 33.8037, 0.00391465/step Wall: 33.8037, 0.00391465/step, 2.70915 hours remaining, 107.140625 MB of memory in use. ENERGY: 8600 669.4240 1855.7009 1997.4098 120.4291 1.9469 -1085.5734 0.0000 0.0000 2796.4340 6355.7714 308.8739 3559.3374 6390.0795 306.6655 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: 34.5849, 0.00390574/step Wall: 34.5849, 0.00390574/step, 2.70277 hours remaining, 107.140625 MB of memory in use. ENERGY: 8800 703.4898 1868.3078 1975.6116 110.8722 1.8657 -1088.0622 0.0000 0.0000 2718.4758 6290.5607 300.2632 3572.0849 6324.2921 306.5413 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: 35.3678, 0.0039144/step Wall: 35.3678, 0.0039144/step, 2.70855 hours remaining, 107.140625 MB of memory in use. ENERGY: 9000 668.3827 1868.5371 1955.9353 96.7455 2.3367 -1069.5394 0.0000 0.0000 2797.9669 6320.3647 309.0432 3522.3978 6357.1816 304.5718 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: 36.1523, 0.00392256/step Wall: 36.1523, 0.00392256/step, 2.71398 hours remaining, 107.144531 MB of memory in use. ENERGY: 9200 667.9433 1882.6219 1987.6080 111.7401 1.9959 -1085.2600 0.0000 0.0000 2758.1625 6324.8118 304.6467 3566.6493 6358.5075 304.3845 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: 36.9354, 0.00391569/step Wall: 36.9354, 0.00391569/step, 2.709 hours remaining, 107.148438 MB of memory in use. ENERGY: 9400 689.2326 1860.4077 2017.2526 107.0676 1.3554 -1112.0973 0.0000 0.0000 2685.8475 6249.0660 296.6593 3563.2185 6278.7023 303.2155 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: 37.7173, 0.00390925/step Wall: 37.7173, 0.00390925/step, 2.70433 hours remaining, 107.148438 MB of memory in use. ENERGY: 9600 618.5139 1857.3040 2000.3128 105.9172 1.5015 -1125.7802 0.0000 0.0000 2836.8054 6294.5747 313.3331 3457.7692 6331.3486 302.6603 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: 38.5006, 0.00391653/step Wall: 38.5006, 0.00391653/step, 2.70915 hours remaining, 107.152344 MB of memory in use. ENERGY: 9800 673.6560 1875.1726 1978.0014 111.6493 1.4496 -1098.4154 0.0000 0.0000 2714.2984 6255.8120 299.8018 3541.5135 6287.4466 304.7201 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: 39.2839, 0.00391654/step Wall: 39.2839, 0.00391655/step, 2.70895 hours remaining, 107.652344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 10000 692.9125 1816.7981 2005.2919 115.2409 0.9963 -1084.2461 0.0000 0.0000 2702.3358 6249.3295 298.4805 3546.9937 6277.8513 302.5024 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 10000 OPENING COORDINATE DCD FILE WRITING COORDINATES TO DCD FILE MD.1.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, 107.742 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 10000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=10000) takes 0.010 seconds, 107.789 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: 40.6466, 0.00681378/step Wall: 40.6466, 0.00681378/step, 4.71249 hours remaining, 107.789062 MB of memory in use. ENERGY: 10200 627.1186 1852.1625 1966.7560 113.3368 1.6580 -1072.3761 0.0000 0.0000 2722.1124 6210.7683 300.6649 3488.6559 6244.6669 301.0476 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: 41.4322, 0.00392758/step Wall: 41.4322, 0.00392758/step, 2.71614 hours remaining, 107.792969 MB of memory in use. ENERGY: 10400 634.1380 1871.5141 1984.9975 108.0939 1.0910 -1104.7216 0.0000 0.0000 2724.6136 6219.7264 300.9412 3495.1128 6253.6802 298.8417 PRESSURE: 10600 0 0 0 0 0 0 0 0 0 GPRESSURE: 10600 0 0 0 0 0 0 0 0 0 PRESSAVG: 10600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 10600 0 0 0 0 0 0 0 0 0 TIMING: 10600 CPU: 42.2158, 0.00391828/step Wall: 42.2158, 0.00391828/step, 2.70949 hours remaining, 107.796875 MB of memory in use. ENERGY: 10600 662.1699 1863.1044 1972.3948 112.8473 1.9067 -1113.3888 0.0000 0.0000 2771.1840 6270.2185 306.0850 3499.0344 6301.5829 301.7788 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: 42.9992, 0.0039169/step Wall: 42.9992, 0.0039169/step, 2.70832 hours remaining, 107.796875 MB of memory in use. ENERGY: 10800 639.1011 1877.8830 1965.9719 99.7462 0.9511 -1073.5502 0.0000 0.0000 2696.3213 6206.4242 297.8162 3510.1029 6241.8205 301.6098 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: 43.7825, 0.00391636/step Wall: 43.7825, 0.00391636/step, 2.70773 hours remaining, 107.796875 MB of memory in use. ENERGY: 11000 675.7586 1878.5851 1964.2741 112.1152 0.7343 -1113.0995 0.0000 0.0000 2703.3330 6221.7008 298.5907 3518.3678 6256.1287 299.4311 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: 44.5644, 0.00390961/step Wall: 44.5644, 0.00390961/step, 2.70285 hours remaining, 107.796875 MB of memory in use. ENERGY: 11200 664.1844 1819.7525 1984.3110 107.6235 1.6984 -1130.1315 0.0000 0.0000 2714.3230 6161.7613 299.8045 3447.4384 6195.5905 298.5093 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: 45.3476, 0.00391593/step Wall: 45.3476, 0.00391593/step, 2.707 hours remaining, 107.796875 MB of memory in use. ENERGY: 11400 629.0602 1868.1215 1973.6411 109.6985 2.3332 -1084.5012 0.0000 0.0000 2721.6382 6219.9915 300.6125 3498.3533 6255.5859 298.4299 PRESSURE: 11600 0 0 0 0 0 0 0 0 0 GPRESSURE: 11600 0 0 0 0 0 0 0 0 0 PRESSAVG: 11600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 11600 0 0 0 0 0 0 0 0 0 TIMING: 11600 CPU: 46.1308, 0.00391613/step Wall: 46.1308, 0.00391613/step, 2.70692 hours remaining, 107.796875 MB of memory in use. ENERGY: 11600 624.5413 1850.6028 1961.2974 107.4854 0.4383 -1103.0265 0.0000 0.0000 2737.3098 6178.6485 302.3435 3441.3388 6212.2040 298.7784 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: 46.9144, 0.00391816/step Wall: 46.9144, 0.00391816/step, 2.70811 hours remaining, 107.796875 MB of memory in use. ENERGY: 11800 676.7211 1860.8142 1965.3365 106.6336 2.1200 -1098.0441 0.0000 0.0000 2681.9249 6195.5061 296.2261 3513.5812 6228.5222 298.5678 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: 47.6967, 0.00391159/step Wall: 47.6967, 0.00391159/step, 2.70334 hours remaining, 107.796875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 12000 686.0055 1841.7913 1963.1231 105.6804 2.3573 -1061.1153 0.0000 0.0000 2664.5041 6202.3464 294.3019 3537.8423 6235.6812 298.1727 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: 48.4806, 0.00391944/step Wall: 48.4806, 0.00391944/step, 2.70855 hours remaining, 107.804688 MB of memory in use. ENERGY: 12200 701.1608 1891.9187 1950.7945 100.3995 0.7801 -1078.5680 0.0000 0.0000 2720.3463 6286.8319 300.4698 3566.4855 6319.0563 301.6731 LDB: ============= START OF LOAD BALANCING ============== 51.1823 LDB: ============== END OF LOAD BALANCING =============== 51.1823 LDB: =============== DONE WITH MIGRATION ================ 51.1824 LDB: ============= START OF LOAD BALANCING ============== 51.5741 LDB: ============== END OF LOAD BALANCING =============== 51.5741 LDB: =============== DONE WITH MIGRATION ================ 51.5742 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: 49.2652, 0.00392269/step Wall: 49.2652, 0.00392269/step, 2.71058 hours remaining, 107.804688 MB of memory in use. ENERGY: 12400 690.6811 1865.6075 1989.7548 117.6665 1.9895 -1084.7201 0.0000 0.0000 2723.4473 6304.4266 300.8123 3580.9793 6341.6966 303.2469 PRESSURE: 12600 0 0 0 0 0 0 0 0 0 GPRESSURE: 12600 0 0 0 0 0 0 0 0 0 PRESSAVG: 12600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 12600 0 0 0 0 0 0 0 0 0 TIMING: 12600 CPU: 50.049, 0.00391914/step Wall: 50.049, 0.00391914/step, 2.70791 hours remaining, 107.804688 MB of memory in use. ENERGY: 12600 673.8661 1890.4467 1979.2202 112.2792 1.4504 -1126.4493 0.0000 0.0000 2686.0221 6216.8355 296.6786 3530.8134 6250.1698 302.4911 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: 50.8331, 0.00392063/step Wall: 50.8331, 0.00392062/step, 2.70872 hours remaining, 107.804688 MB of memory in use. ENERGY: 12800 656.9789 1813.7819 1987.1858 107.0247 0.6602 -1098.8459 0.0000 0.0000 2783.7615 6250.5471 307.4742 3466.7856 6288.6270 302.5476 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: 51.6156, 0.00391236/step Wall: 51.6156, 0.00391236/step, 2.70279 hours remaining, 107.804688 MB of memory in use. ENERGY: 13000 661.6649 1889.6450 1947.8143 110.9918 0.7940 -1074.6388 0.0000 0.0000 2742.3005 6278.5717 302.8947 3536.2712 6313.9044 303.4411 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: 52.3992, 0.00391801/step Wall: 52.3992, 0.00391801/step, 2.70648 hours remaining, 107.804688 MB of memory in use. ENERGY: 13200 651.0934 1822.7169 1986.7273 115.8621 0.9254 -1082.0073 0.0000 0.0000 2734.3398 6229.6574 302.0154 3495.3176 6264.8177 301.9920 PRESSURE: 13400 0 0 0 0 0 0 0 0 0 GPRESSURE: 13400 0 0 0 0 0 0 0 0 0 PRESSAVG: 13400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 13400 0 0 0 0 0 0 0 0 0 TIMING: 13400 CPU: 53.1826, 0.00391683/step Wall: 53.1826, 0.00391683/step, 2.70544 hours remaining, 107.816406 MB of memory in use. ENERGY: 13400 669.4245 1831.9697 1945.1391 112.4288 2.1120 -1086.0844 0.0000 0.0000 2712.1769 6187.1665 299.5675 3474.9896 6220.4245 298.7435 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: 53.966, 0.00391739/step Wall: 53.966, 0.00391739/step, 2.70561 hours remaining, 107.820312 MB of memory in use. ENERGY: 13600 630.9522 1823.8399 1959.6445 91.6540 3.3815 -1099.1674 0.0000 0.0000 2728.4252 6138.7300 301.3622 3410.3047 6173.1172 297.6983 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: 54.7485, 0.00391215/step Wall: 54.7485, 0.00391215/step, 2.70177 hours remaining, 107.820312 MB of memory in use. ENERGY: 13800 613.2775 1857.6470 1998.1556 107.3880 1.7035 -1059.8290 0.0000 0.0000 2642.5426 6160.8854 291.8762 3518.3428 6193.6112 295.9277 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: 55.5323, 0.00391904/step Wall: 55.5323, 0.00391904/step, 2.70632 hours remaining, 107.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 14000 636.3513 1834.8447 1958.1229 95.0803 2.5046 -1064.1411 0.0000 0.0000 2768.4199 6231.1826 305.7797 3462.7627 6264.0688 299.7645 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: 56.3156, 0.00391654/step Wall: 56.3156, 0.00391654/step, 2.70437 hours remaining, 107.820312 MB of memory in use. ENERGY: 14200 678.8669 1890.5682 1990.9510 106.2493 0.3226 -1114.6029 0.0000 0.0000 2687.2334 6239.5885 296.8124 3552.3551 6271.3544 299.8085 PRESSURE: 14400 0 0 0 0 0 0 0 0 0 GPRESSURE: 14400 0 0 0 0 0 0 0 0 0 PRESSAVG: 14400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 14400 0 0 0 0 0 0 0 0 0 TIMING: 14400 CPU: 57.0988, 0.00391602/step Wall: 57.0988, 0.00391602/step, 2.70379 hours remaining, 107.820312 MB of memory in use. ENERGY: 14400 670.0679 1844.6301 1995.6876 113.3379 3.0073 -1095.5618 0.0000 0.0000 2734.9393 6266.1083 302.0817 3531.1690 6298.5215 302.1906 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: 57.8819, 0.00391555/step Wall: 57.8819, 0.00391555/step, 2.70325 hours remaining, 107.820312 MB of memory in use. ENERGY: 14600 674.6679 1839.4498 1962.1304 107.1029 2.2999 -1061.0485 0.0000 0.0000 2735.3529 6259.9552 302.1273 3524.6024 6292.7545 303.8799 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: 58.6641, 0.00391106/step Wall: 58.6641, 0.00391106/step, 2.69994 hours remaining, 107.820312 MB of memory in use. ENERGY: 14800 668.4903 1857.0540 1964.5389 107.1455 3.4335 -1104.2646 0.0000 0.0000 2743.9659 6240.3636 303.0787 3496.3976 6270.3972 301.3991 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: 59.4474, 0.00391661/step Wall: 59.4474, 0.00391661/step, 2.70355 hours remaining, 107.820312 MB of memory in use. ENERGY: 15000 685.5203 1830.6742 1997.1716 98.5277 2.0962 -1086.6018 0.0000 0.0000 2685.1520 6212.5401 296.5825 3527.3882 6244.8469 299.6895 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: 60.2306, 0.00391564/step Wall: 60.2306, 0.00391564/step, 2.70267 hours remaining, 107.820312 MB of memory in use. ENERGY: 15200 680.8343 1851.8261 1981.2231 107.5295 3.0949 -1107.7884 0.0000 0.0000 2696.3573 6213.0767 297.8202 3516.7194 6248.9484 298.4280 PRESSURE: 15400 0 0 0 0 0 0 0 0 0 GPRESSURE: 15400 0 0 0 0 0 0 0 0 0 PRESSAVG: 15400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 15400 0 0 0 0 0 0 0 0 0 TIMING: 15400 CPU: 61.0142, 0.00391827/step Wall: 61.0142, 0.00391826/step, 2.70425 hours remaining, 107.820312 MB of memory in use. ENERGY: 15400 678.2868 1833.8777 1965.6811 99.0021 2.8529 -1095.6366 0.0000 0.0000 2686.7199 6170.7839 296.7557 3484.0640 6203.3911 297.1787 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: 61.7967, 0.00391215/step Wall: 61.7967, 0.00391216/step, 2.69982 hours remaining, 107.820312 MB of memory in use. ENERGY: 15600 676.5195 1822.6411 1986.1318 102.1159 1.6639 -1103.0345 0.0000 0.0000 2760.2154 6246.2532 304.8735 3486.0377 6279.1185 298.9737 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: 62.5797, 0.00391507/step Wall: 62.5797, 0.00391507/step, 2.70162 hours remaining, 107.820312 MB of memory in use. ENERGY: 15800 663.1805 1888.7002 1971.6938 119.6756 1.5493 -1099.3114 0.0000 0.0000 2710.8209 6256.3088 299.4177 3545.4879 6286.2148 302.1975 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: 63.3632, 0.00391775/step Wall: 63.3632, 0.00391775/step, 2.70324 hours remaining, 107.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 16000 662.4095 1827.7290 1981.9537 116.2423 0.4310 -1099.3619 0.0000 0.0000 2728.9090 6218.3126 301.4156 3489.4036 6245.9095 300.5276 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: 64.1492, 0.00393002/step Wall: 64.1492, 0.00393002/step, 2.7115 hours remaining, 107.828125 MB of memory in use. ENERGY: 16200 645.5258 1845.0849 1976.5156 112.0137 1.8964 -1105.0111 0.0000 0.0000 2707.4702 6183.4956 299.0476 3476.0254 6219.0818 299.8297 LDB: ============= START OF LOAD BALANCING ============== 66.8501 LDB: ============== END OF LOAD BALANCING =============== 66.8501 LDB: =============== DONE WITH MIGRATION ================ 66.8502 LDB: ============= START OF LOAD BALANCING ============== 67.2433 LDB: ============== END OF LOAD BALANCING =============== 67.2433 LDB: =============== DONE WITH MIGRATION ================ 67.2434 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: 64.9343, 0.0039256/step Wall: 64.9343, 0.0039256/step, 2.70823 hours remaining, 107.832031 MB of memory in use. ENERGY: 16400 649.6174 1847.8951 1987.9211 102.0037 2.3544 -1089.0250 0.0000 0.0000 2708.7614 6209.5280 299.1902 3500.7666 6240.8791 296.3543 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: 65.7167, 0.00391178/step Wall: 65.7167, 0.00391178/step, 2.69848 hours remaining, 107.832031 MB of memory in use. ENERGY: 16600 642.7605 1803.1115 1975.7293 116.9876 2.2769 -1051.3351 0.0000 0.0000 2703.5894 6193.1203 298.6190 3489.5309 6225.8189 298.2040 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: 66.5, 0.00391629/step Wall: 66.5, 0.00391629/step, 2.70137 hours remaining, 107.835938 MB of memory in use. ENERGY: 16800 612.9112 1852.7803 1966.6327 106.2453 1.9505 -1058.3336 0.0000 0.0000 2615.8261 6098.0125 288.9253 3482.1864 6128.9543 295.7362 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: 67.2832, 0.00391611/step Wall: 67.2832, 0.00391611/step, 2.70102 hours remaining, 107.843750 MB of memory in use. ENERGY: 17000 654.0092 1850.4828 1986.0919 107.2313 1.4383 -1133.5968 0.0000 0.0000 2692.8195 6158.4762 297.4294 3465.6567 6189.3896 296.4864 PRESSURE: 17200 0 0 0 0 0 0 0 0 0 GPRESSURE: 17200 0 0 0 0 0 0 0 0 0 PRESSAVG: 17200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 17200 0 0 0 0 0 0 0 0 0 TIMING: 17200 CPU: 68.0665, 0.00391665/step Wall: 68.0665, 0.00391665/step, 2.70118 hours remaining, 107.843750 MB of memory in use. ENERGY: 17200 669.9288 1832.3463 1962.9657 98.8021 1.4507 -1112.0346 0.0000 0.0000 2699.4697 6152.9288 298.1639 3453.4591 6185.5643 297.3584 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: 68.8499, 0.00391685/step Wall: 68.8499, 0.00391685/step, 2.7011 hours remaining, 107.843750 MB of memory in use. ENERGY: 17400 643.3724 1803.2676 1970.6312 91.4628 1.4464 -1107.8998 0.0000 0.0000 2698.5749 6100.8554 298.0651 3402.2805 6132.7229 294.4115 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: 69.6318, 0.00390985/step Wall: 69.6318, 0.00390985/step, 2.69606 hours remaining, 107.843750 MB of memory in use. ENERGY: 17600 630.5521 1811.7523 2005.4960 115.2979 1.9597 -1124.3588 0.0000 0.0000 2658.1570 6098.8563 293.6009 3440.6992 6132.0675 293.8379 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: 70.4155, 0.00391804/step Wall: 70.4155, 0.00391804/step, 2.70149 hours remaining, 107.843750 MB of memory in use. ENERGY: 17800 662.7290 1820.9429 1972.3494 99.3323 2.2103 -1116.1204 0.0000 0.0000 2665.8126 6107.2562 294.4464 3441.4436 6138.1023 293.7793 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: 71.1989, 0.0039171/step Wall: 71.1989, 0.0039171/step, 2.70062 hours remaining, 107.843750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 18000 634.4992 1784.4007 1942.3135 102.3583 3.7220 -1068.0584 0.0000 0.0000 2685.5597 6084.7949 296.6275 3399.2352 6117.9929 293.9615 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: 71.9823, 0.00391701/step Wall: 71.9823, 0.00391702/step, 2.70035 hours remaining, 107.843750 MB of memory in use. ENERGY: 18200 634.6852 1837.1880 1956.6376 107.8327 1.7151 -1084.0721 0.0000 0.0000 2660.3019 6114.2884 293.8378 3453.9865 6144.3411 292.1397 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: 72.7644, 0.00391056/step Wall: 72.7644, 0.00391056/step, 2.69568 hours remaining, 107.847656 MB of memory in use. ENERGY: 18400 622.3950 1803.5518 1967.2533 111.1703 2.4775 -1098.1032 0.0000 0.0000 2666.9905 6075.7351 294.5765 3408.7446 6110.0056 294.5844 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: 73.5481, 0.00391834/step Wall: 73.5481, 0.00391834/step, 2.70082 hours remaining, 107.847656 MB of memory in use. ENERGY: 18600 662.5980 1815.2353 1988.0805 113.0743 1.4617 -1103.7417 0.0000 0.0000 2669.7276 6146.4358 294.8789 3476.7082 6178.3791 294.6291 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: 74.3316, 0.00391791/step Wall: 74.3316, 0.00391791/step, 2.70031 hours remaining, 107.855469 MB of memory in use. ENERGY: 18800 676.4221 1843.0092 1961.2158 110.2109 1.6417 -1105.0772 0.0000 0.0000 2615.1194 6102.5419 288.8472 3487.4225 6132.7790 293.8712 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: 75.1149, 0.00391644/step Wall: 75.1149, 0.00391644/step, 2.69908 hours remaining, 107.859375 MB of memory in use. ENERGY: 19000 620.7144 1819.9721 1960.0909 102.6758 1.9455 -1078.4196 0.0000 0.0000 2686.3548 6113.3338 296.7154 3426.9790 6146.7858 293.7566 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: 75.8993, 0.00392189/step Wall: 75.8993, 0.00392189/step, 2.70262 hours remaining, 107.859375 MB of memory in use. ENERGY: 19200 663.6398 1810.2129 1953.6981 107.9724 1.7791 -1054.7204 0.0000 0.0000 2670.3017 6152.8834 294.9423 3482.5817 6186.1214 295.9820 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: 76.6817, 0.00391178/step Wall: 76.6817, 0.00391178/step, 2.69543 hours remaining, 107.863281 MB of memory in use. ENERGY: 19400 640.9786 1885.7957 1989.8073 112.8310 2.8444 -1069.8898 0.0000 0.0000 2670.8271 6233.1943 295.0003 3562.3672 6265.8745 297.3382 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: 77.465, 0.00391684/step Wall: 77.465, 0.00391685/step, 2.69871 hours remaining, 107.863281 MB of memory in use. ENERGY: 19600 682.7498 1855.9006 1988.6118 112.1139 1.5834 -1103.4770 0.0000 0.0000 2715.4717 6252.9541 299.9314 3537.4824 6287.3225 301.5254 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: 78.2484, 0.00391697/step Wall: 78.2484, 0.00391697/step, 2.69858 hours remaining, 107.863281 MB of memory in use. ENERGY: 19800 683.5984 1891.2528 1974.0191 107.2921 1.0778 -1077.7920 0.0000 0.0000 2715.1818 6294.6299 299.8994 3579.4481 6327.2548 302.9485 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: 79.0322, 0.00391901/step Wall: 79.0322, 0.00391901/step, 2.69976 hours remaining, 107.960938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 20000 672.2273 1868.3998 1957.8280 106.3254 0.7524 -1087.0445 0.0000 0.0000 2750.4091 6268.8975 303.7903 3518.4884 6301.2971 303.4384 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 20000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 20000 WRITING COORDINATES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART COORDINATES The last position output (seq=20000) takes 0.018 seconds, 107.961 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 20000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=20000) takes 0.007 seconds, 107.961 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: 80.4173, 0.00692522/step Wall: 80.4173, 0.00692522/step, 4.77032 hours remaining, 107.960938 MB of memory in use. ENERGY: 20200 627.0323 1893.9896 1987.8714 111.1037 1.4948 -1100.6583 0.0000 0.0000 2705.2133 6226.0468 298.7983 3520.8335 6259.8682 303.7475 LDB: ============= START OF LOAD BALANCING ============== 83.1175 LDB: ============== END OF LOAD BALANCING =============== 83.1175 LDB: =============== DONE WITH MIGRATION ================ 83.1176 LDB: ============= START OF LOAD BALANCING ============== 83.5104 LDB: ============== END OF LOAD BALANCING =============== 83.5105 LDB: =============== DONE WITH MIGRATION ================ 83.5105 PRESSURE: 20400 0 0 0 0 0 0 0 0 0 GPRESSURE: 20400 0 0 0 0 0 0 0 0 0 PRESSAVG: 20400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 20400 0 0 0 0 0 0 0 0 0 TIMING: 20400 CPU: 81.2015, 0.0039211/step Wall: 81.2015, 0.0039211/step, 2.70076 hours remaining, 107.960938 MB of memory in use. ENERGY: 20400 665.8105 1906.0968 1953.0566 106.6791 2.1377 -1091.2778 0.0000 0.0000 2739.7496 6282.2525 302.6130 3542.5029 6314.7140 300.4585 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: 81.9849, 0.00391729/step Wall: 81.9849, 0.00391729/step, 2.69792 hours remaining, 107.960938 MB of memory in use. ENERGY: 20600 630.9722 1903.2471 1970.1627 109.6322 2.3611 -1124.1673 0.0000 0.0000 2826.3603 6318.5685 312.1794 3492.2082 6353.1437 304.6008 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: 82.7674, 0.00391235/step Wall: 82.7674, 0.00391235/step, 2.69431 hours remaining, 107.960938 MB of memory in use. ENERGY: 20800 638.7993 1898.8560 1959.8165 121.6842 2.8658 -1096.6310 0.0000 0.0000 2708.6325 6234.0232 299.1760 3525.3908 6266.2967 303.5139 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: 83.5506, 0.00391596/step Wall: 83.5506, 0.00391596/step, 2.69657 hours remaining, 107.960938 MB of memory in use. ENERGY: 21000 668.0642 1860.8223 1943.0099 116.8711 1.4199 -1068.1849 0.0000 0.0000 2731.9291 6253.9317 301.7492 3522.0026 6284.6173 301.0849 PRESSURE: 21200 0 0 0 0 0 0 0 0 0 GPRESSURE: 21200 0 0 0 0 0 0 0 0 0 PRESSAVG: 21200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21200 0 0 0 0 0 0 0 0 0 TIMING: 21200 CPU: 84.334, 0.00391695/step Wall: 84.334, 0.00391695/step, 2.69704 hours remaining, 107.960938 MB of memory in use. ENERGY: 21200 664.6858 1844.8737 1984.1701 100.1194 0.0559 -1063.2566 0.0000 0.0000 2739.1503 6269.7987 302.5468 3530.6484 6301.4131 302.4685 PRESSURE: 21400 0 0 0 0 0 0 0 0 0 GPRESSURE: 21400 0 0 0 0 0 0 0 0 0 PRESSAVG: 21400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 21400 0 0 0 0 0 0 0 0 0 TIMING: 21400 CPU: 85.1172, 0.00391621/step Wall: 85.1172, 0.00391622/step, 2.69631 hours remaining, 107.960938 MB of memory in use. ENERGY: 21400 641.1209 1841.9518 1986.1801 106.8317 1.4939 -1075.3488 0.0000 0.0000 2775.2862 6277.5158 306.5381 3502.2296 6311.2867 301.7809 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: 85.9008, 0.00391781/step Wall: 85.9008, 0.00391781/step, 2.69719 hours remaining, 107.960938 MB of memory in use. ENERGY: 21600 623.7998 1843.1102 1995.5807 114.5138 2.4951 -1050.9713 0.0000 0.0000 2748.9895 6277.5178 303.6335 3528.5283 6313.9062 302.8591 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: 86.6832, 0.00391219/step Wall: 86.6832, 0.00391219/step, 2.69311 hours remaining, 107.960938 MB of memory in use. ENERGY: 21800 659.8780 1870.7461 1954.6795 109.1291 3.1211 -1090.5908 0.0000 0.0000 2766.0698 6273.0326 305.5201 3506.9628 6305.3934 302.1115 PRESSURE: 22000 0 0 0 0 0 0 0 0 0 GPRESSURE: 22000 0 0 0 0 0 0 0 0 0 PRESSAVG: 22000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22000 0 0 0 0 0 0 0 0 0 TIMING: 22000 CPU: 87.4669, 0.00391849/step Wall: 87.4669, 0.00391848/step, 2.69722 hours remaining, 107.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 22000 657.7729 1891.2037 1954.8280 104.5793 2.2742 -1063.9284 0.0000 0.0000 2752.0284 6298.7582 303.9692 3546.7298 6328.7589 301.8357 PRESSURE: 22200 0 0 0 0 0 0 0 0 0 GPRESSURE: 22200 0 0 0 0 0 0 0 0 0 PRESSAVG: 22200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22200 0 0 0 0 0 0 0 0 0 TIMING: 22200 CPU: 88.2506, 0.00391832/step Wall: 88.2506, 0.00391833/step, 2.6969 hours remaining, 107.976562 MB of memory in use. ENERGY: 22200 672.4609 1823.0002 1979.9344 103.3404 1.3052 -1040.5388 0.0000 0.0000 2741.3197 6280.8219 302.7864 3539.5022 6312.3735 303.9097 PRESSURE: 22400 0 0 0 0 0 0 0 0 0 GPRESSURE: 22400 0 0 0 0 0 0 0 0 0 PRESSAVG: 22400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 22400 0 0 0 0 0 0 0 0 0 TIMING: 22400 CPU: 89.0346, 0.00391991/step Wall: 89.0346, 0.00391991/step, 2.69777 hours remaining, 107.980469 MB of memory in use. ENERGY: 22400 649.1127 1822.7399 1959.9148 107.7632 2.0910 -1045.5286 0.0000 0.0000 2764.4052 6260.4982 305.3363 3496.0931 6293.8419 304.0282 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: 89.8172, 0.00391282/step Wall: 89.8172, 0.00391282/step, 2.69268 hours remaining, 107.980469 MB of memory in use. ENERGY: 22600 680.3303 1855.2860 1995.0300 109.9846 0.4043 -1079.5585 0.0000 0.0000 2678.5681 6240.0449 295.8553 3561.4767 6272.0187 300.7383 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: 90.6009, 0.00391886/step Wall: 90.6009, 0.00391886/step, 2.69661 hours remaining, 107.980469 MB of memory in use. ENERGY: 22800 646.6365 1928.8505 1969.9414 99.9686 2.3544 -1075.6757 0.0000 0.0000 2698.4107 6270.4864 298.0470 3572.0757 6302.7677 301.2533 PRESSURE: 23000 0 0 0 0 0 0 0 0 0 GPRESSURE: 23000 0 0 0 0 0 0 0 0 0 PRESSAVG: 23000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23000 0 0 0 0 0 0 0 0 0 TIMING: 23000 CPU: 91.3848, 0.0039194/step Wall: 91.3848, 0.0039194/step, 2.69676 hours remaining, 107.980469 MB of memory in use. ENERGY: 23000 661.3491 1819.1181 1964.7261 101.5251 1.2143 -1062.1997 0.0000 0.0000 2713.0278 6198.7608 299.6615 3485.7331 6230.3490 299.8637 PRESSURE: 23200 0 0 0 0 0 0 0 0 0 GPRESSURE: 23200 0 0 0 0 0 0 0 0 0 PRESSAVG: 23200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 23200 0 0 0 0 0 0 0 0 0 TIMING: 23200 CPU: 92.1684, 0.00391797/step Wall: 92.1684, 0.00391797/step, 2.69556 hours remaining, 107.980469 MB of memory in use. ENERGY: 23200 648.4007 1807.3012 1942.8751 106.7762 1.4717 -1080.9810 0.0000 0.0000 2735.9906 6161.8345 302.1978 3425.8440 6193.4883 298.2423 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: 92.9525, 0.00392044/step Wall: 92.9525, 0.00392044/step, 2.69705 hours remaining, 108.062500 MB of memory in use. ENERGY: 23400 645.5285 1869.8780 1963.5691 111.5312 1.4378 -1113.3713 0.0000 0.0000 2672.8622 6151.4355 295.2251 3478.5733 6183.4772 296.7668 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: 93.735, 0.00391255/step Wall: 93.735, 0.00391255/step, 2.6914 hours remaining, 108.062500 MB of memory in use. ENERGY: 23600 643.3944 1892.6678 1948.4358 103.2358 1.5378 -1089.9838 0.0000 0.0000 2691.5161 6190.8040 297.2855 3499.2879 6221.9435 296.8562 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: 94.5192, 0.00392116/step Wall: 94.5192, 0.00392116/step, 2.6971 hours remaining, 108.062500 MB of memory in use. ENERGY: 23800 688.6102 1878.4435 1931.5449 102.7808 0.8988 -1095.1161 0.0000 0.0000 2707.6068 6214.7689 299.0627 3507.1621 6245.5936 299.7883 PRESSURE: 24000 0 0 0 0 0 0 0 0 0 GPRESSURE: 24000 0 0 0 0 0 0 0 0 0 PRESSAVG: 24000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24000 0 0 0 0 0 0 0 0 0 TIMING: 24000 CPU: 95.3029, 0.00391849/step Wall: 95.3029, 0.00391849/step, 2.69505 hours remaining, 108.062500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 24000 648.2726 1849.6165 1976.2869 107.5667 0.6373 -1082.8624 0.0000 0.0000 2667.1951 6166.7127 294.5991 3499.5175 6198.2056 298.8386 PRESSURE: 24200 0 0 0 0 0 0 0 0 0 GPRESSURE: 24200 0 0 0 0 0 0 0 0 0 PRESSAVG: 24200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 24200 0 0 0 0 0 0 0 0 0 TIMING: 24200 CPU: 96.0866, 0.00391815/step Wall: 96.0866, 0.00391815/step, 2.6946 hours remaining, 108.062500 MB of memory in use. ENERGY: 24200 660.1445 1848.1094 1965.3074 100.9557 0.5755 -1076.6411 0.0000 0.0000 2668.2159 6166.6672 294.7119 3498.4513 6196.4326 297.3063 LDB: ============= START OF LOAD BALANCING ============== 98.787 LDB: ============== END OF LOAD BALANCING =============== 98.7871 LDB: =============== DONE WITH MIGRATION ================ 98.7871 LDB: ============= START OF LOAD BALANCING ============== 99.1796 LDB: ============== END OF LOAD BALANCING =============== 99.1796 LDB: =============== DONE WITH MIGRATION ================ 99.1796 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: 96.8712, 0.00392332/step Wall: 96.8712, 0.00392332/step, 2.69794 hours remaining, 108.062500 MB of memory in use. ENERGY: 24400 644.5238 1843.9178 1965.6431 118.7209 0.4505 -1081.8849 0.0000 0.0000 2705.6239 6196.9951 298.8437 3491.3712 6229.3424 298.2697 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: 97.6542, 0.00391471/step Wall: 97.6542, 0.00391471/step, 2.6918 hours remaining, 108.062500 MB of memory in use. ENERGY: 24600 682.5958 1812.1394 1969.0249 96.0993 1.1321 -1073.4316 0.0000 0.0000 2745.7247 6233.2846 303.2729 3487.5599 6266.2714 301.0605 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: 98.4383, 0.00392076/step Wall: 98.4383, 0.00392076/step, 2.69574 hours remaining, 108.070312 MB of memory in use. ENERGY: 24800 619.8923 1851.6530 1952.5992 104.5253 0.4176 -1077.8563 0.0000 0.0000 2712.7191 6163.9503 299.6274 3451.2311 6196.5857 298.1963 PRESSURE: 25000 0 0 0 0 0 0 0 0 0 GPRESSURE: 25000 0 0 0 0 0 0 0 0 0 PRESSAVG: 25000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25000 0 0 0 0 0 0 0 0 0 TIMING: 25000 CPU: 99.222, 0.00391866/step Wall: 99.222, 0.00391866/step, 2.69408 hours remaining, 108.070312 MB of memory in use. ENERGY: 25000 645.0773 1833.7114 1976.9367 117.2332 0.7240 -1085.2314 0.0000 0.0000 2738.3475 6226.7987 302.4581 3488.4512 6258.5363 300.3966 PRESSURE: 25200 0 0 0 0 0 0 0 0 0 GPRESSURE: 25200 0 0 0 0 0 0 0 0 0 PRESSAVG: 25200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 25200 0 0 0 0 0 0 0 0 0 TIMING: 25200 CPU: 100.006, 0.00392037/step Wall: 100.006, 0.00392037/step, 2.69504 hours remaining, 108.070312 MB of memory in use. ENERGY: 25200 670.6898 1810.2171 1970.0999 102.1732 1.3687 -1068.2822 0.0000 0.0000 2715.7952 6202.0618 299.9671 3486.2666 6234.3955 298.8703 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: 100.789, 0.00391516/step Wall: 100.789, 0.00391516/step, 2.69124 hours remaining, 108.070312 MB of memory in use. ENERGY: 25400 679.4569 1879.6796 1954.8179 110.0997 1.8412 -1059.6917 0.0000 0.0000 2675.5143 6241.7180 295.5180 3566.2037 6274.4147 298.4757 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: 101.573, 0.00392095/step Wall: 101.573, 0.00392095/step, 2.695 hours remaining, 108.070312 MB of memory in use. ENERGY: 25600 674.6641 1827.7952 1934.4621 114.3908 2.7876 -1072.9501 0.0000 0.0000 2756.4780 6237.6277 304.4607 3481.1497 6268.4935 300.6746 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: 102.358, 0.00392121/step Wall: 102.358, 0.00392121/step, 2.69496 hours remaining, 108.070312 MB of memory in use. ENERGY: 25800 677.9289 1835.6643 1947.2134 111.2233 2.0061 -1079.9005 0.0000 0.0000 2744.2699 6238.4054 303.1123 3494.1355 6271.5263 300.2316 PRESSURE: 26000 0 0 0 0 0 0 0 0 0 GPRESSURE: 26000 0 0 0 0 0 0 0 0 0 PRESSAVG: 26000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 26000 0 0 0 0 0 0 0 0 0 TIMING: 26000 CPU: 103.142, 0.00392079/step Wall: 103.142, 0.00392079/step, 2.69446 hours remaining, 108.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 26000 673.9305 1862.7833 1954.5084 110.3879 0.6625 -1109.8732 0.0000 0.0000 2711.8825 6204.2819 299.5350 3492.3994 6236.7693 298.4046 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: 103.926, 0.00391983/step Wall: 103.926, 0.00391983/step, 2.69357 hours remaining, 108.070312 MB of memory in use. ENERGY: 26200 674.5847 1899.5091 1956.8938 100.6517 0.9420 -1117.8442 0.0000 0.0000 2721.4772 6236.2143 300.5947 3514.7371 6270.7931 301.7179 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: 104.709, 0.00391515/step Wall: 104.709, 0.00391515/step, 2.69014 hours remaining, 108.070312 MB of memory in use. ENERGY: 26400 687.1331 1851.0562 1989.8729 107.8792 1.1091 -1119.9817 0.0000 0.0000 2740.4997 6257.5686 302.6958 3517.0688 6289.4369 301.5699 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: 105.493, 0.0039206/step Wall: 105.493, 0.0039206/step, 2.69367 hours remaining, 108.070312 MB of memory in use. ENERGY: 26600 655.1529 1823.9264 1996.1802 93.8176 0.5574 -1088.5160 0.0000 0.0000 2784.6793 6265.7976 307.5756 3481.1184 6301.5794 301.4070 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: 106.277, 0.0039208/step Wall: 106.277, 0.0039208/step, 2.69359 hours remaining, 108.070312 MB of memory in use. ENERGY: 26800 694.3697 1855.7536 1972.8529 106.0840 0.8648 -1090.7215 0.0000 0.0000 2698.8902 6238.0937 298.0999 3539.2034 6269.8283 301.4148 PRESSURE: 27000 0 0 0 0 0 0 0 0 0 GPRESSURE: 27000 0 0 0 0 0 0 0 0 0 PRESSAVG: 27000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 27000 0 0 0 0 0 0 0 0 0 TIMING: 27000 CPU: 107.061, 0.0039202/step Wall: 107.061, 0.0039202/step, 2.69296 hours remaining, 108.070312 MB of memory in use. ENERGY: 27000 662.8570 1846.1196 1949.3419 109.3536 0.3055 -1074.4631 0.0000 0.0000 2742.1709 6235.6853 302.8804 3493.5145 6267.9623 301.0074 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: 107.844, 0.00391434/step Wall: 107.844, 0.00391434/step, 2.68872 hours remaining, 108.070312 MB of memory in use. ENERGY: 27200 650.6007 1870.5985 1976.8514 116.8451 0.4727 -1095.5067 0.0000 0.0000 2723.1126 6242.9741 300.7754 3519.8616 6275.2408 300.7302 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: 108.628, 0.00392174/step Wall: 108.628, 0.00392174/step, 2.69358 hours remaining, 108.070312 MB of memory in use. ENERGY: 27400 640.8928 1824.0328 1972.2601 115.2374 0.9870 -1115.0863 0.0000 0.0000 2708.6482 6146.9720 299.1777 3438.3239 6182.3073 299.6270 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: 109.413, 0.00392241/step Wall: 109.413, 0.00392241/step, 2.69382 hours remaining, 108.070312 MB of memory in use. ENERGY: 27600 648.2239 1827.8092 1972.7884 97.2547 0.8176 -1096.8258 0.0000 0.0000 2721.5113 6171.5794 300.5985 3450.0681 6209.0163 297.3196 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: 110.196, 0.00391852/step Wall: 110.196, 0.00391852/step, 2.69093 hours remaining, 108.070312 MB of memory in use. ENERGY: 27800 659.5469 1824.4016 1946.6559 116.6728 -0.3575 -1113.2960 0.0000 0.0000 2718.3670 6151.9907 300.2512 3433.6237 6185.9715 297.8740 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: 110.981, 0.00392133/step Wall: 110.981, 0.00392133/step, 2.69264 hours remaining, 108.070312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 28000 636.4497 1819.9439 1962.8774 121.9841 0.8614 -1085.4511 0.0000 0.0000 2684.2419 6140.9073 296.4820 3456.6654 6175.8631 296.9346 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: 111.764, 0.0039139/step Wall: 111.764, 0.0039139/step, 2.68733 hours remaining, 108.070312 MB of memory in use. ENERGY: 28200 638.2123 1826.1053 1968.7441 100.3984 1.5067 -1098.4962 0.0000 0.0000 2719.1303 6155.6010 300.3355 3436.4707 6190.4292 297.6274 LDB: ============= START OF LOAD BALANCING ============== 114.465 LDB: ============== END OF LOAD BALANCING =============== 114.465 LDB: =============== DONE WITH MIGRATION ================ 114.466 LDB: ============= START OF LOAD BALANCING ============== 114.858 LDB: ============== END OF LOAD BALANCING =============== 114.858 LDB: =============== DONE WITH MIGRATION ================ 114.858 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: 112.549, 0.00392676/step Wall: 112.549, 0.00392676/step, 2.69594 hours remaining, 108.070312 MB of memory in use. ENERGY: 28400 624.1434 1866.3098 1964.6753 106.3896 0.0752 -1111.5119 0.0000 0.0000 2649.3233 6099.4048 292.6251 3450.0815 6133.8832 297.2790 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: 113.333, 0.0039224/step Wall: 113.333, 0.0039224/step, 2.69272 hours remaining, 108.070312 MB of memory in use. ENERGY: 28600 657.1113 1821.4904 1968.0417 113.8896 0.7123 -1079.4491 0.0000 0.0000 2658.9723 6140.7685 293.6909 3481.7962 6173.6726 295.2698 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: 114.117, 0.0039193/step Wall: 114.117, 0.0039193/step, 2.69038 hours remaining, 108.070312 MB of memory in use. ENERGY: 28800 656.1047 1792.3296 1977.0919 103.5462 1.0954 -1063.9617 0.0000 0.0000 2705.4712 6171.6771 298.8268 3466.2060 6205.1552 295.3684 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: 114.901, 0.00391939/step Wall: 114.901, 0.00391938/step, 2.69022 hours remaining, 108.070312 MB of memory in use. ENERGY: 29000 668.7249 1827.8478 1956.8984 95.4978 2.1430 -1089.6916 0.0000 0.0000 2735.5962 6197.0164 302.1542 3461.4202 6229.0434 298.6423 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: 115.684, 0.00391615/step Wall: 115.684, 0.00391616/step, 2.68779 hours remaining, 108.070312 MB of memory in use. ENERGY: 29200 642.8732 1881.0702 1986.2933 102.2715 2.1832 -1052.8283 0.0000 0.0000 2651.9570 6213.8200 292.9160 3561.8630 6241.7671 300.0329 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: 116.47, 0.0039267/step Wall: 116.47, 0.0039267/step, 2.6948 hours remaining, 108.070312 MB of memory in use. ENERGY: 29400 671.8411 1812.4664 1970.8794 112.6756 1.0945 -1045.8081 0.0000 0.0000 2686.4172 6209.5661 296.7223 3523.1489 6239.7880 298.4443 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: 117.253, 0.00391856/step Wall: 117.253, 0.00391856/step, 2.68901 hours remaining, 108.070312 MB of memory in use. ENERGY: 29600 651.1223 1843.4260 1961.4235 99.8703 1.1283 -1093.7074 0.0000 0.0000 2776.7908 6240.0538 306.7043 3463.2630 6275.5167 299.3079 PRESSURE: 29800 0 0 0 0 0 0 0 0 0 GPRESSURE: 29800 0 0 0 0 0 0 0 0 0 PRESSAVG: 29800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 29800 0 0 0 0 0 0 0 0 0 TIMING: 29800 CPU: 118.038, 0.00392092/step Wall: 118.038, 0.00392092/step, 2.6904 hours remaining, 108.070312 MB of memory in use. ENERGY: 29800 688.7836 1848.0945 1966.2028 105.0007 1.0283 -1127.4997 0.0000 0.0000 2729.7398 6211.3500 301.5074 3481.6102 6244.8507 299.2085 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: 118.821, 0.00391614/step Wall: 118.821, 0.00391614/step, 2.6869 hours remaining, 108.167969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 30000 677.6591 1849.6409 1961.1072 106.4210 1.1717 -1093.4028 0.0000 0.0000 2738.2534 6240.8505 302.4477 3502.5971 6272.5477 300.4920 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 30000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 30000 WRITING COORDINATES TO RESTART FILE AT STEP 30000 FINISHED WRITING RESTART COORDINATES The last position output (seq=30000) takes 0.009 seconds, 108.168 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 30000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=30000) takes 0.008 seconds, 108.168 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: 120.047, 0.00613282/step Wall: 120.047, 0.00613282/step, 4.20745 hours remaining, 108.167969 MB of memory in use. ENERGY: 30200 646.5231 1830.7683 1993.0449 102.2289 1.4214 -1055.1032 0.0000 0.0000 2725.6060 6244.4894 301.0508 3518.8834 6277.7369 301.1171 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: 120.831, 0.00391619/step Wall: 120.831, 0.00391619/step, 2.68651 hours remaining, 108.167969 MB of memory in use. ENERGY: 30400 659.5782 1853.8331 1997.1918 123.3739 0.9758 -1064.6970 0.0000 0.0000 2656.6013 6226.8571 293.4290 3570.2558 6259.4807 301.2054 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: 121.615, 0.00392127/step Wall: 121.615, 0.00392127/step, 2.68977 hours remaining, 108.167969 MB of memory in use. ENERGY: 30600 683.0580 1869.4991 1971.3560 99.3008 1.0841 -1082.4399 0.0000 0.0000 2765.1957 6307.0538 305.4236 3541.8582 6339.2076 303.2158 PRESSURE: 30800 0 0 0 0 0 0 0 0 0 GPRESSURE: 30800 0 0 0 0 0 0 0 0 0 PRESSAVG: 30800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 30800 0 0 0 0 0 0 0 0 0 TIMING: 30800 CPU: 122.399, 0.00392252/step Wall: 122.399, 0.00392252/step, 2.69041 hours remaining, 108.167969 MB of memory in use. ENERGY: 30800 693.1636 1877.7943 1948.9049 112.3422 2.5894 -1101.8393 0.0000 0.0000 2757.8895 6290.8447 304.6166 3532.9552 6325.1311 305.1817 PRESSURE: 31000 0 0 0 0 0 0 0 0 0 GPRESSURE: 31000 0 0 0 0 0 0 0 0 0 PRESSAVG: 31000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31000 0 0 0 0 0 0 0 0 0 TIMING: 31000 CPU: 123.184, 0.00392233/step Wall: 123.184, 0.00392233/step, 2.69006 hours remaining, 108.167969 MB of memory in use. ENERGY: 31000 656.3764 1876.4640 1995.1683 99.0380 1.9053 -1119.7686 0.0000 0.0000 2768.8825 6278.0660 305.8308 3509.1835 6312.9003 305.2164 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: 123.971, 0.00393586/step Wall: 123.971, 0.00393586/step, 2.69913 hours remaining, 108.167969 MB of memory in use. ENERGY: 31200 684.1735 1848.1218 1986.8093 113.1179 1.9405 -1124.8803 0.0000 0.0000 2765.9242 6275.2068 305.5040 3509.2826 6306.0549 303.6910 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: 124.755, 0.00391991/step Wall: 124.755, 0.00391991/step, 2.68797 hours remaining, 108.167969 MB of memory in use. ENERGY: 31400 655.3771 1840.9234 1961.0620 106.1084 2.1376 -1089.2369 0.0000 0.0000 2758.7971 6235.1687 304.7168 3476.3716 6270.4445 302.6979 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: 125.54, 0.0039271/step Wall: 125.54, 0.0039271/step, 2.69268 hours remaining, 108.175781 MB of memory in use. ENERGY: 31600 663.2743 1888.2496 1947.2816 101.2672 1.2656 -1128.9268 0.0000 0.0000 2737.7761 6210.1877 302.3950 3472.4116 6245.5558 301.6147 PRESSURE: 31800 0 0 0 0 0 0 0 0 0 GPRESSURE: 31800 0 0 0 0 0 0 0 0 0 PRESSAVG: 31800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 31800 0 0 0 0 0 0 0 0 0 TIMING: 31800 CPU: 126.325, 0.003923/step Wall: 126.325, 0.003923/step, 2.68965 hours remaining, 108.175781 MB of memory in use. ENERGY: 31800 618.8954 1839.1585 1950.9103 109.5748 1.9661 -1088.1485 0.0000 0.0000 2727.6235 6159.9801 301.2736 3432.3566 6193.7499 299.1556 PRESSURE: 32000 0 0 0 0 0 0 0 0 0 GPRESSURE: 32000 0 0 0 0 0 0 0 0 0 PRESSAVG: 32000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32000 0 0 0 0 0 0 0 0 0 TIMING: 32000 CPU: 127.11, 0.00392412/step Wall: 127.11, 0.00392412/step, 2.6902 hours remaining, 108.175781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 32000 669.1796 1869.7522 1956.4816 106.6683 2.3762 -1086.8480 0.0000 0.0000 2702.9102 6220.5201 298.5440 3517.6099 6257.2439 299.9375 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: 127.893, 0.00391632/step Wall: 127.893, 0.00391632/step, 2.68464 hours remaining, 108.179688 MB of memory in use. ENERGY: 32200 700.4710 1846.3770 1960.4043 111.5657 0.4503 -1120.5100 0.0000 0.0000 2712.0970 6210.8551 299.5587 3498.7581 6245.0992 300.6376 LDB: ============= START OF LOAD BALANCING ============== 130.595 LDB: ============== END OF LOAD BALANCING =============== 130.595 LDB: =============== DONE WITH MIGRATION ================ 130.595 LDB: ============= START OF LOAD BALANCING ============== 130.988 LDB: ============== END OF LOAD BALANCING =============== 130.988 LDB: =============== DONE WITH MIGRATION ================ 130.988 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: 128.679, 0.00392843/step Wall: 128.679, 0.00392843/step, 2.69272 hours remaining, 108.195312 MB of memory in use. ENERGY: 32400 673.5103 1846.4217 1954.4264 109.0066 2.8390 -1133.3122 0.0000 0.0000 2704.7223 6157.6141 298.7441 3452.8919 6190.8106 299.1717 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: 129.463, 0.00392275/step Wall: 129.463, 0.00392275/step, 2.68861 hours remaining, 108.195312 MB of memory in use. ENERGY: 32600 674.8962 1879.8020 1943.2125 102.4460 1.9786 -1113.0373 0.0000 0.0000 2739.4317 6228.7297 302.5779 3489.2980 6264.3683 300.3084 PRESSURE: 32800 0 0 0 0 0 0 0 0 0 GPRESSURE: 32800 0 0 0 0 0 0 0 0 0 PRESSAVG: 32800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 32800 0 0 0 0 0 0 0 0 0 TIMING: 32800 CPU: 130.248, 0.00392169/step Wall: 130.248, 0.00392169/step, 2.68766 hours remaining, 108.195312 MB of memory in use. ENERGY: 32800 670.8396 1799.2536 1962.2846 104.6122 1.9342 -1091.8544 0.0000 0.0000 2723.4704 6170.5402 300.8149 3447.0698 6207.1443 299.6552 PRESSURE: 33000 0 0 0 0 0 0 0 0 0 GPRESSURE: 33000 0 0 0 0 0 0 0 0 0 PRESSAVG: 33000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33000 0 0 0 0 0 0 0 0 0 TIMING: 33000 CPU: 131.032, 0.0039224/step Wall: 131.032, 0.0039224/step, 2.68793 hours remaining, 108.207031 MB of memory in use. ENERGY: 33000 663.0302 1822.5627 1983.8322 104.4413 1.1120 -1072.4070 0.0000 0.0000 2669.9470 6172.5184 294.9031 3502.5714 6203.0283 298.0049 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: 131.815, 0.00391404/step Wall: 131.815, 0.00391404/step, 2.68198 hours remaining, 108.207031 MB of memory in use. ENERGY: 33200 669.2359 1825.6664 1975.3690 105.5132 1.5612 -1081.1171 0.0000 0.0000 2673.0654 6169.2939 295.2475 3496.2285 6201.4754 296.8351 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: 132.599, 0.00392168/step Wall: 132.599, 0.00392168/step, 2.687 hours remaining, 108.207031 MB of memory in use. ENERGY: 33400 644.1888 1855.3181 1938.6176 102.6687 0.6226 -1072.0696 0.0000 0.0000 2680.4505 6149.7967 296.0632 3469.3462 6183.0494 295.8165 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: 133.384, 0.00392294/step Wall: 133.384, 0.00392294/step, 2.68765 hours remaining, 108.207031 MB of memory in use. ENERGY: 33600 673.2935 1826.5029 1922.0139 108.4913 1.7636 -1061.2304 0.0000 0.0000 2740.6901 6211.5249 302.7169 3470.8348 6246.1034 298.5044 PRESSURE: 33800 0 0 0 0 0 0 0 0 0 GPRESSURE: 33800 0 0 0 0 0 0 0 0 0 PRESSAVG: 33800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 33800 0 0 0 0 0 0 0 0 0 TIMING: 33800 CPU: 134.168, 0.00392305/step Wall: 134.168, 0.00392304/step, 2.6875 hours remaining, 108.207031 MB of memory in use. ENERGY: 33800 642.2772 1917.7894 1938.9066 110.7024 2.0377 -1104.2974 0.0000 0.0000 2703.0827 6210.4984 298.5630 3507.4157 6245.1283 300.9962 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: 134.953, 0.00392398/step Wall: 134.953, 0.00392399/step, 2.68793 hours remaining, 108.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 34000 638.1212 1817.5280 1973.9665 103.4054 2.5464 -1050.0889 0.0000 0.0000 2724.6666 6210.1453 300.9470 3485.4787 6245.6566 299.3121 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: 135.736, 0.00391611/step Wall: 135.736, 0.00391611/step, 2.68232 hours remaining, 108.207031 MB of memory in use. ENERGY: 34200 649.3219 1879.9593 1982.8099 107.4958 0.2266 -1065.1481 0.0000 0.0000 2650.4310 6205.0963 292.7475 3554.6654 6236.6530 298.2301 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: 136.521, 0.00392213/step Wall: 136.521, 0.00392213/step, 2.68622 hours remaining, 108.207031 MB of memory in use. ENERGY: 34400 631.7860 1838.1467 1991.4174 104.5726 0.0019 -1060.3520 0.0000 0.0000 2693.7563 6199.3288 297.5329 3505.5725 6230.2089 298.8456 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: 137.305, 0.00392115/step Wall: 137.305, 0.00392115/step, 2.68533 hours remaining, 108.207031 MB of memory in use. ENERGY: 34600 647.0427 1858.2791 1969.3150 98.3806 0.8362 -1091.1322 0.0000 0.0000 2773.0633 6255.7846 306.2926 3482.7214 6291.6305 300.0777 PRESSURE: 34800 0 0 0 0 0 0 0 0 0 GPRESSURE: 34800 0 0 0 0 0 0 0 0 0 PRESSAVG: 34800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 34800 0 0 0 0 0 0 0 0 0 TIMING: 34800 CPU: 138.09, 0.00392313/step Wall: 138.09, 0.00392313/step, 2.68647 hours remaining, 108.207031 MB of memory in use. ENERGY: 34800 644.8546 1901.4728 1946.0090 103.2137 0.5477 -1102.5000 0.0000 0.0000 2736.3515 6229.9492 302.2376 3493.5977 6264.7690 301.0664 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: 138.873, 0.00391746/step Wall: 138.873, 0.00391746/step, 2.68237 hours remaining, 108.207031 MB of memory in use. ENERGY: 35000 692.8488 1876.8052 1961.9264 110.3338 1.2455 -1065.3744 0.0000 0.0000 2662.6491 6240.4344 294.0970 3577.7853 6269.5381 299.6917 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: 139.658, 0.00392455/step Wall: 139.658, 0.00392455/step, 2.68701 hours remaining, 108.207031 MB of memory in use. ENERGY: 35200 638.3884 1860.8553 1940.6218 107.8758 -0.9037 -1029.5687 0.0000 0.0000 2731.3334 6248.6023 301.6834 3517.2689 6282.9129 299.3299 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: 140.443, 0.00392476/step Wall: 140.443, 0.00392476/step, 2.68693 hours remaining, 108.207031 MB of memory in use. ENERGY: 35400 649.9973 1882.6567 1941.2828 105.7858 1.5368 -1086.9548 0.0000 0.0000 2701.4586 6195.7632 298.3836 3494.3046 6226.5258 298.6787 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: 141.228, 0.00392535/step Wall: 141.228, 0.00392535/step, 2.68712 hours remaining, 108.207031 MB of memory in use. ENERGY: 35600 646.6274 1795.6886 1964.0452 105.2636 0.4143 -1056.3731 0.0000 0.0000 2734.9683 6190.6341 302.0849 3455.6659 6224.3792 297.3842 PRESSURE: 35800 0 0 0 0 0 0 0 0 0 GPRESSURE: 35800 0 0 0 0 0 0 0 0 0 PRESSAVG: 35800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 35800 0 0 0 0 0 0 0 0 0 TIMING: 35800 CPU: 142.013, 0.00392522/step Wall: 142.013, 0.00392522/step, 2.68681 hours remaining, 108.210938 MB of memory in use. ENERGY: 35800 686.0486 1846.1323 1961.1316 106.8507 0.3724 -1101.6142 0.0000 0.0000 2701.0478 6199.9691 298.3383 3498.9213 6233.1045 298.5970 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: 142.797, 0.00391842/step Wall: 142.797, 0.00391842/step, 2.68194 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: 36000 651.8420 1841.5898 1940.4317 96.5180 1.3949 -1107.8644 0.0000 0.0000 2763.6719 6187.5839 305.2553 3423.9121 6221.5262 299.4683 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: 143.582, 0.00392473/step Wall: 143.582, 0.00392473/step, 2.68604 hours remaining, 108.218750 MB of memory in use. ENERGY: 36200 641.4061 1814.5642 1969.9340 103.5130 1.3350 -1074.3140 0.0000 0.0000 2687.2723 6143.7107 296.8167 3456.4384 6176.2036 297.6178 LDB: ============= START OF LOAD BALANCING ============== 146.284 LDB: ============== END OF LOAD BALANCING =============== 146.284 LDB: =============== DONE WITH MIGRATION ================ 146.284 LDB: ============= START OF LOAD BALANCING ============== 146.677 LDB: ============== END OF LOAD BALANCING =============== 146.677 LDB: =============== DONE WITH MIGRATION ================ 146.677 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: 144.368, 0.00393072/step Wall: 144.368, 0.00393072/step, 2.68993 hours remaining, 108.218750 MB of memory in use. ENERGY: 36400 654.0934 1804.5147 1950.0756 125.7612 0.8620 -1069.4872 0.0000 0.0000 2736.4352 6202.2549 302.2469 3465.8197 6236.8553 298.6334 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: 145.153, 0.00392497/step Wall: 145.153, 0.00392497/step, 2.68577 hours remaining, 108.218750 MB of memory in use. ENERGY: 36600 686.8864 1845.1896 1974.7301 112.1514 0.8090 -1097.8038 0.0000 0.0000 2701.0188 6222.9815 298.3351 3521.9627 6257.1377 299.3639 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: 145.937, 0.00391932/step Wall: 145.937, 0.00391931/step, 2.68168 hours remaining, 108.226562 MB of memory in use. ENERGY: 36800 644.6741 1829.2361 1976.9222 107.6734 1.2760 -1073.0117 0.0000 0.0000 2692.5072 6179.2773 297.3949 3486.7701 6211.6616 296.3948 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: 146.722, 0.00392745/step Wall: 146.722, 0.00392745/step, 2.68703 hours remaining, 108.226562 MB of memory in use. ENERGY: 37000 630.7209 1843.1573 1965.5440 101.9259 0.1460 -1045.0484 0.0000 0.0000 2673.3597 6169.8053 295.2800 3496.4456 6200.7994 295.6693 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: 147.508, 0.00392684/step Wall: 147.508, 0.00392684/step, 2.68639 hours remaining, 108.226562 MB of memory in use. ENERGY: 37200 602.9794 1843.1615 1953.7555 102.6553 0.7814 -1058.9083 0.0000 0.0000 2727.0619 6171.4866 301.2116 3444.4247 6206.8429 296.4866 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: 148.293, 0.00392524/step Wall: 148.293, 0.00392524/step, 2.68508 hours remaining, 108.226562 MB of memory in use. ENERGY: 37400 620.1933 1851.0907 1973.3573 119.6865 1.1989 -1107.8907 0.0000 0.0000 2670.9437 6128.5797 295.0132 3457.6360 6160.2603 294.5396 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: 149.079, 0.00392899/step Wall: 149.079, 0.00392899/step, 2.68743 hours remaining, 108.226562 MB of memory in use. ENERGY: 37600 634.9194 1865.8590 1965.8463 102.3321 1.8542 -1095.3869 0.0000 0.0000 2669.0875 6144.5116 294.8081 3475.4241 6172.9766 295.4489 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: 149.862, 0.00391946/step Wall: 149.862, 0.00391946/step, 2.6807 hours remaining, 108.226562 MB of memory in use. ENERGY: 37800 610.2855 1839.7857 1949.5131 97.8697 1.3481 -1056.3785 0.0000 0.0000 2676.5876 6119.0112 295.6366 3442.4236 6151.7889 295.7630 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: 150.648, 0.00392702/step Wall: 150.648, 0.00392702/step, 2.68564 hours remaining, 108.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 38000 609.8514 1848.1341 1958.7907 103.3326 1.1073 -1065.8207 0.0000 0.0000 2650.6897 6106.0851 292.7761 3455.3954 6136.1700 294.0722 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: 151.433, 0.00392567/step Wall: 151.433, 0.00392567/step, 2.6845 hours remaining, 108.226562 MB of memory in use. ENERGY: 38200 648.4382 1847.7571 1951.2152 105.9234 1.5066 -1078.1233 0.0000 0.0000 2624.9310 6101.6481 289.9309 3476.7171 6134.5795 291.2791 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: 152.218, 0.00392507/step Wall: 152.218, 0.00392507/step, 2.68388 hours remaining, 108.226562 MB of memory in use. ENERGY: 38400 612.9259 1817.4124 1974.6530 90.9591 1.6628 -1036.3260 0.0000 0.0000 2642.0267 6103.3140 291.8192 3461.2873 6136.6760 293.0754 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: 153.003, 0.00392635/step Wall: 153.003, 0.00392635/step, 2.68453 hours remaining, 108.226562 MB of memory in use. ENERGY: 38600 642.4235 1815.3124 1942.7245 102.8563 1.3639 -1084.3769 0.0000 0.0000 2699.9461 6120.2498 298.2166 3420.3037 6153.4116 292.4468 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: 153.787, 0.00391904/step Wall: 153.787, 0.00391904/step, 2.67932 hours remaining, 108.226562 MB of memory in use. ENERGY: 38800 637.8449 1906.9399 1943.7014 98.7716 1.0676 -1095.6249 0.0000 0.0000 2658.3859 6151.0864 293.6261 3492.7005 6183.9604 295.9287 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: 154.572, 0.00392658/step Wall: 154.572, 0.00392658/step, 2.68426 hours remaining, 108.226562 MB of memory in use. ENERGY: 39000 662.5278 1897.9851 1935.7554 107.3447 0.5553 -1099.1494 0.0000 0.0000 2665.1331 6170.1520 294.3714 3505.0189 6202.5822 298.3246 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: 155.358, 0.00392587/step Wall: 155.358, 0.00392587/step, 2.68355 hours remaining, 108.226562 MB of memory in use. ENERGY: 39200 630.4881 1865.6409 1980.3025 104.0047 1.6029 -1092.0203 0.0000 0.0000 2607.8292 6097.8481 288.0420 3490.0190 6130.0623 294.6662 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: 156.144, 0.00393301/step Wall: 156.144, 0.00393301/step, 2.68821 hours remaining, 108.226562 MB of memory in use. ENERGY: 39400 659.0651 1885.3490 1938.6723 114.0955 3.2457 -1085.7257 0.0000 0.0000 2655.4686 6170.1706 293.3039 3514.7020 6202.4861 295.7196 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: 156.928, 0.00391825/step Wall: 156.928, 0.00391825/step, 2.67791 hours remaining, 108.226562 MB of memory in use. ENERGY: 39600 652.0769 1832.7831 1954.7953 96.3956 1.8284 -1072.9730 0.0000 0.0000 2709.9903 6174.8966 299.3260 3464.9063 6210.6616 295.4547 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: 157.713, 0.00392661/step Wall: 157.713, 0.00392661/step, 2.6834 hours remaining, 108.226562 MB of memory in use. ENERGY: 39800 651.6225 1787.9847 1968.8990 101.9070 1.6992 -1054.6567 0.0000 0.0000 2696.3619 6153.8175 297.8207 3457.4556 6188.7350 297.1496 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: 158.498, 0.00392568/step Wall: 158.498, 0.00392568/step, 2.68255 hours remaining, 108.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 40000 675.1772 1926.9492 1947.9953 98.4002 2.6775 -1147.2221 0.0000 0.0000 2693.5135 6197.4909 297.5061 3503.9774 6229.5848 297.5661 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 40000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 40000 WRITING COORDINATES TO RESTART FILE AT STEP 40000 FINISHED WRITING RESTART COORDINATES The last position output (seq=40000) takes 0.008 seconds, 108.324 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 40000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=40000) takes 0.007 seconds, 108.324 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: 159.313, 0.00407219/step Wall: 159.313, 0.00407219/step, 2.78244 hours remaining, 108.324219 MB of memory in use. ENERGY: 40200 643.4414 1816.5418 1983.9567 117.5586 2.8245 -1069.2610 0.0000 0.0000 2707.6054 6202.6674 299.0626 3495.0620 6238.0179 299.1784 LDB: ============= START OF LOAD BALANCING ============== 162.014 LDB: ============== END OF LOAD BALANCING =============== 162.014 LDB: =============== DONE WITH MIGRATION ================ 162.014 LDB: ============= START OF LOAD BALANCING ============== 162.408 LDB: ============== END OF LOAD BALANCING =============== 162.408 LDB: =============== DONE WITH MIGRATION ================ 162.408 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: 160.099, 0.00392935/step Wall: 160.099, 0.00392935/step, 2.68462 hours remaining, 108.324219 MB of memory in use. ENERGY: 40400 655.0549 1834.8731 2003.9861 101.2296 2.1151 -1100.2910 0.0000 0.0000 2726.2887 6223.2565 301.1262 3496.9678 6255.4729 298.8327 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: 160.882, 0.00391848/step Wall: 160.882, 0.00391848/step, 2.67698 hours remaining, 108.324219 MB of memory in use. ENERGY: 40600 647.8545 1807.6310 1985.4762 100.0985 1.6835 -1047.2739 0.0000 0.0000 2729.9607 6225.4305 301.5318 3495.4698 6258.1928 300.8602 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: 161.667, 0.0039231/step Wall: 161.667, 0.0039231/step, 2.67991 hours remaining, 108.324219 MB of memory in use. ENERGY: 40800 637.5116 1849.5920 1995.5377 121.1816 1.9531 -1099.2530 0.0000 0.0000 2674.8496 6181.3725 295.4446 3506.5230 6214.9940 298.5918 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: 162.452, 0.00392351/step Wall: 162.452, 0.00392351/step, 2.67998 hours remaining, 108.324219 MB of memory in use. ENERGY: 41000 659.4596 1883.2099 1961.5003 114.2562 2.5324 -1100.9171 0.0000 0.0000 2730.3730 6250.4143 301.5773 3520.0413 6282.8994 298.1190 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: 163.236, 0.00392237/step Wall: 163.236, 0.00392237/step, 2.67898 hours remaining, 108.324219 MB of memory in use. ENERGY: 41200 689.2268 1827.9661 1954.1641 116.6552 2.4800 -1088.5523 0.0000 0.0000 2791.6248 6293.5646 308.3427 3501.9398 6328.2422 302.8829 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: 164.021, 0.00392414/step Wall: 164.021, 0.00392414/step, 2.67997 hours remaining, 108.324219 MB of memory in use. ENERGY: 41400 647.6719 1887.0672 1957.2069 112.1380 2.1177 -1106.6351 0.0000 0.0000 2756.1212 6255.6878 304.4213 3499.5666 6289.7908 303.5608 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: 164.806, 0.00392693/step Wall: 164.806, 0.00392693/step, 2.68166 hours remaining, 108.347656 MB of memory in use. ENERGY: 41600 665.1950 1886.1917 1970.0825 106.2874 3.2332 -1085.8348 0.0000 0.0000 2739.3497 6284.5048 302.5688 3545.1551 6314.4967 304.4573 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: 165.595, 0.00394389/step Wall: 165.595, 0.00394389/step, 2.69302 hours remaining, 108.347656 MB of memory in use. ENERGY: 41800 631.5213 1910.2533 1937.7850 96.0466 2.9982 -1094.5977 0.0000 0.0000 2797.4306 6281.4371 308.9840 3484.0065 6315.6361 303.1343 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: 166.38, 0.00392461/step Wall: 166.38, 0.00392461/step, 2.67964 hours remaining, 108.347656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 42000 634.4739 1888.7931 1945.7443 108.1393 1.4768 -1101.6353 0.0000 0.0000 2784.1836 6261.1756 307.5208 3476.9920 6297.4476 303.4305 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: 167.165, 0.00392315/step Wall: 167.165, 0.00392315/step, 2.67842 hours remaining, 108.347656 MB of memory in use. ENERGY: 42200 649.4289 1916.0598 1975.6335 97.1473 1.9691 -1111.2994 0.0000 0.0000 2719.0246 6247.9638 300.3238 3528.9392 6280.0256 303.4356 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: 167.948, 0.00391811/step Wall: 167.948, 0.00391811/step, 2.67477 hours remaining, 108.347656 MB of memory in use. ENERGY: 42400 653.5408 1891.8358 1990.8901 116.0672 1.5082 -1126.1522 0.0000 0.0000 2720.9997 6248.6895 300.5420 3527.6898 6282.6537 301.1979 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: 168.733, 0.00392527/step Wall: 168.733, 0.00392527/step, 2.67944 hours remaining, 108.347656 MB of memory in use. ENERGY: 42600 663.5908 1862.9270 1970.0024 106.9700 1.5248 -1089.5015 0.0000 0.0000 2760.1946 6275.7082 304.8712 3515.5135 6310.5406 302.0295 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: 169.518, 0.0039246/step Wall: 169.518, 0.0039246/step, 2.67876 hours remaining, 108.347656 MB of memory in use. ENERGY: 42800 667.1997 1922.3108 1980.7009 119.2626 -0.4574 -1131.9298 0.0000 0.0000 2731.9404 6289.0273 301.7504 3557.0868 6322.0156 304.4106 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: 170.303, 0.00392453/step Wall: 170.303, 0.00392453/step, 2.67849 hours remaining, 108.347656 MB of memory in use. ENERGY: 43000 647.1356 1857.8237 1984.1037 126.6021 0.9886 -1080.9639 0.0000 0.0000 2750.9000 6286.5900 303.8446 3535.6899 6318.3723 304.1276 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: 171.088, 0.00392534/step Wall: 171.088, 0.00392533/step, 2.67882 hours remaining, 108.347656 MB of memory in use. ENERGY: 43200 651.3747 1788.7304 2004.7754 123.7808 1.7145 -1066.3892 0.0000 0.0000 2804.8060 6308.7926 309.7986 3503.9866 6345.2099 303.9247 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: 171.872, 0.00391826/step Wall: 171.872, 0.00391826/step, 2.67378 hours remaining, 108.347656 MB of memory in use. ENERGY: 43400 645.4848 1864.3322 1989.6019 106.7214 1.0935 -1049.7654 0.0000 0.0000 2707.6094 6265.0779 299.0630 3557.4685 6296.9009 303.1359 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: 172.657, 0.00392582/step Wall: 172.657, 0.00392582/step, 2.67872 hours remaining, 108.347656 MB of memory in use. ENERGY: 43600 652.4970 1924.5787 1957.9128 101.8229 1.2839 -1076.1502 0.0000 0.0000 2665.1039 6227.0491 294.3681 3561.9452 6257.0831 301.5228 PRESSURE: 43800 0 0 0 0 0 0 0 0 0 GPRESSURE: 43800 0 0 0 0 0 0 0 0 0 PRESSAVG: 43800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 43800 0 0 0 0 0 0 0 0 0 TIMING: 43800 CPU: 174.729, 0.0103619/step Wall: 174.729, 0.0103619/step, 7.06967 hours remaining, 108.347656 MB of memory in use. ENERGY: 43800 670.5863 1876.8116 1964.6514 106.9844 1.4805 -1075.4280 0.0000 0.0000 2718.6228 6263.7091 300.2795 3545.0863 6295.6221 301.8738 PRESSURE: 44000 0 0 0 0 0 0 0 0 0 GPRESSURE: 44000 0 0 0 0 0 0 0 0 0 PRESSAVG: 44000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44000 0 0 0 0 0 0 0 0 0 TIMING: 44000 CPU: 175.527, 0.00399028/step Wall: 175.527, 0.00399029/step, 2.72226 hours remaining, 110.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 44000 704.2919 1827.7061 1943.2255 109.0893 2.7250 -1075.0893 0.0000 0.0000 2759.2550 6271.2036 304.7674 3511.9486 6304.7137 300.6585 PRESSURE: 44200 0 0 0 0 0 0 0 0 0 GPRESSURE: 44200 0 0 0 0 0 0 0 0 0 PRESSAVG: 44200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44200 0 0 0 0 0 0 0 0 0 TIMING: 44200 CPU: 176.312, 0.00392401/step Wall: 176.312, 0.00392401/step, 2.67683 hours remaining, 110.000000 MB of memory in use. ENERGY: 44200 659.2897 1865.5056 1948.3879 110.9831 2.5214 -1092.0427 0.0000 0.0000 2718.1058 6212.7509 300.2224 3494.6451 6247.8279 302.3270 LDB: ============= START OF LOAD BALANCING ============== 179.013 LDB: ============== END OF LOAD BALANCING =============== 179.013 LDB: =============== DONE WITH MIGRATION ================ 179.013 LDB: ============= START OF LOAD BALANCING ============== 179.407 LDB: ============== END OF LOAD BALANCING =============== 179.407 LDB: =============== DONE WITH MIGRATION ================ 179.407 PRESSURE: 44400 0 0 0 0 0 0 0 0 0 GPRESSURE: 44400 0 0 0 0 0 0 0 0 0 PRESSAVG: 44400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44400 0 0 0 0 0 0 0 0 0 TIMING: 44400 CPU: 177.098, 0.00392689/step Wall: 177.098, 0.00392689/step, 2.67858 hours remaining, 110.000000 MB of memory in use. ENERGY: 44400 655.1507 1875.7228 1955.3068 108.2271 4.1268 -1074.0688 0.0000 0.0000 2751.5866 6276.0520 303.9204 3524.4654 6308.7024 301.4899 PRESSURE: 44600 0 0 0 0 0 0 0 0 0 GPRESSURE: 44600 0 0 0 0 0 0 0 0 0 PRESSAVG: 44600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44600 0 0 0 0 0 0 0 0 0 TIMING: 44600 CPU: 177.881, 0.00391569/step Wall: 177.881, 0.00391569/step, 2.67071 hours remaining, 110.000000 MB of memory in use. ENERGY: 44600 658.2634 1855.7016 1943.5781 109.7114 2.4620 -1064.6040 0.0000 0.0000 2728.9195 6234.0319 301.4168 3505.1124 6266.7320 302.6540 PRESSURE: 44800 0 0 0 0 0 0 0 0 0 GPRESSURE: 44800 0 0 0 0 0 0 0 0 0 PRESSAVG: 44800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 44800 0 0 0 0 0 0 0 0 0 TIMING: 44800 CPU: 178.665, 0.00392296/step Wall: 178.665, 0.00392296/step, 2.67546 hours remaining, 110.000000 MB of memory in use. ENERGY: 44800 669.0324 1850.5915 1987.6074 116.8130 1.4409 -1111.0678 0.0000 0.0000 2726.8314 6241.2488 301.1861 3514.4175 6272.8545 301.0689 PRESSURE: 45000 0 0 0 0 0 0 0 0 0 GPRESSURE: 45000 0 0 0 0 0 0 0 0 0 PRESSAVG: 45000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45000 0 0 0 0 0 0 0 0 0 TIMING: 45000 CPU: 179.45, 0.00392249/step Wall: 179.45, 0.00392249/step, 2.67492 hours remaining, 110.000000 MB of memory in use. ENERGY: 45000 695.4538 1831.3661 1946.6479 106.0647 2.9343 -1102.7532 0.0000 0.0000 2783.4951 6263.2087 307.4448 3479.7136 6296.2259 302.7561 PRESSURE: 45200 0 0 0 0 0 0 0 0 0 GPRESSURE: 45200 0 0 0 0 0 0 0 0 0 PRESSAVG: 45200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45200 0 0 0 0 0 0 0 0 0 TIMING: 45200 CPU: 180.234, 0.00392104/step Wall: 180.234, 0.00392104/step, 2.67371 hours remaining, 110.000000 MB of memory in use. ENERGY: 45200 640.6179 1853.2848 1963.8666 119.5965 3.5240 -1086.1047 0.0000 0.0000 2763.4922 6258.2773 305.2354 3494.7851 6292.1798 303.3968 PRESSURE: 45400 0 0 0 0 0 0 0 0 0 GPRESSURE: 45400 0 0 0 0 0 0 0 0 0 PRESSAVG: 45400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45400 0 0 0 0 0 0 0 0 0 TIMING: 45400 CPU: 181.017, 0.00391603/step Wall: 181.017, 0.00391603/step, 2.67008 hours remaining, 110.000000 MB of memory in use. ENERGY: 45400 688.8911 1845.4740 1948.7064 119.8352 3.5190 -1094.6502 0.0000 0.0000 2705.5560 6217.3316 298.8362 3511.7756 6249.4058 301.4981 PRESSURE: 45600 0 0 0 0 0 0 0 0 0 GPRESSURE: 45600 0 0 0 0 0 0 0 0 0 PRESSAVG: 45600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45600 0 0 0 0 0 0 0 0 0 TIMING: 45600 CPU: 181.802, 0.00392316/step Wall: 181.802, 0.00392316/step, 2.67473 hours remaining, 110.000000 MB of memory in use. ENERGY: 45600 644.1548 1904.5816 1952.3806 114.2989 3.7686 -1094.6091 0.0000 0.0000 2731.7048 6256.2802 301.7244 3524.5754 6289.0375 301.9761 PRESSURE: 45800 0 0 0 0 0 0 0 0 0 GPRESSURE: 45800 0 0 0 0 0 0 0 0 0 PRESSAVG: 45800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 45800 0 0 0 0 0 0 0 0 0 TIMING: 45800 CPU: 182.586, 0.00392193/step Wall: 182.586, 0.00392193/step, 2.67366 hours remaining, 110.000000 MB of memory in use. ENERGY: 45800 677.8954 1873.3900 1986.1307 106.2410 3.3979 -1107.7977 0.0000 0.0000 2744.3578 6283.6150 303.1220 3539.2572 6314.9613 304.0155 PRESSURE: 46000 0 0 0 0 0 0 0 0 0 GPRESSURE: 46000 0 0 0 0 0 0 0 0 0 PRESSAVG: 46000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46000 0 0 0 0 0 0 0 0 0 TIMING: 46000 CPU: 183.371, 0.00392192/step Wall: 183.371, 0.00392192/step, 2.67344 hours remaining, 110.000000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 46000 644.4198 1886.1204 1989.4572 109.4023 3.6355 -1094.3310 0.0000 0.0000 2731.6997 6270.4039 301.7238 3538.7041 6303.4376 302.5217 PRESSURE: 46200 0 0 0 0 0 0 0 0 0 GPRESSURE: 46200 0 0 0 0 0 0 0 0 0 PRESSAVG: 46200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46200 0 0 0 0 0 0 0 0 0 TIMING: 46200 CPU: 184.158, 0.00393432/step Wall: 184.158, 0.00393432/step, 2.68168 hours remaining, 110.000000 MB of memory in use. ENERGY: 46200 692.4492 1865.8394 1976.3833 103.7035 2.0769 -1105.4611 0.0000 0.0000 2716.2287 6251.2200 300.0150 3534.9913 6282.6285 302.1503 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: 184.941, 0.00391803/step Wall: 184.941, 0.00391803/step, 2.67036 hours remaining, 110.000000 MB of memory in use. ENERGY: 46400 678.0220 1867.7140 1965.4351 113.6441 2.9650 -1148.6643 0.0000 0.0000 2750.3156 6229.4314 303.7800 3479.1158 6262.7858 301.1358 PRESSURE: 46600 0 0 0 0 0 0 0 0 0 GPRESSURE: 46600 0 0 0 0 0 0 0 0 0 PRESSAVG: 46600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46600 0 0 0 0 0 0 0 0 0 TIMING: 46600 CPU: 185.726, 0.00392547/step Wall: 185.726, 0.00392547/step, 2.67521 hours remaining, 110.000000 MB of memory in use. ENERGY: 46600 669.9454 1809.0038 1941.3631 118.4535 2.6999 -1080.3347 0.0000 0.0000 2716.6420 6177.7730 300.0607 3461.1310 6213.1442 301.8000 PRESSURE: 46800 0 0 0 0 0 0 0 0 0 GPRESSURE: 46800 0 0 0 0 0 0 0 0 0 PRESSAVG: 46800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 46800 0 0 0 0 0 0 0 0 0 TIMING: 46800 CPU: 186.511, 0.00392267/step Wall: 186.511, 0.00392267/step, 2.67308 hours remaining, 110.000000 MB of memory in use. ENERGY: 46800 648.3428 1832.7142 1947.3465 104.5276 2.6723 -1045.9932 0.0000 0.0000 2731.7412 6221.3514 301.7284 3489.6102 6253.1616 300.1146 PRESSURE: 47000 0 0 0 0 0 0 0 0 0 GPRESSURE: 47000 0 0 0 0 0 0 0 0 0 PRESSAVG: 47000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47000 0 0 0 0 0 0 0 0 0 TIMING: 47000 CPU: 187.295, 0.00392244/step Wall: 187.295, 0.00392244/step, 2.6727 hours remaining, 110.000000 MB of memory in use. ENERGY: 47000 701.5209 1841.6677 1955.8338 110.1074 2.6944 -1104.6520 0.0000 0.0000 2695.1118 6202.2840 297.6826 3507.1722 6233.8752 300.1393 PRESSURE: 47200 0 0 0 0 0 0 0 0 0 GPRESSURE: 47200 0 0 0 0 0 0 0 0 0 PRESSAVG: 47200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47200 0 0 0 0 0 0 0 0 0 TIMING: 47200 CPU: 188.08, 0.00392134/step Wall: 188.08, 0.00392134/step, 2.67174 hours remaining, 110.003906 MB of memory in use. ENERGY: 47200 653.3290 1856.7597 1917.2330 100.7987 3.1604 -1076.3087 0.0000 0.0000 2783.0908 6238.0629 307.4001 3454.9721 6271.5007 300.9824 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: 188.863, 0.00391595/step Wall: 188.863, 0.00391595/step, 2.66785 hours remaining, 110.003906 MB of memory in use. ENERGY: 47400 651.4335 1859.2430 1955.3030 111.0951 1.3814 -1095.2152 0.0000 0.0000 2712.9114 6196.1521 299.6486 3483.2407 6229.2739 300.3491 PRESSURE: 47600 0 0 0 0 0 0 0 0 0 GPRESSURE: 47600 0 0 0 0 0 0 0 0 0 PRESSAVG: 47600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47600 0 0 0 0 0 0 0 0 0 TIMING: 47600 CPU: 189.647, 0.00392172/step Wall: 189.647, 0.00392172/step, 2.67156 hours remaining, 110.003906 MB of memory in use. ENERGY: 47600 667.3160 1866.8864 1961.6954 121.2819 2.0315 -1090.0005 0.0000 0.0000 2718.1053 6247.3160 300.2223 3529.2107 6282.1017 302.2489 PRESSURE: 47800 0 0 0 0 0 0 0 0 0 GPRESSURE: 47800 0 0 0 0 0 0 0 0 0 PRESSAVG: 47800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 47800 0 0 0 0 0 0 0 0 0 TIMING: 47800 CPU: 190.432, 0.00392282/step Wall: 190.432, 0.00392282/step, 2.6721 hours remaining, 110.003906 MB of memory in use. ENERGY: 47800 698.0136 1837.5513 1922.8861 112.4038 2.2838 -1092.6853 0.0000 0.0000 2774.9524 6255.4057 306.5012 3480.4533 6288.7172 301.8588 PRESSURE: 48000 0 0 0 0 0 0 0 0 0 GPRESSURE: 48000 0 0 0 0 0 0 0 0 0 PRESSAVG: 48000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48000 0 0 0 0 0 0 0 0 0 TIMING: 48000 CPU: 191.216, 0.00392272/step Wall: 191.216, 0.00392272/step, 2.67181 hours remaining, 110.003906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 48000 637.7662 1867.0288 1953.1126 113.8752 2.3692 -1095.1799 0.0000 0.0000 2737.8761 6216.8483 302.4060 3478.9722 6249.4964 303.2677 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: 191.999, 0.00391524/step Wall: 191.999, 0.00391524/step, 2.6665 hours remaining, 110.003906 MB of memory in use. ENERGY: 48200 644.2385 1843.7610 1954.0476 101.0294 2.6665 -1116.5129 0.0000 0.0000 2722.8997 6152.1298 300.7519 3429.2301 6188.3124 299.1127 LDB: ============= START OF LOAD BALANCING ============== 194.701 LDB: ============== END OF LOAD BALANCING =============== 194.701 LDB: =============== DONE WITH MIGRATION ================ 194.701 LDB: ============= START OF LOAD BALANCING ============== 195.094 LDB: ============== END OF LOAD BALANCING =============== 195.094 LDB: =============== DONE WITH MIGRATION ================ 195.094 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: 192.785, 0.00392724/step Wall: 192.785, 0.00392724/step, 2.67445 hours remaining, 110.003906 MB of memory in use. ENERGY: 48400 648.7436 1850.8196 1944.0076 101.9382 1.8081 -1112.9040 0.0000 0.0000 2695.7778 6130.1909 297.7562 3434.4131 6161.9520 295.4468 PRESSURE: 48600 0 0 0 0 0 0 0 0 0 GPRESSURE: 48600 0 0 0 0 0 0 0 0 0 PRESSAVG: 48600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48600 0 0 0 0 0 0 0 0 0 TIMING: 48600 CPU: 193.569, 0.00392397/step Wall: 193.569, 0.00392397/step, 2.67201 hours remaining, 110.003906 MB of memory in use. ENERGY: 48600 674.2422 1797.8964 1948.1618 110.8214 2.1686 -1083.2799 0.0000 0.0000 2714.1442 6164.1547 299.7848 3450.0104 6197.0025 297.0727 PRESSURE: 48800 0 0 0 0 0 0 0 0 0 GPRESSURE: 48800 0 0 0 0 0 0 0 0 0 PRESSAVG: 48800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 48800 0 0 0 0 0 0 0 0 0 TIMING: 48800 CPU: 194.354, 0.00392342/step Wall: 194.354, 0.00392342/step, 2.67141 hours remaining, 110.007812 MB of memory in use. ENERGY: 48800 620.9941 1863.2623 1962.5022 110.5618 0.8684 -1048.7191 0.0000 0.0000 2658.5664 6168.0361 293.6461 3509.4697 6199.4409 296.2672 PRESSURE: 49000 0 0 0 0 0 0 0 0 0 GPRESSURE: 49000 0 0 0 0 0 0 0 0 0 PRESSAVG: 49000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49000 0 0 0 0 0 0 0 0 0 TIMING: 49000 CPU: 195.138, 0.00392148/step Wall: 195.138, 0.00392148/step, 2.66987 hours remaining, 110.007812 MB of memory in use. ENERGY: 49000 680.1992 1825.7167 1948.5714 100.0489 1.2123 -1044.9294 0.0000 0.0000 2676.7232 6187.5423 295.6515 3510.8191 6217.0627 297.1220 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: 195.922, 0.0039162/step Wall: 195.922, 0.0039162/step, 2.66606 hours remaining, 110.011719 MB of memory in use. ENERGY: 49200 691.8812 1879.9240 1924.2238 93.9255 1.2143 -1099.8540 0.0000 0.0000 2709.6727 6200.9875 299.2909 3491.3148 6236.2257 298.1946 PRESSURE: 49400 0 0 0 0 0 0 0 0 0 GPRESSURE: 49400 0 0 0 0 0 0 0 0 0 PRESSAVG: 49400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49400 0 0 0 0 0 0 0 0 0 TIMING: 49400 CPU: 196.708, 0.00392984/step Wall: 196.708, 0.00392984/step, 2.67513 hours remaining, 110.011719 MB of memory in use. ENERGY: 49400 643.4120 1802.1378 1946.7597 100.7401 1.6014 -1102.0864 0.0000 0.0000 2742.3007 6134.8653 302.8947 3392.5646 6170.7122 296.6383 PRESSURE: 49600 0 0 0 0 0 0 0 0 0 GPRESSURE: 49600 0 0 0 0 0 0 0 0 0 PRESSAVG: 49600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49600 0 0 0 0 0 0 0 0 0 TIMING: 49600 CPU: 197.492, 0.00391967/step Wall: 197.492, 0.00391967/step, 2.66799 hours remaining, 110.011719 MB of memory in use. ENERGY: 49600 615.2099 1788.5817 1948.6285 104.5086 2.1716 -1052.3549 0.0000 0.0000 2748.7628 6155.5082 303.6085 3406.7453 6193.6914 296.6896 PRESSURE: 49800 0 0 0 0 0 0 0 0 0 GPRESSURE: 49800 0 0 0 0 0 0 0 0 0 PRESSAVG: 49800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 49800 0 0 0 0 0 0 0 0 0 TIMING: 49800 CPU: 198.275, 0.00391932/step Wall: 198.275, 0.00391932/step, 2.66753 hours remaining, 110.011719 MB of memory in use. ENERGY: 49800 639.7308 1878.8104 1966.1231 101.4114 1.8097 -1059.1884 0.0000 0.0000 2645.0517 6173.7486 292.1533 3528.6969 6205.3258 297.3716 PRESSURE: 50000 0 0 0 0 0 0 0 0 0 GPRESSURE: 50000 0 0 0 0 0 0 0 0 0 PRESSAVG: 50000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50000 0 0 0 0 0 0 0 0 0 TIMING: 50000 CPU: 199.059, 0.0039159/step Wall: 199.059, 0.0039159/step, 2.66498 hours remaining, 110.011719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 50000 653.1710 1867.2896 1948.6031 130.4386 1.8868 -1102.9879 0.0000 0.0000 2704.9024 6203.3036 298.7640 3498.4013 6233.2013 298.2825 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 50000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 50000 WRITING COORDINATES TO RESTART FILE AT STEP 50000 FINISHED WRITING RESTART COORDINATES The last position output (seq=50000) takes 0.010 seconds, 110.012 MB of memory in use WRITING VELOCITIES TO RESTART FILE AT STEP 50000 FINISHED WRITING RESTART VELOCITIES The last velocity output (seq=50000) takes 0.008 seconds, 110.012 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: 199.88, 0.00410815/step Wall: 199.88, 0.00410815/step, 2.79559 hours remaining, 110.011719 MB of memory in use. ENERGY: 50200 645.2570 1838.5014 1932.2244 121.0064 1.3600 -1054.5902 0.0000 0.0000 2679.7176 6163.4766 295.9823 3483.7590 6194.5128 298.5794 PRESSURE: 50400 0 0 0 0 0 0 0 0 0 GPRESSURE: 50400 0 0 0 0 0 0 0 0 0 PRESSAVG: 50400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50400 0 0 0 0 0 0 0 0 0 TIMING: 50400 CPU: 200.664, 0.00391866/step Wall: 200.664, 0.00391866/step, 2.66643 hours remaining, 110.015625 MB of memory in use. ENERGY: 50400 661.1127 1846.8916 1922.0036 116.2305 1.0470 -1045.9247 0.0000 0.0000 2688.8889 6190.2495 296.9953 3501.3606 6220.6562 297.6448 PRESSURE: 50600 0 0 0 0 0 0 0 0 0 GPRESSURE: 50600 0 0 0 0 0 0 0 0 0 PRESSAVG: 50600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50600 0 0 0 0 0 0 0 0 0 TIMING: 50600 CPU: 201.448, 0.00392009/step Wall: 201.448, 0.00392009/step, 2.66719 hours remaining, 110.015625 MB of memory in use. ENERGY: 50600 701.0150 1865.6604 1933.6491 109.2227 3.8502 -1065.6355 0.0000 0.0000 2670.6307 6218.3926 294.9786 3547.7619 6247.9722 299.7420 PRESSURE: 50800 0 0 0 0 0 0 0 0 0 GPRESSURE: 50800 0 0 0 0 0 0 0 0 0 PRESSAVG: 50800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 50800 0 0 0 0 0 0 0 0 0 TIMING: 50800 CPU: 202.232, 0.00391872/step Wall: 202.232, 0.00391872/step, 2.66604 hours remaining, 110.015625 MB of memory in use. ENERGY: 50800 670.0162 1879.2398 1932.6005 93.7823 2.3092 -1091.3620 0.0000 0.0000 2681.8192 6168.4052 296.2144 3486.5860 6202.0004 299.9077 PRESSURE: 51000 0 0 0 0 0 0 0 0 0 GPRESSURE: 51000 0 0 0 0 0 0 0 0 0 PRESSAVG: 51000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51000 0 0 0 0 0 0 0 0 0 TIMING: 51000 CPU: 203.014, 0.00391372/step Wall: 203.014, 0.00391372/step, 2.66242 hours remaining, 110.015625 MB of memory in use. ENERGY: 51000 664.0120 1812.4669 1962.8279 113.9524 2.8696 -1077.7265 0.0000 0.0000 2668.7700 6147.1723 294.7731 3478.4023 6179.7205 295.4218 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: 203.799, 0.00392061/step Wall: 203.799, 0.00392061/step, 2.66688 hours remaining, 110.015625 MB of memory in use. ENERGY: 51200 641.8096 1792.3032 1967.1798 112.2513 2.8940 -1076.8501 0.0000 0.0000 2695.0018 6134.5895 297.6705 3439.5877 6167.4495 294.8626 PRESSURE: 51400 0 0 0 0 0 0 0 0 0 GPRESSURE: 51400 0 0 0 0 0 0 0 0 0 PRESSAVG: 51400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51400 0 0 0 0 0 0 0 0 0 TIMING: 51400 CPU: 204.583, 0.00392231/step Wall: 204.583, 0.00392231/step, 2.66782 hours remaining, 110.015625 MB of memory in use. ENERGY: 51400 645.2578 1869.4909 1970.3737 101.6363 1.4663 -1096.4934 0.0000 0.0000 2699.2066 6190.9382 298.1349 3491.7316 6220.9871 295.9971 PRESSURE: 51600 0 0 0 0 0 0 0 0 0 GPRESSURE: 51600 0 0 0 0 0 0 0 0 0 PRESSAVG: 51600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51600 0 0 0 0 0 0 0 0 0 TIMING: 51600 CPU: 205.367, 0.00392021/step Wall: 205.367, 0.00392021/step, 2.66618 hours remaining, 110.015625 MB of memory in use. ENERGY: 51600 634.5995 1846.7870 1980.6110 111.2917 0.8682 -1067.9862 0.0000 0.0000 2703.5024 6209.6736 298.6094 3506.1712 6242.2348 298.5072 PRESSURE: 51800 0 0 0 0 0 0 0 0 0 GPRESSURE: 51800 0 0 0 0 0 0 0 0 0 PRESSAVG: 51800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 51800 0 0 0 0 0 0 0 0 0 TIMING: 51800 CPU: 206.151, 0.0039203/step Wall: 206.151, 0.0039203/step, 2.66602 hours remaining, 110.015625 MB of memory in use. ENERGY: 51800 651.8604 1861.1100 1944.2748 108.8447 1.6086 -1095.8263 0.0000 0.0000 2747.2000 6219.0723 303.4359 3471.8723 6255.5510 298.9383 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: 206.934, 0.00391515/step Wall: 206.934, 0.00391515/step, 2.6623 hours remaining, 110.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 52000 659.2722 1869.8586 1955.4620 107.7621 2.0773 -1072.3620 0.0000 0.0000 2730.8206 6252.8909 301.6267 3522.0702 6286.2755 302.3823 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: 207.719, 0.003922/step Wall: 207.719, 0.003922/step, 2.66674 hours remaining, 110.015625 MB of memory in use. ENERGY: 52200 675.5518 1898.7486 1990.4532 107.3533 0.0500 -1102.0353 0.0000 0.0000 2670.1467 6240.2683 294.9251 3570.1216 6268.5858 300.6808 LDB: ============= START OF LOAD BALANCING ============== 210.421 LDB: ============== END OF LOAD BALANCING =============== 210.421 LDB: =============== DONE WITH MIGRATION ================ 210.421 LDB: ============= START OF LOAD BALANCING ============== 210.813 LDB: ============== END OF LOAD BALANCING =============== 210.813 LDB: =============== DONE WITH MIGRATION ================ 210.813 PRESSURE: 52400 0 0 0 0 0 0 0 0 0 GPRESSURE: 52400 0 0 0 0 0 0 0 0 0 PRESSAVG: 52400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52400 0 0 0 0 0 0 0 0 0 TIMING: 52400 CPU: 208.504, 0.0039294/step Wall: 208.504, 0.0039294/step, 2.67156 hours remaining, 110.015625 MB of memory in use. ENERGY: 52400 690.2741 1892.2550 1924.7424 102.3559 2.4087 -1107.6274 0.0000 0.0000 2720.8984 6225.3071 300.5308 3504.4086 6257.5560 301.3696 PRESSURE: 52600 0 0 0 0 0 0 0 0 0 GPRESSURE: 52600 0 0 0 0 0 0 0 0 0 PRESSAVG: 52600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52600 0 0 0 0 0 0 0 0 0 TIMING: 52600 CPU: 209.289, 0.00392269/step Wall: 209.289, 0.00392269/step, 2.66678 hours remaining, 110.015625 MB of memory in use. ENERGY: 52600 647.2193 1889.2286 1963.5828 114.3630 1.5088 -1094.9746 0.0000 0.0000 2689.6078 6210.5357 297.0747 3520.9279 6240.0478 300.6192 PRESSURE: 52800 0 0 0 0 0 0 0 0 0 GPRESSURE: 52800 0 0 0 0 0 0 0 0 0 PRESSAVG: 52800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 52800 0 0 0 0 0 0 0 0 0 TIMING: 52800 CPU: 210.072, 0.00391622/step Wall: 210.072, 0.00391622/step, 2.66216 hours remaining, 110.015625 MB of memory in use. ENERGY: 52800 662.5607 1874.2719 1940.1034 110.4334 1.9406 -1100.9271 0.0000 0.0000 2691.0193 6179.4020 297.2306 3488.3828 6210.5455 299.0729 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: 210.857, 0.00392268/step Wall: 210.857, 0.00392268/step, 2.66633 hours remaining, 110.015625 MB of memory in use. ENERGY: 53000 643.1800 1911.1680 1953.3176 102.8775 2.2939 -1102.2312 0.0000 0.0000 2687.5767 6198.1825 296.8503 3510.6058 6230.4738 298.9304 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: 211.641, 0.00392136/step Wall: 211.641, 0.00392137/step, 2.66522 hours remaining, 110.015625 MB of memory in use. ENERGY: 53200 638.0705 1892.1843 1971.5100 98.7752 1.6993 -1108.7350 0.0000 0.0000 2655.8223 6149.3267 293.3430 3493.5044 6181.0016 297.5830 PRESSURE: 53400 0 0 0 0 0 0 0 0 0 GPRESSURE: 53400 0 0 0 0 0 0 0 0 0 PRESSAVG: 53400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53400 0 0 0 0 0 0 0 0 0 TIMING: 53400 CPU: 212.426, 0.00392335/step Wall: 212.426, 0.00392335/step, 2.66635 hours remaining, 110.015625 MB of memory in use. ENERGY: 53400 665.0741 1876.0559 1969.3290 107.6318 1.1280 -1067.6045 0.0000 0.0000 2628.8062 6180.4206 290.3590 3551.6145 6210.4774 296.1498 PRESSURE: 53600 0 0 0 0 0 0 0 0 0 GPRESSURE: 53600 0 0 0 0 0 0 0 0 0 PRESSAVG: 53600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 53600 0 0 0 0 0 0 0 0 0 TIMING: 53600 CPU: 213.21, 0.00392244/step Wall: 213.21, 0.00392244/step, 2.66551 hours remaining, 110.015625 MB of memory in use. ENERGY: 53600 631.0159 1809.9774 1981.8768 120.4456 0.7977 -1069.5580 0.0000 0.0000 2717.9451 6192.5006 300.2046 3474.5555 6225.1492 298.7722 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: 213.994, 0.00391681/step Wall: 213.994, 0.00391681/step, 2.66148 hours remaining, 110.015625 MB of memory in use. ENERGY: 53800 693.4727 1841.2114 1976.9521 96.1990 0.5631 -1098.9427 0.0000 0.0000 2700.7807 6210.2364 298.3088 3509.4557 6240.6421 299.3956 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: 214.778, 0.00392333/step Wall: 214.778, 0.00392333/step, 2.66568 hours remaining, 110.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 54000 653.2490 1812.2530 1998.7040 103.9630 1.0947 -1071.7552 0.0000 0.0000 2732.7161 6230.2247 301.8361 3497.5086 6264.3911 299.8963 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: 215.563, 0.00392187/step Wall: 215.563, 0.00392187/step, 2.66447 hours remaining, 110.015625 MB of memory in use. ENERGY: 54200 641.2292 1840.9265 1970.9760 102.7954 1.1944 -1089.0549 0.0000 0.0000 2720.5755 6188.6421 300.4951 3468.0666 6221.9721 301.3381 PRESSURE: 54400 0 0 0 0 0 0 0 0 0 GPRESSURE: 54400 0 0 0 0 0 0 0 0 0 PRESSAVG: 54400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54400 0 0 0 0 0 0 0 0 0 TIMING: 54400 CPU: 216.347, 0.00392201/step Wall: 216.347, 0.00392201/step, 2.66435 hours remaining, 110.015625 MB of memory in use. ENERGY: 54400 653.5895 1868.4453 1964.9414 118.5777 1.4209 -1124.0977 0.0000 0.0000 2709.2427 6192.1197 299.2434 3482.8771 6226.5258 299.2473 PRESSURE: 54600 0 0 0 0 0 0 0 0 0 GPRESSURE: 54600 0 0 0 0 0 0 0 0 0 PRESSAVG: 54600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 54600 0 0 0 0 0 0 0 0 0 TIMING: 54600 CPU: 217.131, 0.00392156/step Wall: 217.131, 0.00392156/step, 2.66383 hours remaining, 110.015625 MB of memory in use. ENERGY: 54600 669.5606 1859.5877 1967.8524 109.4096 0.9296 -1097.3736 0.0000 0.0000 2720.5595 6230.5258 300.4934 3509.9663 6261.3184 300.1045 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: 217.914, 0.00391534/step Wall: 217.914, 0.00391534/step, 2.65939 hours remaining, 110.015625 MB of memory in use. ENERGY: 54800 687.7958 1822.0918 1982.7017 103.5047 0.7699 -1110.6131 0.0000 0.0000 2748.4380 6234.6888 303.5726 3486.2508 6267.8739 300.5361 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: 218.699, 0.00392361/step Wall: 218.699, 0.00392361/step, 2.66478 hours remaining, 110.015625 MB of memory in use. ENERGY: 55000 629.0463 1894.0414 1944.3625 101.6419 2.7279 -1063.1085 0.0000 0.0000 2734.9662 6243.6775 302.0846 3508.7114 6276.3537 301.9771 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: 219.484, 0.00392426/step Wall: 219.484, 0.00392426/step, 2.66501 hours remaining, 110.015625 MB of memory in use. ENERGY: 55200 687.9594 1877.6063 1952.4403 92.3897 1.3179 -1101.2470 0.0000 0.0000 2739.8902 6250.3568 302.6285 3510.4666 6282.5189 303.0752 PRESSURE: 55400 0 0 0 0 0 0 0 0 0 GPRESSURE: 55400 0 0 0 0 0 0 0 0 0 PRESSAVG: 55400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55400 0 0 0 0 0 0 0 0 0 TIMING: 55400 CPU: 220.268, 0.00392227/step Wall: 220.268, 0.00392227/step, 2.66344 hours remaining, 110.015625 MB of memory in use. ENERGY: 55400 690.8166 1842.8322 1973.7961 115.6520 2.6628 -1064.5759 0.0000 0.0000 2673.7699 6234.9536 295.3253 3561.1837 6265.3320 300.1298 PRESSURE: 55600 0 0 0 0 0 0 0 0 0 GPRESSURE: 55600 0 0 0 0 0 0 0 0 0 PRESSAVG: 55600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 55600 0 0 0 0 0 0 0 0 0 TIMING: 55600 CPU: 221.052, 0.00391736/step Wall: 221.052, 0.00391736/step, 2.65989 hours remaining, 110.015625 MB of memory in use. ENERGY: 55600 696.6770 1839.1880 1967.5879 105.4889 2.1916 -1128.5737 0.0000 0.0000 2736.7580 6219.3177 302.2825 3482.5597 6253.6337 300.6634 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: 221.837, 0.0039232/step Wall: 221.837, 0.0039232/step, 2.66363 hours remaining, 110.015625 MB of memory in use. ENERGY: 55800 634.5417 1820.8204 1983.7083 99.3911 2.2661 -1080.0869 0.0000 0.0000 2749.4783 6210.1191 303.6875 3460.6408 6245.1486 301.4968 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: 222.621, 0.00392229/step Wall: 222.621, 0.00392229/step, 2.6628 hours remaining, 110.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 56000 639.9401 1820.4044 1964.5624 116.5457 1.1652 -1063.1811 0.0000 0.0000 2677.2195 6156.6563 295.7064 3479.4368 6190.3282 298.3219 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: 223.405, 0.00392218/step Wall: 223.405, 0.00392218/step, 2.6625 hours remaining, 110.015625 MB of memory in use. ENERGY: 56200 667.0105 1808.4371 1962.0388 112.5557 1.7196 -1062.9149 0.0000 0.0000 2719.5829 6208.4296 300.3855 3488.8467 6242.6642 299.3253 LDB: ============= START OF LOAD BALANCING ============== 226.106 LDB: ============== END OF LOAD BALANCING =============== 226.106 LDB: =============== DONE WITH MIGRATION ================ 226.106 LDB: ============= START OF LOAD BALANCING ============== 226.5 LDB: ============== END OF LOAD BALANCING =============== 226.5 LDB: =============== DONE WITH MIGRATION ================ 226.5 PRESSURE: 56400 0 0 0 0 0 0 0 0 0 GPRESSURE: 56400 0 0 0 0 0 0 0 0 0 PRESSAVG: 56400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 56400 0 0 0 0 0 0 0 0 0 TIMING: 56400 CPU: 224.191, 0.00392594/step Wall: 224.191, 0.00392594/step, 2.66484 hours remaining, 110.015625 MB of memory in use. ENERGY: 56400 676.5062 1820.7806 1956.5467 113.5941 1.2717 -1074.7124 0.0000 0.0000 2725.0111 6218.9980 300.9851 3493.9869 6252.1191 299.1518 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: 224.974, 0.00391668/step Wall: 224.974, 0.00391668/step, 2.65834 hours remaining, 110.015625 MB of memory in use. ENERGY: 56600 624.7176 1865.3765 1952.0108 117.3605 1.0472 -1064.1281 0.0000 0.0000 2699.1137 6195.4983 298.1246 3496.3846 6227.4659 299.8074 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: 225.759, 0.00392302/step Wall: 225.759, 0.00392302/step, 2.66242 hours remaining, 110.015625 MB of memory in use. ENERGY: 56800 663.4370 1806.3575 1968.3279 109.0050 1.0188 -1107.6064 0.0000 0.0000 2726.5909 6167.1307 301.1596 3440.5398 6200.7394 297.3857 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: 226.543, 0.0039239/step Wall: 226.543, 0.0039239/step, 2.6628 hours remaining, 110.015625 MB of memory in use. ENERGY: 57000 615.1263 1870.1227 1949.0682 105.2979 0.7866 -1073.2124 0.0000 0.0000 2697.4855 6164.6748 297.9448 3467.1893 6197.0759 296.5972 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: 227.328, 0.00392387/step Wall: 227.328, 0.00392387/step, 2.66256 hours remaining, 110.015625 MB of memory in use. ENERGY: 57200 654.4083 1834.1307 1970.5220 100.8642 2.1628 -1107.3471 0.0000 0.0000 2701.1255 6155.8663 298.3468 3454.7408 6189.0379 298.2593 PRESSURE: 57400 0 0 0 0 0 0 0 0 0 GPRESSURE: 57400 0 0 0 0 0 0 0 0 0 PRESSAVG: 57400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 57400 0 0 0 0 0 0 0 0 0 TIMING: 57400 CPU: 228.111, 0.00391665/step Wall: 228.111, 0.00391665/step, 2.65744 hours remaining, 110.015625 MB of memory in use. ENERGY: 57400 648.4808 1860.7566 1942.4227 107.0596 0.8513 -1104.5316 0.0000 0.0000 2667.0875 6122.1270 294.5872 3455.0394 6158.5934 296.8146 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: 228.896, 0.00392452/step Wall: 228.896, 0.00392452/step, 2.66257 hours remaining, 110.015625 MB of memory in use. ENERGY: 57600 610.2476 1798.8493 1952.8389 102.5820 2.3091 -1064.7500 0.0000 0.0000 2742.2157 6144.2926 302.8854 3402.0769 6178.3352 296.3051 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: 229.681, 0.00392249/step Wall: 229.681, 0.0039225/step, 2.66098 hours remaining, 110.015625 MB of memory in use. ENERGY: 57800 611.7056 1847.9834 1947.2674 107.4771 2.8222 -1069.5272 0.0000 0.0000 2688.0639 6135.7924 296.9041 3447.7285 6170.3604 297.7239 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: 230.466, 0.00392399/step Wall: 230.466, 0.00392399/step, 2.66177 hours remaining, 110.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 58000 666.5148 1875.2502 1962.0350 105.1715 2.1551 -1106.6975 0.0000 0.0000 2637.5739 6142.0030 291.3274 3504.4291 6171.9072 297.1186 PRESSURE: 58200 0 0 0 0 0 0 0 0 0 GPRESSURE: 58200 0 0 0 0 0 0 0 0 0 PRESSAVG: 58200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58200 0 0 0 0 0 0 0 0 0 TIMING: 58200 CPU: 231.25, 0.00392151/step Wall: 231.25, 0.00392151/step, 2.65988 hours remaining, 110.015625 MB of memory in use. ENERGY: 58200 647.7991 1806.6728 1960.8870 102.0204 1.7780 -1082.3051 0.0000 0.0000 2716.3067 6153.1589 300.0236 3436.8522 6187.7409 298.4036 PRESSURE: 58400 0 0 0 0 0 0 0 0 0 GPRESSURE: 58400 0 0 0 0 0 0 0 0 0 PRESSAVG: 58400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 58400 0 0 0 0 0 0 0 0 0 TIMING: 58400 CPU: 232.033, 0.0039152/step Wall: 232.033, 0.0039152/step, 2.65538 hours remaining, 110.015625 MB of memory in use. ENERGY: 58400 648.3541 1854.0942 1961.5680 112.2398 0.9566 -1080.5018 0.0000 0.0000 2653.7366 6150.4476 293.1126 3496.7109 6183.3265 298.4272 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: 232.817, 0.00392245/step Wall: 232.817, 0.00392245/step, 2.66007 hours remaining, 110.015625 MB of memory in use. ENERGY: 58600 655.5377 1832.0710 1928.2382 109.5816 0.9681 -1050.4673 0.0000 0.0000 2702.5823 6178.5115 298.5077 3475.9292 6212.0769 297.4610 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: 233.602, 0.00392264/step Wall: 233.602, 0.00392264/step, 2.65999 hours remaining, 110.015625 MB of memory in use. ENERGY: 58800 649.4914 1910.0893 1943.8630 91.2382 2.0789 -1127.1546 0.0000 0.0000 2686.9441 6156.5502 296.7805 3469.6062 6189.4090 298.2824 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: 234.387, 0.00392434/step Wall: 234.387, 0.00392434/step, 2.66092 hours remaining, 110.015625 MB of memory in use. ENERGY: 59000 649.3543 1827.2729 1958.3385 102.4928 1.0226 -1113.2886 0.0000 0.0000 2700.3056 6125.4983 298.2563 3425.1926 6158.7669 297.5972 PRESSURE: 59200 0 0 0 0 0 0 0 0 0 GPRESSURE: 59200 0 0 0 0 0 0 0 0 0 PRESSAVG: 59200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 59200 0 0 0 0 0 0 0 0 0 TIMING: 59200 CPU: 235.171, 0.00392164/step Wall: 235.171, 0.00392164/step, 2.65887 hours remaining, 110.015625 MB of memory in use. ENERGY: 59200 650.9092 1833.1668 1974.1086 95.9013 2.2851 -1123.7164 0.0000 0.0000 2711.1097 6143.7644 299.4496 3432.6547 6175.0672 297.1688 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: 235.954, 0.00391575/step Wall: 235.954, 0.00391575/step, 2.65466 hours remaining, 110.015625 MB of memory in use. ENERGY: 59400 613.3647 1894.1413 1953.5578 116.8077 1.3929 -1109.0218 0.0000 0.0000 2739.2266 6209.4692 302.5552 3470.2426 6244.1059 299.2670 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: 236.742, 0.0039374/step Wall: 236.742, 0.0039374/step, 2.66912 hours remaining, 110.015625 MB of memory in use. ENERGY: 59600 671.2182 1869.5556 1952.8579 105.1085 2.6039 -1090.1616 0.0000 0.0000 2718.7541 6229.9366 300.2940 3511.1825 6262.5278 301.5705 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: 237.526, 0.00392076/step Wall: 237.526, 0.00392076/step, 2.65762 hours remaining, 110.015625 MB of memory in use. ENERGY: 59800 658.0978 1857.8387 1942.6296 100.4505 2.9295 -1108.5812 0.0000 0.0000 2747.0811 6200.4460 303.4228 3453.3650 6236.2692 300.5703 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: 238.31, 0.00392075/step Wall: 238.31, 0.00392075/step, 2.6574 hours remaining, 110.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 60000 645.9378 1914.8408 1926.8770 103.0975 0.7870 -1106.2109 0.0000 0.0000 2775.8557 6261.1849 306.6010 3485.3291 6294.0621 301.1508 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 60000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 60000 WRITING COORDINATES TO RESTART FILE AT STEP 60000 FINISHED WRITING RESTART COORDINATES The last position output (seq=60000) takes 0.048 seconds, 110.016 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: 242.107, 0.0189823/step Wall: 242.107, 0.0189823/step, 12.8647 hours remaining, 110.015625 MB of memory in use. ENERGY: 60200 643.7312 1851.2267 1959.1034 110.5664 2.5557 -1051.0752 0.0000 0.0000 2671.4622 6187.5704 295.0704 3516.1081 6219.2892 300.9044 LDB: ============= START OF LOAD BALANCING ============== 244.809 LDB: ============== END OF LOAD BALANCING =============== 244.809 LDB: =============== DONE WITH MIGRATION ================ 244.809 LDB: ============= START OF LOAD BALANCING ============== 245.201 LDB: ============== END OF LOAD BALANCING =============== 245.201 LDB: =============== DONE WITH MIGRATION ================ 245.201 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: 242.892, 0.00392683/step Wall: 242.892, 0.00392683/step, 2.66108 hours remaining, 110.015625 MB of memory in use. ENERGY: 60400 618.9599 1892.1006 1968.7321 108.6617 1.7902 -1069.9919 0.0000 0.0000 2724.7631 6245.0157 300.9577 3520.2526 6277.2680 300.0623 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: 243.676, 0.00392065/step Wall: 243.676, 0.00392065/step, 2.65667 hours remaining, 110.015625 MB of memory in use. ENERGY: 60600 634.4052 1890.8310 1944.7538 100.4354 1.8116 -1085.9366 0.0000 0.0000 2682.6540 6168.9544 296.3066 3486.3005 6200.3164 301.3981 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: 244.463, 0.00393311/step Wall: 244.463, 0.00393311/step, 2.6649 hours remaining, 110.015625 MB of memory in use. ENERGY: 60800 659.0079 1848.7045 1954.3085 114.8767 0.5063 -1082.5446 0.0000 0.0000 2712.0077 6206.8670 299.5488 3494.8593 6240.4166 299.1173 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: 245.248, 0.00392397/step Wall: 245.248, 0.00392397/step, 2.65849 hours remaining, 110.015625 MB of memory in use. ENERGY: 61000 667.1997 1889.1960 1956.2202 114.2267 1.6568 -1117.4565 0.0000 0.0000 2704.6277 6215.6706 298.7337 3511.0429 6248.3604 300.6675 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: 246.031, 0.00391654/step Wall: 246.031, 0.00391654/step, 2.65324 hours remaining, 110.015625 MB of memory in use. ENERGY: 61200 635.3700 1850.0607 1957.1244 111.1979 1.7886 -1109.0870 0.0000 0.0000 2700.0281 6146.4826 298.2256 3446.4545 6181.2807 298.9767 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: 246.815, 0.00391912/step Wall: 246.815, 0.00391912/step, 2.65477 hours remaining, 110.015625 MB of memory in use. ENERGY: 61400 668.6015 1821.4346 1941.1536 105.2990 2.5557 -1115.1707 0.0000 0.0000 2721.3077 6145.1812 300.5760 3423.8735 6180.7668 296.9408 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: 247.599, 0.00391976/step Wall: 247.599, 0.00391976/step, 2.65498 hours remaining, 110.015625 MB of memory in use. ENERGY: 61600 654.5561 1853.0279 1935.2599 97.9497 3.1949 -1114.3152 0.0000 0.0000 2702.6972 6132.3704 298.5204 3429.6732 6162.5698 297.2459 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: 248.383, 0.00392074/step Wall: 248.383, 0.00392074/step, 2.65543 hours remaining, 110.015625 MB of memory in use. ENERGY: 61800 639.0528 1857.9584 1964.9933 92.8950 1.7601 -1099.2101 0.0000 0.0000 2715.6113 6173.0608 299.9468 3457.4495 6204.4271 296.6631 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: 249.166, 0.0039142/step Wall: 249.166, 0.00391421/step, 2.65079 hours remaining, 110.015625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 62000 667.1210 1860.0838 1939.5988 98.7371 2.7474 -1065.3566 0.0000 0.0000 2694.2512 6197.1827 297.5875 3502.9315 6227.6290 298.6006 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: 249.949, 0.00391933/step Wall: 249.949, 0.00391933/step, 2.65404 hours remaining, 110.023438 MB of memory in use. ENERGY: 62200 670.3871 1870.0268 1943.5135 100.8408 2.5853 -1086.6535 0.0000 0.0000 2684.7766 6185.4767 296.5411 3500.7002 6217.9380 297.4335 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: 250.734, 0.00392298/step Wall: 250.734, 0.00392298/step, 2.65629 hours remaining, 110.023438 MB of memory in use. ENERGY: 62400 685.3751 1783.6049 1972.4517 101.9308 3.0495 -1097.2877 0.0000 0.0000 2724.3807 6173.5049 300.9154 3449.1242 6206.4082 298.4886 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: 251.518, 0.00392079/step Wall: 251.518, 0.00392079/step, 2.65459 hours remaining, 110.023438 MB of memory in use. ENERGY: 62600 660.5896 1804.6782 1975.4742 109.4944 3.6438 -1101.4373 0.0000 0.0000 2703.7027 6156.1455 298.6315 3452.4428 6186.7852 296.4457 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: 252.302, 0.00392016/step Wall: 252.302, 0.00392016/step, 2.65395 hours remaining, 110.023438 MB of memory in use. ENERGY: 62800 633.5483 1880.1267 1945.3374 110.1681 2.3029 -1085.3832 0.0000 0.0000 2701.0694 6187.1696 298.3406 3486.1002 6219.6334 298.2842 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: 253.085, 0.00391581/step Wall: 253.085, 0.00391581/step, 2.65079 hours remaining, 110.023438 MB of memory in use. ENERGY: 63000 634.1169 1880.3928 1970.1302 122.9928 2.9930 -1053.5583 0.0000 0.0000 2713.8464 6270.9138 299.7519 3557.0674 6303.8094 300.0276 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: 253.869, 0.00391993/step Wall: 253.869, 0.00391993/step, 2.65335 hours remaining, 110.023438 MB of memory in use. ENERGY: 63200 682.6492 1819.8661 1955.1734 104.0981 2.1027 -1109.2620 0.0000 0.0000 2795.5890 6250.2164 308.7806 3454.6275 6283.8736 301.6527 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: 254.654, 0.00392152/step Wall: 254.654, 0.00392152/step, 2.65422 hours remaining, 110.023438 MB of memory in use. ENERGY: 63400 608.1736 1838.8093 1967.8304 116.8288 1.9449 -1112.9219 0.0000 0.0000 2765.9375 6186.6026 305.5055 3420.6651 6224.1232 299.7601 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: 255.438, 0.00392151/step Wall: 255.438, 0.00392151/step, 2.65399 hours remaining, 110.023438 MB of memory in use. ENERGY: 63600 660.5180 1841.7445 1941.6951 102.9253 2.6918 -1068.3537 0.0000 0.0000 2695.9527 6177.1737 297.7755 3481.2210 6207.5111 297.5587 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: 256.222, 0.00392108/step Wall: 256.222, 0.00392108/step, 2.65348 hours remaining, 110.023438 MB of memory in use. ENERGY: 63800 650.7496 1850.2319 1945.3798 115.4157 1.8280 -1098.4936 0.0000 0.0000 2711.4581 6176.5695 299.4881 3465.1114 6212.3405 297.8142 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: 257.006, 0.00391755/step Wall: 257.006, 0.00391755/step, 2.65087 hours remaining, 110.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 64000 634.7078 1844.7869 1976.0907 102.7040 2.3098 -1100.0108 0.0000 0.0000 2701.2258 6161.8140 298.3579 3460.5883 6197.7001 297.2947 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: 257.79, 0.00392106/step Wall: 257.79, 0.00392106/step, 2.65303 hours remaining, 110.023438 MB of memory in use. ENERGY: 64200 649.8664 1864.7028 1941.5421 106.7505 3.4676 -1124.5243 0.0000 0.0000 2702.8300 6144.6350 298.5351 3441.8050 6175.1719 298.9238 LDB: ============= START OF LOAD BALANCING ============== 260.491 LDB: ============== END OF LOAD BALANCING =============== 260.491 LDB: =============== DONE WITH MIGRATION ================ 260.491 LDB: ============= START OF LOAD BALANCING ============== 260.884 LDB: ============== END OF LOAD BALANCING =============== 260.884 LDB: =============== DONE WITH MIGRATION ================ 260.884 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: 258.575, 0.00392721/step Wall: 258.575, 0.00392721/step, 2.65698 hours remaining, 110.023438 MB of memory in use. ENERGY: 64400 666.3290 1817.0394 1960.4929 100.1261 1.8688 -1035.2767 0.0000 0.0000 2666.3609 6176.9403 294.5070 3510.5794 6210.2599 297.9571 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: 259.36, 0.00392192/step Wall: 259.36, 0.00392192/step, 2.65318 hours remaining, 110.023438 MB of memory in use. ENERGY: 64600 674.3213 1863.5689 1938.6524 107.5490 2.6046 -1083.4730 0.0000 0.0000 2688.7427 6191.9658 296.9791 3503.2231 6225.2695 298.0387 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: 260.143, 0.0039172/step Wall: 260.143, 0.0039172/step, 2.64977 hours remaining, 110.023438 MB of memory in use. ENERGY: 64800 680.9020 1849.6618 1931.8311 99.8451 2.6680 -1091.6834 0.0000 0.0000 2683.3644 6156.5889 296.3851 3473.2246 6190.3589 297.5164 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: 260.928, 0.00392168/step Wall: 260.928, 0.00392168/step, 2.65258 hours remaining, 110.023438 MB of memory in use. ENERGY: 65000 652.1838 1794.4880 1944.7111 113.5432 2.4378 -1113.1590 0.0000 0.0000 2754.7536 6148.9585 304.2702 3394.2049 6187.4756 296.4449 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: 261.712, 0.00392205/step Wall: 261.712, 0.00392205/step, 2.65261 hours remaining, 110.023438 MB of memory in use. ENERGY: 65200 623.1028 1857.1265 1967.2712 121.6292 2.3056 -1089.5043 0.0000 0.0000 2689.9837 6171.9148 297.1162 3481.9310 6202.7859 297.8686 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: 262.496, 0.00392189/step Wall: 262.496, 0.00392189/step, 2.65229 hours remaining, 110.023438 MB of memory in use. ENERGY: 65400 676.6036 1783.4698 1989.3536 112.1790 1.9992 -1068.8876 0.0000 0.0000 2714.2496 6208.9671 299.7964 3494.7176 6242.6742 298.2071 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: 263.28, 0.00391973/step Wall: 263.28, 0.00391972/step, 2.6506 hours remaining, 110.023438 MB of memory in use. ENERGY: 65600 666.2322 1822.7567 1970.5820 110.8013 1.1113 -1102.2096 0.0000 0.0000 2700.8454 6170.1194 298.3159 3469.2740 6203.2215 300.7174 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: 264.063, 0.0039157/step Wall: 264.063, 0.0039157/step, 2.64767 hours remaining, 110.023438 MB of memory in use. ENERGY: 65800 701.1672 1799.3711 1982.2656 116.2761 1.8584 -1110.4618 0.0000 0.0000 2670.1969 6160.6734 294.9307 3490.4765 6192.5424 296.3281 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: 264.847, 0.00391971/step Wall: 264.847, 0.00391971/step, 2.65016 hours remaining, 110.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 66000 679.3517 1879.6265 1968.7535 103.8169 2.7270 -1117.8680 0.0000 0.0000 2618.2053 6134.6130 289.1881 3516.4076 6165.2343 295.5021 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: 265.631, 0.00392029/step Wall: 265.631, 0.00392029/step, 2.65033 hours remaining, 110.023438 MB of memory in use. ENERGY: 66200 650.6747 1868.7218 1967.9888 93.6989 1.8257 -1114.0537 0.0000 0.0000 2683.1917 6152.0478 296.3660 3468.8560 6185.3116 296.2721 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: 266.416, 0.00392252/step Wall: 266.416, 0.00392252/step, 2.65163 hours remaining, 110.023438 MB of memory in use. ENERGY: 66400 636.4323 1826.4185 1943.8984 101.5865 0.7849 -1050.2963 0.0000 0.0000 2725.9306 6184.7548 301.0866 3458.8243 6221.5004 296.5555 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: 267.199, 0.00391666/step Wall: 267.199, 0.00391666/step, 2.64744 hours remaining, 110.023438 MB of memory in use. ENERGY: 66600 647.7100 1864.5459 1976.5350 109.4274 1.3463 -1098.3417 0.0000 0.0000 2707.8682 6209.0910 299.0916 3501.2228 6243.7235 298.4934 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: 267.984, 0.00392277/step Wall: 267.984, 0.00392277/step, 2.65136 hours remaining, 110.023438 MB of memory in use. ENERGY: 66800 653.1593 1900.9450 1929.5352 108.3290 0.7024 -1106.3834 0.0000 0.0000 2751.5348 6237.8223 303.9147 3486.2875 6267.2275 300.5415 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: 268.768, 0.00392298/step Wall: 268.768, 0.00392298/step, 2.65128 hours remaining, 110.023438 MB of memory in use. ENERGY: 67000 632.9849 1859.3791 1949.8009 116.5171 0.3168 -1092.7644 0.0000 0.0000 2757.0863 6223.3208 304.5279 3466.2345 6254.7973 302.0653 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: 269.553, 0.00392308/step Wall: 269.553, 0.00392308/step, 2.65113 hours remaining, 110.023438 MB of memory in use. ENERGY: 67200 674.8838 1827.0119 1969.4067 114.2732 0.6383 -1085.4502 0.0000 0.0000 2740.4098 6241.1734 302.6859 3500.7636 6271.6058 301.2680 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: 270.338, 0.00392283/step Wall: 270.338, 0.00392283/step, 2.65074 hours remaining, 110.023438 MB of memory in use. ENERGY: 67400 639.7453 1876.5163 1950.5489 105.6479 1.0030 -1069.3616 0.0000 0.0000 2725.9248 6230.0245 301.0860 3504.0997 6265.0863 302.2896 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: 271.121, 0.00391875/step Wall: 271.121, 0.00391875/step, 2.64777 hours remaining, 110.023438 MB of memory in use. ENERGY: 67600 641.8097 1837.0039 1953.7698 102.0652 -1.1198 -1027.2304 0.0000 0.0000 2698.0311 6204.3295 298.0051 3506.2984 6238.9061 299.1856 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: 271.906, 0.00392285/step Wall: 271.906, 0.00392285/step, 2.65032 hours remaining, 110.023438 MB of memory in use. ENERGY: 67800 643.7426 1832.3265 1948.0617 94.4065 1.6494 -1071.8391 0.0000 0.0000 2691.4981 6139.8457 297.2835 3448.3475 6174.0033 297.9325 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: 272.69, 0.00392216/step Wall: 272.69, 0.00392216/step, 2.64964 hours remaining, 110.023438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 68000 653.2090 1864.7521 1931.6209 106.8041 1.4043 -1111.2893 0.0000 0.0000 2661.2606 6107.7618 293.9437 3446.5012 6141.0756 294.8667 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: 273.475, 0.00392272/step Wall: 273.475, 0.00392272/step, 2.6498 hours remaining, 110.023438 MB of memory in use. ENERGY: 68200 665.6334 1839.5680 1969.5405 115.3014 1.5756 -1092.7382 0.0000 0.0000 2629.3778 6128.2585 290.4221 3498.8808 6158.9752 295.6760 LDB: ============= START OF LOAD BALANCING ============== 276.176 LDB: ============== END OF LOAD BALANCING =============== 276.176 LDB: =============== DONE WITH MIGRATION ================ 276.176 LDB: ============= START OF LOAD BALANCING ============== 276.569 LDB: ============== END OF LOAD BALANCING =============== 276.569 LDB: =============== DONE WITH MIGRATION ================ 276.569 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: 274.26, 0.00392665/step Wall: 274.26, 0.00392665/step, 2.65223 hours remaining, 110.023438 MB of memory in use. ENERGY: 68400 628.6032 1837.4626 1948.5965 112.7278 1.2937 -1078.1618 0.0000 0.0000 2708.1218 6158.6437 299.1196 3450.5219 6190.2350 297.2997 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: 275.044, 0.00392024/step Wall: 275.044, 0.00392024/step, 2.64768 hours remaining, 110.023438 MB of memory in use. ENERGY: 68600 638.1841 1824.6733 1956.8939 118.0967 1.1742 -1073.3134 0.0000 0.0000 2694.6480 6160.3567 297.6314 3465.7088 6193.2516 297.2017 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: 275.829, 0.00392471/step Wall: 275.829, 0.00392471/step, 2.65049 hours remaining, 110.023438 MB of memory in use. ENERGY: 68800 645.4881 1838.6728 1968.3625 102.0724 1.7390 -1052.2446 0.0000 0.0000 2662.1229 6166.2130 294.0389 3504.0901 6199.2407 295.9672 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: 276.617, 0.00393862/step Wall: 276.617, 0.00393862/step, 2.65966 hours remaining, 110.023438 MB of memory in use. ENERGY: 69000 647.8189 1905.5320 1968.1598 110.8187 2.3943 -1081.7111 0.0000 0.0000 2636.5131 6189.5255 291.2102 3553.0124 6218.1778 296.7220 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: 277.402, 0.00392588/step Wall: 277.402, 0.00392588/step, 2.65084 hours remaining, 110.023438 MB of memory in use. ENERGY: 69200 668.9065 1831.2301 1970.8894 104.4898 0.2145 -1100.2882 0.0000 0.0000 2680.3400 6155.7821 296.0510 3475.4421 6185.1161 297.0333 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: 278.186, 0.0039217/step Wall: 278.186, 0.0039217/step, 2.6478 hours remaining, 110.023438 MB of memory in use. ENERGY: 69400 644.3720 1810.7164 1958.4538 109.7523 1.9565 -1116.0093 0.0000 0.0000 2718.9419 6128.1835 300.3147 3409.2416 6163.9537 297.1058 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: 278.972, 0.00392598/step Wall: 278.972, 0.00392598/step, 2.65047 hours remaining, 110.023438 MB of memory in use. ENERGY: 69600 653.8900 1810.3770 1949.6131 111.3515 1.6734 -1060.1844 0.0000 0.0000 2692.4883 6159.2089 297.3928 3466.7206 6190.9164 298.7837 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: 279.757, 0.00392621/step Wall: 279.757, 0.0039262/step, 2.65041 hours remaining, 110.027344 MB of memory in use. ENERGY: 69800 648.1196 1837.7605 1963.9024 94.9964 2.8751 -1091.4248 0.0000 0.0000 2679.8479 6136.0771 295.9967 3456.2292 6167.7785 295.4981 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: 280.543, 0.0039287/step Wall: 280.543, 0.0039287/step, 2.65187 hours remaining, 110.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 70000 642.6030 1845.9466 1944.0228 103.4009 1.4908 -1099.4551 0.0000 0.0000 2678.8800 6116.8891 295.8898 3438.0091 6146.6291 296.3543 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 70000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 70000 WRITING COORDINATES TO RESTART FILE AT STEP 70000 FINISHED WRITING RESTART COORDINATES The last position output (seq=70000) takes 0.011 seconds, 110.027 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: 282.349, 0.00903309/step Wall: 282.349, 0.00903309/step, 6.09684 hours remaining, 110.027344 MB of memory in use. ENERGY: 70200 658.8802 1863.2517 1941.4782 107.5313 2.0664 -1104.4061 0.0000 0.0000 2668.5387 6137.3402 294.7475 3468.8016 6168.2661 296.4464 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: 283.133, 0.00392081/step Wall: 283.133, 0.00392081/step, 2.64611 hours remaining, 110.027344 MB of memory in use. ENERGY: 70400 644.6048 1841.6448 1940.9258 105.0154 1.5297 -1101.2479 0.0000 0.0000 2689.8115 6122.2841 297.0972 3432.4725 6157.9474 296.6209 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: 283.919, 0.00392692/step Wall: 283.919, 0.00392692/step, 2.65002 hours remaining, 110.027344 MB of memory in use. ENERGY: 70600 654.8239 1868.6692 1933.2096 96.4268 1.6523 -1112.8116 0.0000 0.0000 2708.4523 6150.4225 299.1561 3441.9701 6181.9960 298.4841 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: 284.704, 0.00392715/step Wall: 284.704, 0.00392715/step, 2.64995 hours remaining, 110.027344 MB of memory in use. ENERGY: 70800 693.2945 1809.2765 2000.8530 100.5272 3.1262 -1080.8632 0.0000 0.0000 2653.1715 6179.3857 293.0502 3526.2142 6210.1091 298.3934 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: 285.49, 0.00392815/step Wall: 285.49, 0.00392815/step, 2.65041 hours remaining, 110.027344 MB of memory in use. ENERGY: 71000 695.1855 1821.5609 1935.5799 107.2738 1.6969 -1105.0688 0.0000 0.0000 2677.9278 6134.1559 295.7846 3456.2282 6169.4107 298.8833 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: 286.276, 0.00392922/step Wall: 286.276, 0.00392922/step, 2.65091 hours remaining, 110.027344 MB of memory in use. ENERGY: 71200 669.5424 1865.2917 1921.4592 95.3444 1.1370 -1078.3083 0.0000 0.0000 2687.2712 6161.7377 296.8166 3474.4665 6193.9931 297.1918 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: 287.06, 0.0039212/step Wall: 287.06, 0.0039212/step, 2.64528 hours remaining, 110.027344 MB of memory in use. ENERGY: 71400 624.5599 1844.9929 1918.1415 105.9127 2.0616 -1040.0341 0.0000 0.0000 2712.2566 6167.8910 299.5763 3455.6343 6201.0126 299.5778 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: 287.845, 0.00392469/step Wall: 287.845, 0.00392469/step, 2.64742 hours remaining, 110.027344 MB of memory in use. ENERGY: 71600 642.7534 1882.1501 1940.1443 110.6480 2.5619 -1082.7179 0.0000 0.0000 2704.8440 6200.3838 298.7576 3495.5398 6236.1471 299.7721 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: 288.63, 0.00392781/step Wall: 288.63, 0.00392781/step, 2.6493 hours remaining, 110.027344 MB of memory in use. ENERGY: 71800 663.9669 1885.8531 1961.1897 115.7806 1.2319 -1080.1632 0.0000 0.0000 2696.0212 6243.8802 297.7830 3547.8591 6274.5937 300.4103 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: 289.416, 0.00392662/step Wall: 289.416, 0.00392662/step, 2.64829 hours remaining, 110.027344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 72000 683.5548 1879.4521 1967.2737 101.4649 1.1969 -1098.8895 0.0000 0.0000 2748.5396 6282.5926 303.5839 3534.0530 6312.8345 301.7303 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: 290.2, 0.00392083/step Wall: 290.2, 0.00392083/step, 2.64416 hours remaining, 110.027344 MB of memory in use. ENERGY: 72200 676.0793 1935.0288 1948.4078 101.7492 0.3638 -1093.3197 0.0000 0.0000 2679.8498 6248.1590 295.9969 3568.3092 6276.3346 301.8670 LDB: ============= START OF LOAD BALANCING ============== 292.903 LDB: ============== END OF LOAD BALANCING =============== 292.903 LDB: =============== DONE WITH MIGRATION ================ 292.903 LDB: ============= START OF LOAD BALANCING ============== 293.295 LDB: ============== END OF LOAD BALANCING =============== 293.295 LDB: =============== DONE WITH MIGRATION ================ 293.295 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: 290.986, 0.00393297/step Wall: 290.986, 0.00393297/step, 2.65213 hours remaining, 110.031250 MB of memory in use. ENERGY: 72400 685.0556 1823.6778 1954.3537 107.5192 1.5886 -1110.7347 0.0000 0.0000 2736.0449 6197.5050 302.2038 3461.4601 6230.0726 300.0149 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: 291.772, 0.00392774/step Wall: 291.772, 0.00392774/step, 2.64839 hours remaining, 110.031250 MB of memory in use. ENERGY: 72600 659.2219 1848.7857 1989.4372 109.2649 1.2188 -1111.8963 0.0000 0.0000 2674.9080 6170.9402 295.4510 3496.0322 6204.9795 298.5495 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: 292.558, 0.0039299/step Wall: 292.558, 0.0039299/step, 2.64963 hours remaining, 110.031250 MB of memory in use. ENERGY: 72800 661.6742 1861.1439 1959.4735 109.9781 2.5773 -1096.9437 0.0000 0.0000 2721.7464 6219.6497 300.6245 3497.9033 6254.0085 300.4913 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: 293.343, 0.00392606/step Wall: 293.343, 0.00392606/step, 2.64682 hours remaining, 110.031250 MB of memory in use. ENERGY: 73000 672.2108 1867.6863 1931.3372 115.0812 1.0287 -1078.3163 0.0000 0.0000 2725.9996 6235.0274 301.0942 3509.0279 6265.9355 300.7853 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: 294.127, 0.00391935/step Wall: 294.127, 0.00391935/step, 2.64208 hours remaining, 110.031250 MB of memory in use. ENERGY: 73200 667.1060 1867.3663 1952.3324 118.6925 1.2024 -1082.8688 0.0000 0.0000 2723.9074 6247.7382 300.8632 3523.8308 6281.6741 301.6434 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: 294.912, 0.00392612/step Wall: 294.912, 0.00392612/step, 2.64643 hours remaining, 110.031250 MB of memory in use. ENERGY: 73400 635.8660 1825.1692 1958.4497 109.1749 1.5396 -1049.3846 0.0000 0.0000 2758.1864 6239.0013 304.6494 3480.8149 6271.4219 301.1363 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: 295.698, 0.00392626/step Wall: 295.698, 0.00392626/step, 2.6463 hours remaining, 110.031250 MB of memory in use. ENERGY: 73600 647.2484 1916.5644 1985.3771 101.6369 1.5414 -1134.2885 0.0000 0.0000 2748.1051 6266.1847 303.5359 3518.0796 6299.1124 303.6096 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: 296.483, 0.0039272/step Wall: 296.483, 0.0039272/step, 2.64671 hours remaining, 110.031250 MB of memory in use. ENERGY: 73800 686.2117 1834.9821 1954.9842 96.7023 1.8968 -1082.4264 0.0000 0.0000 2776.0977 6268.4484 306.6277 3492.3507 6304.1925 303.9078 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: 297.268, 0.00392565/step Wall: 297.268, 0.00392565/step, 2.64546 hours remaining, 110.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 74000 657.8070 1951.4275 1953.2918 105.2476 0.8570 -1105.3439 0.0000 0.0000 2706.3196 6269.6067 298.9205 3563.2871 6307.6871 302.6770 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: 298.052, 0.00392149/step Wall: 298.052, 0.00392149/step, 2.64243 hours remaining, 110.031250 MB of memory in use. ENERGY: 74200 658.9630 1839.7311 1954.0523 111.6865 1.3714 -1070.3404 0.0000 0.0000 2747.4662 6242.9302 303.4653 3495.4640 6277.6864 301.0292 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: 298.838, 0.00392977/step Wall: 298.838, 0.00392977/step, 2.64779 hours remaining, 110.031250 MB of memory in use. ENERGY: 74400 669.4772 1881.1856 1952.7781 107.0556 0.1164 -1067.8722 0.0000 0.0000 2660.1078 6202.8486 293.8163 3542.7408 6234.5224 298.8170 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: 299.623, 0.00392519/step Wall: 299.623, 0.00392519/step, 2.64449 hours remaining, 110.031250 MB of memory in use. ENERGY: 74600 644.3953 1819.3772 1951.5078 99.7392 1.4072 -1088.9866 0.0000 0.0000 2759.0280 6186.4681 304.7423 3427.4401 6222.5769 298.3827 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: 300.409, 0.00392595/step Wall: 300.409, 0.00392595/step, 2.64478 hours remaining, 110.031250 MB of memory in use. ENERGY: 74800 633.1466 1826.2684 1955.3939 97.6235 0.9624 -1077.4533 0.0000 0.0000 2720.9239 6156.8655 300.5336 3435.9416 6189.9766 297.9002 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: 301.193, 0.00392398/step Wall: 301.193, 0.00392398/step, 2.64323 hours remaining, 110.031250 MB of memory in use. ENERGY: 75000 648.4116 1825.3773 1920.7050 101.9219 0.1193 -1058.1094 0.0000 0.0000 2721.6489 6160.0745 300.6137 3438.4256 6193.7332 297.7590 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: 302.011, 0.00408843/step Wall: 302.011, 0.00408843/step, 2.75379 hours remaining, 110.031250 MB of memory in use. ENERGY: 75200 648.2975 1852.8457 1966.3156 114.0855 1.0377 -1093.1741 0.0000 0.0000 2662.1695 6151.5774 294.0440 3489.4079 6185.8064 296.7632 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: 302.796, 0.00392273/step Wall: 302.796, 0.00392273/step, 2.64196 hours remaining, 110.031250 MB of memory in use. ENERGY: 75400 619.8733 1835.1096 1930.4823 97.5529 0.5307 -1076.7002 0.0000 0.0000 2662.9552 6069.8039 294.1308 3406.8487 6103.5304 293.9978 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: 303.58, 0.00392216/step Wall: 303.58, 0.00392216/step, 2.64136 hours remaining, 110.031250 MB of memory in use. ENERGY: 75600 654.6098 1812.8790 1964.6455 102.2107 1.3042 -1099.9102 0.0000 0.0000 2656.5299 6092.2688 293.4211 3435.7390 6126.8942 293.7807 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: 304.405, 0.00412647/step Wall: 304.405, 0.00412647/step, 2.77872 hours remaining, 110.031250 MB of memory in use. ENERGY: 75800 643.8544 1836.7288 1953.8710 100.1460 1.8346 -1056.3167 0.0000 0.0000 2677.6546 6157.7727 295.7544 3480.1182 6189.3962 296.3161 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: 305.193, 0.00393631/step Wall: 305.193, 0.00393631/step, 2.65045 hours remaining, 110.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 76000 652.0246 1872.3202 1974.9622 110.9007 0.6693 -1077.9935 0.0000 0.0000 2647.9477 6180.8312 292.4732 3532.8835 6209.0450 296.3654 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: 305.981, 0.0039426/step Wall: 305.981, 0.0039426/step, 2.65447 hours remaining, 110.031250 MB of memory in use. ENERGY: 76200 630.8295 1845.2323 1968.8783 100.0089 0.2817 -1086.3623 0.0000 0.0000 2742.0226 6200.8909 302.8640 3458.8683 6233.4995 298.3449 LDB: ============= START OF LOAD BALANCING ============== 308.684 LDB: ============== END OF LOAD BALANCING =============== 308.684 LDB: =============== DONE WITH MIGRATION ================ 308.684 LDB: ============= START OF LOAD BALANCING ============== 309.077 LDB: ============== END OF LOAD BALANCING =============== 309.077 LDB: =============== DONE WITH MIGRATION ================ 309.077 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: 306.768, 0.00393661/step Wall: 306.768, 0.00393661/step, 2.65022 hours remaining, 110.031250 MB of memory in use. ENERGY: 76400 660.6422 1848.3266 1976.2608 111.3682 0.6318 -1068.1081 0.0000 0.0000 2667.0871 6196.2087 294.5872 3529.1215 6226.9786 299.7730 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: 307.555, 0.00393242/step Wall: 307.555, 0.00393242/step, 2.64717 hours remaining, 110.031250 MB of memory in use. ENERGY: 76600 649.6877 1858.6628 1990.5280 101.0933 0.8541 -1093.1809 0.0000 0.0000 2690.7374 6198.3824 297.1994 3507.6450 6230.5489 300.2671 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: 308.341, 0.00392818/step Wall: 308.341, 0.00392818/step, 2.6441 hours remaining, 110.031250 MB of memory in use. ENERGY: 76800 655.9317 1794.4141 1961.7056 107.7981 1.9957 -1063.5958 0.0000 0.0000 2764.8051 6223.0546 305.3804 3458.2495 6259.1484 299.4454 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: 309.125, 0.00392337/step Wall: 309.125, 0.00392337/step, 2.64065 hours remaining, 110.031250 MB of memory in use. ENERGY: 77000 671.0259 1856.3507 1961.8152 99.7028 1.7361 -1081.0669 0.0000 0.0000 2685.0433 6194.6072 296.5705 3509.5638 6227.6260 300.4553 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: 309.912, 0.00393463/step Wall: 309.912, 0.00393463/step, 2.64801 hours remaining, 110.031250 MB of memory in use. ENERGY: 77200 672.3394 1846.8778 1960.0071 99.7708 2.0314 -1063.0611 0.0000 0.0000 2694.4032 6212.3685 297.6043 3517.9653 6247.3414 298.8434 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: 310.7, 0.00393702/step Wall: 310.7, 0.00393702/step, 2.6494 hours remaining, 110.031250 MB of memory in use. ENERGY: 77400 655.6598 1866.5275 1953.7637 106.4260 1.3296 -1100.6326 0.0000 0.0000 2732.6414 6215.7154 301.8279 3483.0740 6246.9197 299.7523 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: 311.488, 0.00394332/step Wall: 311.488, 0.00394331/step, 2.65341 hours remaining, 110.031250 MB of memory in use. ENERGY: 77600 644.1916 1820.7568 1962.9378 117.2218 0.6151 -1064.2422 0.0000 0.0000 2693.3625 6174.8433 297.4894 3481.4808 6208.3021 298.8593 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: 312.275, 0.00393508/step Wall: 312.275, 0.00393509/step, 2.64766 hours remaining, 110.031250 MB of memory in use. ENERGY: 77800 633.5866 1832.4694 1971.7281 99.9385 1.4751 -1053.2438 0.0000 0.0000 2723.4986 6209.4524 300.8180 3485.9538 6241.1124 298.7671 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: 313.064, 0.00394292/step Wall: 313.064, 0.00394292/step, 2.65271 hours remaining, 110.031250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 78000 626.7029 1917.3977 1951.1462 112.5915 1.6538 -1092.5910 0.0000 0.0000 2771.3765 6288.2776 306.1063 3516.9011 6321.2712 302.6547 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: 313.852, 0.00394263/step Wall: 313.852, 0.00394263/step, 2.6523 hours remaining, 110.031250 MB of memory in use. ENERGY: 78200 698.3326 1856.3945 1987.1619 110.0645 2.1640 -1098.4706 0.0000 0.0000 2726.8900 6282.5369 301.1926 3555.6469 6316.8690 303.4400 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: 314.641, 0.00394221/step Wall: 314.641, 0.00394221/step, 2.65179 hours remaining, 110.031250 MB of memory in use. ENERGY: 78400 650.3068 1902.0714 1955.1378 122.7243 0.9613 -1065.1774 0.0000 0.0000 2689.0810 6255.1052 297.0165 3566.0242 6287.5801 303.4260 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: 315.43, 0.00394669/step Wall: 315.43, 0.00394669/step, 2.65458 hours remaining, 110.031250 MB of memory in use. ENERGY: 78600 660.4914 1893.8469 1946.8213 108.0729 0.2336 -1084.0781 0.0000 0.0000 2700.3791 6225.7671 298.2644 3525.3879 6257.0003 300.3248 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: 316.217, 0.00393608/step Wall: 316.217, 0.00393608/step, 2.64723 hours remaining, 110.031250 MB of memory in use. ENERGY: 78800 661.7457 1841.4342 1929.9813 119.3608 1.0132 -1065.0303 0.0000 0.0000 2760.7406 6249.2455 304.9315 3488.5049 6284.4382 301.9692 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: 317.006, 0.00394341/step Wall: 317.006, 0.00394341/step, 2.65194 hours remaining, 110.031250 MB of memory in use. ENERGY: 79000 677.7931 1857.3554 1929.3808 104.6526 0.2954 -1095.7395 0.0000 0.0000 2715.5279 6189.2657 299.9376 3473.7378 6222.7358 299.2764 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: 317.795, 0.0039426/step Wall: 317.795, 0.0039426/step, 2.65118 hours remaining, 110.031250 MB of memory in use. ENERGY: 79200 655.7034 1823.1370 1979.1206 102.4002 2.1892 -1076.0678 0.0000 0.0000 2641.5243 6128.0069 291.7637 3486.4825 6158.9894 295.7099 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: 318.583, 0.00394218/step Wall: 318.583, 0.00394218/step, 2.65068 hours remaining, 110.031250 MB of memory in use. ENERGY: 79400 665.1579 1861.3431 1956.5252 120.7385 0.5134 -1099.1399 0.0000 0.0000 2641.0321 6146.1702 291.7093 3505.1381 6178.6834 295.0481 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: 319.372, 0.00394361/step Wall: 319.372, 0.00394361/step, 2.65142 hours remaining, 110.031250 MB of memory in use. ENERGY: 79600 641.8934 1887.1604 1923.8921 107.7903 1.2649 -1059.9857 0.0000 0.0000 2689.0623 6191.0777 297.0144 3502.0154 6221.1081 297.5914 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: 320.159, 0.00393438/step Wall: 320.159, 0.00393438/step, 2.64499 hours remaining, 110.031250 MB of memory in use. ENERGY: 79800 667.1136 1891.3421 1946.1958 107.2065 1.0079 -1082.5057 0.0000 0.0000 2705.7938 6236.1540 298.8625 3530.3602 6266.3308 298.6552 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: 320.947, 0.00394323/step Wall: 320.947, 0.00394323/step, 2.65072 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 80000 674.9011 1939.2169 1958.0300 92.0898 1.4582 -1119.6307 0.0000 0.0000 2663.9103 6209.9755 294.2363 3546.0653 6242.2942 301.5976 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 80000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 80000 WRITING COORDINATES TO RESTART FILE AT STEP 80000 FINISHED WRITING RESTART COORDINATES The last position output (seq=80000) takes 0.011 seconds, 110.270 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: 323.204, 0.0112813/step Wall: 323.204, 0.0112813/step, 7.58288 hours remaining, 110.269531 MB of memory in use. ENERGY: 80200 653.1416 1874.4874 1941.9033 111.5460 0.8089 -1116.0366 0.0000 0.0000 2730.9955 6196.8462 301.6461 3465.8507 6230.4700 299.6786 LDB: ============= START OF LOAD BALANCING ============== 325.907 LDB: ============== END OF LOAD BALANCING =============== 325.907 LDB: =============== DONE WITH MIGRATION ================ 325.907 LDB: ============= START OF LOAD BALANCING ============== 326.301 LDB: ============== END OF LOAD BALANCING =============== 326.301 LDB: =============== DONE WITH MIGRATION ================ 326.301 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: 323.992, 0.00394275/step Wall: 323.992, 0.00394274/step, 2.64996 hours remaining, 110.269531 MB of memory in use. ENERGY: 80400 648.0976 1881.4194 1931.0226 101.4470 0.3177 -1091.2898 0.0000 0.0000 2728.3502 6199.3648 301.3539 3471.0146 6234.9271 299.4207 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: 324.778, 0.00392825/step Wall: 324.778, 0.00392825/step, 2.64 hours remaining, 110.269531 MB of memory in use. ENERGY: 80600 651.6284 1848.6751 1934.4619 95.3488 1.4671 -1094.7729 0.0000 0.0000 2711.9139 6148.7223 299.5384 3436.8084 6185.3979 297.5863 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: 325.563, 0.00392627/step Wall: 325.563, 0.00392627/step, 2.63846 hours remaining, 110.269531 MB of memory in use. ENERGY: 80800 669.3386 1919.1635 1948.1734 112.1742 0.7899 -1110.9206 0.0000 0.0000 2697.4629 6236.1820 297.9423 3538.7190 6268.2998 299.1115 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: 326.348, 0.00392678/step Wall: 326.348, 0.00392678/step, 2.63858 hours remaining, 110.269531 MB of memory in use. ENERGY: 81000 658.4296 1924.2343 1950.6871 106.4750 1.5779 -1095.5186 0.0000 0.0000 2751.2271 6297.1124 303.8807 3545.8853 6330.1020 302.6080 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: 327.132, 0.00391906/step Wall: 327.132, 0.00391906/step, 2.63317 hours remaining, 110.269531 MB of memory in use. ENERGY: 81200 658.4553 1894.6897 1959.7456 103.9018 1.2239 -1097.3852 0.0000 0.0000 2826.1098 6346.7408 312.1517 3520.6311 6381.8291 306.6516 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: 327.918, 0.00392736/step Wall: 327.918, 0.00392736/step, 2.63853 hours remaining, 110.269531 MB of memory in use. ENERGY: 81400 650.4255 1871.4277 1945.9630 107.5904 1.1566 -1090.8099 0.0000 0.0000 2799.5722 6285.3255 309.2205 3485.7533 6319.7812 305.9683 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: 328.703, 0.0039263/step Wall: 328.703, 0.0039263/step, 2.6376 hours remaining, 110.269531 MB of memory in use. ENERGY: 81600 683.4701 1856.2994 1985.3171 115.5747 0.3875 -1124.2045 0.0000 0.0000 2758.3197 6275.1640 304.6641 3516.8442 6310.9307 303.4907 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: 329.488, 0.00392388/step Wall: 329.488, 0.00392388/step, 2.63576 hours remaining, 110.269531 MB of memory in use. ENERGY: 81800 664.2494 1874.2386 1959.9959 100.5346 0.1412 -1090.1869 0.0000 0.0000 2730.2605 6239.2333 301.5649 3508.9728 6273.0600 302.7123 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: 330.271, 0.00391782/step Wall: 330.271, 0.00391782/step, 2.63147 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 82000 666.4312 1800.0132 1986.8772 113.5214 0.6400 -1068.7959 0.0000 0.0000 2768.3100 6266.9970 305.7675 3498.6870 6301.2887 301.4958 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: 331.057, 0.00392671/step Wall: 331.057, 0.00392671/step, 2.63722 hours remaining, 110.269531 MB of memory in use. ENERGY: 82200 650.1146 1849.0990 1983.4720 112.9457 0.9568 -1099.5353 0.0000 0.0000 2756.7369 6253.7897 304.4893 3497.0528 6287.5293 301.5708 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: 331.842, 0.00392591/step Wall: 331.842, 0.00392591/step, 2.63646 hours remaining, 110.269531 MB of memory in use. ENERGY: 82400 645.6814 1825.2048 1951.3314 97.6979 0.5334 -1041.4213 0.0000 0.0000 2725.4432 6204.4707 301.0328 3479.0275 6239.2544 300.5612 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: 332.627, 0.00392663/step Wall: 332.627, 0.00392663/step, 2.63674 hours remaining, 110.269531 MB of memory in use. ENERGY: 82600 662.8839 1870.4169 1940.0170 108.6066 -0.0324 -1098.2929 0.0000 0.0000 2710.8953 6194.4944 299.4259 3483.5991 6227.3239 298.2620 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: 333.412, 0.00392628/step Wall: 333.412, 0.00392628/step, 2.63628 hours remaining, 110.269531 MB of memory in use. ENERGY: 82800 663.7570 1844.8155 1949.6000 97.0287 -1.0407 -1109.2366 0.0000 0.0000 2736.6385 6181.5622 302.2693 3444.9237 6217.1662 298.7209 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: 334.196, 0.00391989/step Wall: 334.196, 0.00391989/step, 2.63177 hours remaining, 110.269531 MB of memory in use. ENERGY: 83000 700.3052 1859.3364 1942.0998 107.6388 0.0754 -1127.9114 0.0000 0.0000 2688.3061 6169.8504 296.9309 3481.5443 6203.8880 299.0886 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: 334.981, 0.00392518/step Wall: 334.981, 0.00392518/step, 2.6351 hours remaining, 110.269531 MB of memory in use. ENERGY: 83200 719.3093 1866.1159 1923.1757 109.7005 0.5422 -1100.6541 0.0000 0.0000 2670.5099 6188.6993 294.9653 3518.1894 6218.6407 300.0838 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: 335.767, 0.00392618/step Wall: 335.767, 0.00392618/step, 2.63556 hours remaining, 110.269531 MB of memory in use. ENERGY: 83400 633.8558 1807.9758 1934.5933 115.9170 1.7202 -1093.5196 0.0000 0.0000 2741.2269 6141.7695 302.7761 3400.5426 6179.6034 296.0738 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: 336.551, 0.0039246/step Wall: 336.551, 0.0039246/step, 2.63428 hours remaining, 110.269531 MB of memory in use. ENERGY: 83600 648.9003 1850.5943 1958.6804 110.3796 0.4872 -1110.0931 0.0000 0.0000 2720.7251 6179.6739 300.5117 3458.9488 6214.0487 296.8611 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: 337.335, 0.00391988/step Wall: 337.335, 0.00391988/step, 2.63089 hours remaining, 110.269531 MB of memory in use. ENERGY: 83800 647.6610 1864.6110 1980.5658 107.3292 0.4086 -1101.4016 0.0000 0.0000 2712.4853 6211.6594 299.6016 3499.1741 6244.9170 300.6139 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: 338.12, 0.00392326/step Wall: 338.12, 0.00392326/step, 2.63294 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 84000 631.9986 1861.9179 1988.8710 124.0588 0.7735 -1110.7791 0.0000 0.0000 2704.8396 6201.6803 298.7571 3496.8407 6236.8028 300.7167 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: 338.905, 0.00392591/step Wall: 338.905, 0.00392591/step, 2.6345 hours remaining, 110.269531 MB of memory in use. ENERGY: 84200 673.7388 1899.5867 1970.4724 103.4387 1.9726 -1106.2396 0.0000 0.0000 2746.6920 6289.6616 303.3798 3542.9696 6323.3838 302.4858 LDB: ============= START OF LOAD BALANCING ============== 341.606 LDB: ============== END OF LOAD BALANCING =============== 341.606 LDB: =============== DONE WITH MIGRATION ================ 341.606 LDB: ============= START OF LOAD BALANCING ============== 342 LDB: ============== END OF LOAD BALANCING =============== 342 LDB: =============== DONE WITH MIGRATION ================ 342 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: 339.691, 0.00392881/step Wall: 339.691, 0.00392881/step, 2.63623 hours remaining, 110.269531 MB of memory in use. ENERGY: 84400 661.1112 1893.0217 1959.2287 114.3333 1.4555 -1149.3119 0.0000 0.0000 2755.2541 6235.0926 304.3255 3479.8385 6272.3138 302.0064 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: 340.476, 0.00392469/step Wall: 340.476, 0.00392469/step, 2.63325 hours remaining, 110.269531 MB of memory in use. ENERGY: 84600 641.4146 1885.4935 1952.2804 106.7116 1.0368 -1125.9833 0.0000 0.0000 2704.8068 6165.7606 298.7534 3460.9538 6198.6976 301.0432 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: 341.26, 0.00391803/step Wall: 341.26, 0.00391803/step, 2.62856 hours remaining, 110.269531 MB of memory in use. ENERGY: 84800 617.5524 1828.9098 1944.5519 105.1416 1.7916 -1069.5060 0.0000 0.0000 2677.9454 6106.3865 295.7865 3428.4411 6141.0410 297.6735 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: 342.044, 0.00392352/step Wall: 342.044, 0.00392352/step, 2.63202 hours remaining, 110.269531 MB of memory in use. ENERGY: 85000 636.7485 1858.1290 1937.9451 111.3248 2.0422 -1084.5822 0.0000 0.0000 2676.7062 6138.3135 295.6497 3461.6073 6169.0047 294.8467 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: 342.829, 0.00392384/step Wall: 342.829, 0.00392384/step, 2.63202 hours remaining, 110.269531 MB of memory in use. ENERGY: 85200 652.0983 1836.6903 1954.0447 114.1010 1.1666 -1082.6283 0.0000 0.0000 2688.6231 6164.0958 296.9659 3475.4727 6193.6302 297.3466 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: 343.614, 0.00392534/step Wall: 343.614, 0.00392534/step, 2.63281 hours remaining, 110.269531 MB of memory in use. ENERGY: 85400 637.6497 1854.3514 1949.1355 118.4761 0.5657 -1091.3933 0.0000 0.0000 2738.5458 6207.3308 302.4800 3468.7850 6239.3707 299.0971 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: 344.399, 0.00392303/step Wall: 344.399, 0.00392303/step, 2.63104 hours remaining, 110.269531 MB of memory in use. ENERGY: 85600 646.3048 1881.8481 1937.6776 111.8372 0.9109 -1090.7742 0.0000 0.0000 2694.9383 6182.7426 297.6634 3487.8043 6215.1792 299.1541 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: 345.182, 0.00391587/step Wall: 345.182, 0.00391587/step, 2.62603 hours remaining, 110.269531 MB of memory in use. ENERGY: 85800 626.9146 1893.5860 1928.3986 108.2758 0.7161 -1100.4809 0.0000 0.0000 2700.0407 6157.4510 298.2270 3457.4103 6190.9684 298.1751 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: 345.967, 0.00392318/step Wall: 345.967, 0.00392318/step, 2.63071 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 86000 646.7559 1842.5094 1952.4298 116.6414 1.2942 -1076.1324 0.0000 0.0000 2660.4267 6143.9250 293.8515 3483.4983 6177.1749 297.2413 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: 346.752, 0.00392473/step Wall: 346.752, 0.00392473/step, 2.63153 hours remaining, 110.269531 MB of memory in use. ENERGY: 86200 666.5379 1825.5099 1975.1552 106.4376 0.9724 -1049.2574 0.0000 0.0000 2644.1495 6169.5050 292.0537 3525.3555 6200.2458 296.6176 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: 347.536, 0.00392194/step Wall: 347.536, 0.00392194/step, 2.62944 hours remaining, 110.269531 MB of memory in use. ENERGY: 86400 625.4486 1824.9937 1962.4515 110.9587 1.1055 -1086.9601 0.0000 0.0000 2750.0641 6188.0620 303.7522 3437.9979 6224.0847 298.1308 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: 348.319, 0.00391753/step Wall: 348.319, 0.00391753/step, 2.62627 hours remaining, 110.269531 MB of memory in use. ENERGY: 86600 648.1954 1831.7274 1925.7738 101.7216 1.5858 -1074.6190 0.0000 0.0000 2669.1608 6103.5457 294.8162 3434.3850 6136.0948 298.9431 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: 349.104, 0.00392229/step Wall: 349.104, 0.00392229/step, 2.62924 hours remaining, 110.269531 MB of memory in use. ENERGY: 86800 662.1189 1824.2860 1923.7791 115.4958 -0.2872 -1087.7649 0.0000 0.0000 2696.1184 6133.7460 297.7938 3437.6277 6167.2548 296.1397 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: 349.888, 0.00392218/step Wall: 349.888, 0.00392218/step, 2.62895 hours remaining, 110.269531 MB of memory in use. ENERGY: 87000 638.4298 1843.5440 1920.1198 123.3136 0.6877 -1063.7949 0.0000 0.0000 2712.3633 6174.6633 299.5881 3462.3000 6207.0659 296.6530 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: 350.673, 0.00392322/step Wall: 350.673, 0.00392322/step, 2.62943 hours remaining, 110.269531 MB of memory in use. ENERGY: 87200 627.2861 1817.4614 1965.3041 94.8875 1.4432 -1121.3419 0.0000 0.0000 2728.6542 6113.6947 301.3875 3385.0405 6149.1479 295.4760 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: 351.458, 0.00392325/step Wall: 351.458, 0.00392326/step, 2.62923 hours remaining, 110.269531 MB of memory in use. ENERGY: 87400 654.6054 1818.3841 1962.6064 112.7590 0.3789 -1094.0415 0.0000 0.0000 2670.4394 6125.1316 294.9575 3454.6922 6158.7217 294.7875 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: 352.241, 0.00391667/step Wall: 352.241, 0.00391667/step, 2.6246 hours remaining, 110.269531 MB of memory in use. ENERGY: 87600 652.7587 1857.1904 1947.2256 95.8146 1.8256 -1094.8008 0.0000 0.0000 2665.4234 6125.4373 294.4034 3460.0140 6160.0115 295.2596 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: 353.025, 0.00392214/step Wall: 353.025, 0.00392214/step, 2.62805 hours remaining, 110.269531 MB of memory in use. ENERGY: 87800 660.8874 1826.0056 1954.8497 94.6387 1.2299 -1073.6792 0.0000 0.0000 2742.3928 6206.3249 302.9049 3463.9321 6240.8374 296.7447 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: 353.81, 0.0039235/step Wall: 353.81, 0.0039235/step, 2.62875 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 88000 680.4953 1831.1192 1950.6774 113.0810 0.3170 -1064.1303 0.0000 0.0000 2720.6599 6232.2194 300.5045 3511.5595 6264.5648 300.8572 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: 354.595, 0.00392332/step Wall: 354.595, 0.00392332/step, 2.62841 hours remaining, 110.269531 MB of memory in use. ENERGY: 88200 638.8885 1868.6520 1947.1795 121.0953 0.8217 -1045.4536 0.0000 0.0000 2674.3124 6205.4958 295.3853 3531.1834 6238.6676 299.9826 LDB: ============= START OF LOAD BALANCING ============== 357.296 LDB: ============== END OF LOAD BALANCING =============== 357.296 LDB: =============== DONE WITH MIGRATION ================ 357.296 LDB: ============= START OF LOAD BALANCING ============== 357.689 LDB: ============== END OF LOAD BALANCING =============== 357.689 LDB: =============== DONE WITH MIGRATION ================ 357.689 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: 355.381, 0.00393001/step Wall: 355.381, 0.00393001/step, 2.63267 hours remaining, 110.269531 MB of memory in use. ENERGY: 88400 635.3027 1840.7262 1955.0604 122.1107 1.9054 -1093.2919 0.0000 0.0000 2706.5043 6168.3177 298.9409 3461.8135 6201.4316 298.2212 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: 356.165, 0.00392122/step Wall: 356.165, 0.00392122/step, 2.62656 hours remaining, 110.269531 MB of memory in use. ENERGY: 88600 691.0656 1818.2065 1952.8293 104.8774 1.3052 -1125.0320 0.0000 0.0000 2711.6279 6154.8798 299.5069 3443.2519 6185.8840 296.8426 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: 356.95, 0.00392315/step Wall: 356.95, 0.00392315/step, 2.62764 hours remaining, 110.269531 MB of memory in use. ENERGY: 88800 687.5637 1849.9224 1953.5052 102.7975 1.3129 -1129.2929 0.0000 0.0000 2671.4536 6137.2623 295.0695 3465.8087 6169.4969 297.3433 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: 357.734, 0.00392331/step Wall: 357.734, 0.00392331/step, 2.62752 hours remaining, 110.269531 MB of memory in use. ENERGY: 89000 657.2252 1886.7494 1972.1717 112.0082 1.1405 -1121.4594 0.0000 0.0000 2653.3303 6161.1659 293.0677 3507.8356 6191.6587 296.1351 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: 358.519, 0.00392406/step Wall: 358.519, 0.00392406/step, 2.62781 hours remaining, 110.269531 MB of memory in use. ENERGY: 89200 655.1506 1835.0505 1951.6169 106.6453 0.6318 -1099.5894 0.0000 0.0000 2680.6286 6130.1342 296.0829 3449.5056 6165.2417 297.9462 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: 359.302, 0.00391627/step Wall: 359.302, 0.00391627/step, 2.62238 hours remaining, 110.269531 MB of memory in use. ENERGY: 89400 650.9612 1860.8455 1942.6714 112.7778 -0.4762 -1095.9447 0.0000 0.0000 2697.2653 6168.1002 297.9205 3470.8349 6198.4392 297.1466 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: 360.087, 0.00392233/step Wall: 360.087, 0.00392232/step, 2.62621 hours remaining, 110.269531 MB of memory in use. ENERGY: 89600 652.1517 1881.0812 1925.2705 113.9198 0.5870 -1095.4318 0.0000 0.0000 2634.1678 6111.7462 290.9512 3477.5784 6141.8995 297.7235 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: 360.872, 0.0039236/step Wall: 360.872, 0.00392361/step, 2.62686 hours remaining, 110.269531 MB of memory in use. ENERGY: 89800 656.0756 1884.3781 1914.7746 103.5719 0.7312 -1090.0525 0.0000 0.0000 2634.2440 6103.7229 290.9596 3469.4789 6133.3329 294.8373 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: 361.656, 0.00392421/step Wall: 361.656, 0.00392421/step, 2.62704 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 90000 640.1342 1809.0735 1932.7566 107.4814 0.6471 -1061.4894 0.0000 0.0000 2679.9506 6108.5541 296.0080 3428.6035 6142.5602 294.3601 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 90000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 90000 WRITING COORDINATES TO RESTART FILE AT STEP 90000 FINISHED WRITING RESTART COORDINATES The last position output (seq=90000) takes 0.009 seconds, 110.270 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: 363.537, 0.00940388/step Wall: 363.537, 0.00940388/step, 6.29485 hours remaining, 110.269531 MB of memory in use. ENERGY: 90200 674.9617 1832.4710 1943.1782 88.0678 1.0164 -1101.7937 0.0000 0.0000 2676.2973 6114.1985 295.6045 3437.9013 6149.7379 294.2332 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: 364.323, 0.0039301/step Wall: 364.323, 0.0039301/step, 2.63055 hours remaining, 110.269531 MB of memory in use. ENERGY: 90400 648.9179 1820.7156 1971.9025 110.7229 1.5798 -1064.0148 0.0000 0.0000 2652.7365 6142.5604 293.0021 3489.8239 6175.9262 296.3341 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: 365.109, 0.0039273/step Wall: 365.109, 0.0039273/step, 2.62845 hours remaining, 110.269531 MB of memory in use. ENERGY: 90600 657.1794 1817.9320 1943.4132 115.9650 0.6743 -1079.3701 0.0000 0.0000 2679.0118 6134.8056 295.9043 3455.7938 6166.8742 296.3962 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: 365.894, 0.00392696/step Wall: 365.894, 0.00392696/step, 2.62801 hours remaining, 110.269531 MB of memory in use. ENERGY: 90800 693.7206 1841.2548 1932.4236 118.9355 0.6849 -1099.7284 0.0000 0.0000 2654.4096 6141.7006 293.1869 3487.2909 6171.4301 297.4636 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: 366.679, 0.00392463/step Wall: 366.679, 0.00392462/step, 2.62623 hours remaining, 110.269531 MB of memory in use. ENERGY: 91000 667.7015 1808.8374 1976.9236 99.9716 -0.7738 -1063.6768 0.0000 0.0000 2686.6321 6175.6156 296.7460 3488.9835 6205.7689 296.0980 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: 367.464, 0.00392426/step Wall: 367.464, 0.00392426/step, 2.62577 hours remaining, 110.269531 MB of memory in use. ENERGY: 91200 655.6428 1873.9958 1968.2814 111.2462 -0.3486 -1047.1841 0.0000 0.0000 2677.3358 6238.9693 295.7192 3561.6335 6269.6588 299.3653 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: 368.248, 0.00391917/step Wall: 368.248, 0.00391917/step, 2.62215 hours remaining, 110.269531 MB of memory in use. ENERGY: 91400 686.2381 1886.5891 1956.5271 118.5418 1.8200 -1063.4173 0.0000 0.0000 2721.6455 6307.9444 300.6133 3586.2988 6339.2691 302.5643 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: 369.033, 0.00392542/step Wall: 369.033, 0.00392542/step, 2.62611 hours remaining, 110.269531 MB of memory in use. ENERGY: 91600 675.2452 1858.2293 1930.1613 106.5970 0.0633 -1073.6866 0.0000 0.0000 2750.5319 6247.1414 303.8039 3496.6095 6284.2375 302.8089 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: 369.818, 0.00392524/step Wall: 369.818, 0.00392524/step, 2.62576 hours remaining, 110.269531 MB of memory in use. ENERGY: 91800 630.2255 1828.9465 1943.4411 111.8881 1.4669 -1059.2816 0.0000 0.0000 2753.2662 6209.9527 304.1059 3456.6864 6246.5104 300.6662 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: 370.603, 0.00392432/step Wall: 370.603, 0.00392432/step, 2.62494 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 92000 698.6367 1878.6016 1946.9864 102.9286 0.7987 -1080.8317 0.0000 0.0000 2683.6639 6230.7843 296.4182 3547.1203 6264.6109 299.4871 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: 371.386, 0.00391874/step Wall: 371.386, 0.00391874/step, 2.62098 hours remaining, 110.269531 MB of memory in use. ENERGY: 92200 699.2935 1864.1178 1966.3102 112.5597 0.9518 -1072.6406 0.0000 0.0000 2659.0973 6229.6897 293.7047 3570.5925 6263.5160 300.9363 LDB: ============= START OF LOAD BALANCING ============== 374.088 LDB: ============== END OF LOAD BALANCING =============== 374.088 LDB: =============== DONE WITH MIGRATION ================ 374.088 LDB: ============= START OF LOAD BALANCING ============== 374.481 LDB: ============== END OF LOAD BALANCING =============== 374.481 LDB: =============== DONE WITH MIGRATION ================ 374.481 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: 372.172, 0.00392807/step Wall: 372.172, 0.00392807/step, 2.62701 hours remaining, 110.269531 MB of memory in use. ENERGY: 92400 641.3119 1821.3001 1979.8325 104.8488 0.4285 -1083.3330 0.0000 0.0000 2732.4451 6196.8337 301.8062 3464.3887 6231.9878 300.7111 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: 372.957, 0.00392514/step Wall: 372.957, 0.00392514/step, 2.62483 hours remaining, 110.269531 MB of memory in use. ENERGY: 92600 670.5711 1858.1463 1965.6757 110.1244 0.9457 -1090.0496 0.0000 0.0000 2697.0413 6212.4548 297.8957 3515.4135 6244.6176 299.4171 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: 373.742, 0.00392502/step Wall: 373.742, 0.00392501/step, 2.62453 hours remaining, 110.269531 MB of memory in use. ENERGY: 92800 667.7513 1901.2045 1957.2965 103.9879 0.2042 -1081.8562 0.0000 0.0000 2682.3521 6230.9403 296.2733 3548.5882 6261.9382 299.9785 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: 374.527, 0.0039257/step Wall: 374.527, 0.0039257/step, 2.62477 hours remaining, 110.269531 MB of memory in use. ENERGY: 93000 683.7026 1795.6765 1980.1957 116.4155 1.3847 -1093.6362 0.0000 0.0000 2765.4392 6249.1780 305.4505 3483.7388 6284.2071 301.5208 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: 375.311, 0.00391981/step Wall: 375.311, 0.00391981/step, 2.62061 hours remaining, 110.269531 MB of memory in use. ENERGY: 93200 664.1423 1838.2473 1944.5613 115.4242 0.9629 -1061.1141 0.0000 0.0000 2766.4344 6268.6583 305.5604 3502.2239 6303.1550 302.6963 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: 376.096, 0.00392563/step Wall: 376.096, 0.00392563/step, 2.62428 hours remaining, 110.269531 MB of memory in use. ENERGY: 93400 666.2132 1855.5379 1982.7464 115.7636 -0.0525 -1108.2113 0.0000 0.0000 2729.0389 6241.0361 301.4299 3511.9972 6275.0998 302.9837 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: 376.882, 0.00392651/step Wall: 376.882, 0.00392651/step, 2.62466 hours remaining, 110.269531 MB of memory in use. ENERGY: 93600 694.5621 1890.0555 1981.1762 105.8290 2.3866 -1122.6326 0.0000 0.0000 2690.9415 6242.3183 297.2220 3551.3768 6275.8170 301.2212 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: 377.667, 0.00392675/step Wall: 377.667, 0.00392675/step, 2.62459 hours remaining, 110.269531 MB of memory in use. ENERGY: 93800 689.3389 1875.2423 1953.4942 117.2368 0.0634 -1074.7748 0.0000 0.0000 2708.2746 6268.8753 299.1365 3560.6007 6300.2166 302.6305 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: 378.452, 0.00392767/step Wall: 378.452, 0.00392767/step, 2.625 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 94000 668.2706 1913.2340 1960.1586 105.9845 -0.0876 -1073.9897 0.0000 0.0000 2709.3939 6282.9641 299.2601 3573.5702 6316.0236 301.9402 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: 379.236, 0.00392042/step Wall: 379.236, 0.00392042/step, 2.61993 hours remaining, 110.269531 MB of memory in use. ENERGY: 94200 668.6412 1854.4773 1968.0963 105.6487 0.2740 -1092.9892 0.0000 0.0000 2784.7852 6288.9334 307.5873 3504.1483 6324.1426 301.5984 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: 380.022, 0.00392523/step Wall: 380.022, 0.00392523/step, 2.62293 hours remaining, 110.269531 MB of memory in use. ENERGY: 94400 673.0231 1803.3392 1979.1200 109.7500 0.8750 -1067.1746 0.0000 0.0000 2744.1858 6243.1185 303.1030 3498.9327 6277.9714 304.1187 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: 380.807, 0.00392522/step Wall: 380.807, 0.00392522/step, 2.6227 hours remaining, 110.269531 MB of memory in use. ENERGY: 94600 686.8718 1830.9100 1931.7803 104.9113 0.4844 -1089.5966 0.0000 0.0000 2779.3577 6244.7190 306.9878 3465.3613 6281.4295 303.2192 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: 381.591, 0.00392367/step Wall: 381.591, 0.00392367/step, 2.62145 hours remaining, 110.269531 MB of memory in use. ENERGY: 94800 632.3392 1887.8999 1939.1379 102.5587 0.2170 -1071.0989 0.0000 0.0000 2712.3314 6203.3851 299.5846 3491.0537 6235.2834 300.9801 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: 382.375, 0.00391846/step Wall: 382.375, 0.00391846/step, 2.61775 hours remaining, 110.269531 MB of memory in use. ENERGY: 95000 662.5172 1897.0928 1949.9452 106.3415 0.5112 -1093.2300 0.0000 0.0000 2694.4427 6217.6206 297.6087 3523.1779 6251.0596 299.8617 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: 383.46, 0.00542626/step Wall: 383.46, 0.00542626/step, 3.62474 hours remaining, 110.269531 MB of memory in use. ENERGY: 95200 670.7109 1902.0076 1951.5632 121.7214 1.2288 -1130.0688 0.0000 0.0000 2694.2025 6211.3655 297.5822 3517.1630 6246.6394 300.8127 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: 384.249, 0.00394544/step Wall: 384.249, 0.00394544/step, 2.63534 hours remaining, 110.269531 MB of memory in use. ENERGY: 95400 652.0635 1871.9765 1947.8657 100.2865 1.4135 -1112.1216 0.0000 0.0000 2682.9416 6144.4258 296.3384 3461.4842 6177.1522 298.5613 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: 385.034, 0.00392539/step Wall: 385.034, 0.00392539/step, 2.62172 hours remaining, 110.269531 MB of memory in use. ENERGY: 95600 641.2527 1840.4467 1909.2329 113.5917 0.9880 -1083.7588 0.0000 0.0000 2722.3979 6144.1511 300.6964 3421.7532 6177.5824 297.5379 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: 385.82, 0.00392709/step Wall: 385.82, 0.00392709/step, 2.62264 hours remaining, 110.269531 MB of memory in use. ENERGY: 95800 672.4804 1842.4910 1957.9264 113.9060 0.7387 -1098.3627 0.0000 0.0000 2697.3604 6186.5402 297.9310 3489.1797 6222.3148 299.2662 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: 386.605, 0.00392576/step Wall: 386.605, 0.00392576/step, 2.62154 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 96000 667.1135 1858.7171 1955.4130 113.7136 0.8220 -1088.7599 0.0000 0.0000 2737.2930 6244.3123 302.3416 3507.0193 6279.0806 300.5408 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: 387.389, 0.00391945/step Wall: 387.389, 0.00391945/step, 2.6171 hours remaining, 110.269531 MB of memory in use. ENERGY: 96200 629.6734 1886.5354 1962.7561 107.2358 0.2899 -1090.0611 0.0000 0.0000 2731.9979 6228.4274 301.7568 3496.4295 6259.6397 300.0293 LDB: ============= START OF LOAD BALANCING ============== 390.091 LDB: ============== END OF LOAD BALANCING =============== 390.091 LDB: =============== DONE WITH MIGRATION ================ 390.091 LDB: ============= START OF LOAD BALANCING ============== 390.484 LDB: ============== END OF LOAD BALANCING =============== 390.484 LDB: =============== DONE WITH MIGRATION ================ 390.484 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: 388.175, 0.00392939/step Wall: 388.175, 0.00392939/step, 2.62352 hours remaining, 110.269531 MB of memory in use. ENERGY: 96400 661.0141 1904.9983 1961.7921 104.4556 1.0333 -1064.3309 0.0000 0.0000 2670.9523 6239.9148 295.0141 3568.9625 6271.3582 300.2259 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: 388.96, 0.00392674/step Wall: 388.96, 0.00392674/step, 2.62154 hours remaining, 110.269531 MB of memory in use. ENERGY: 96600 689.3508 1873.4482 1939.5508 107.1308 2.6059 -1058.1568 0.0000 0.0000 2694.4650 6248.3948 297.6112 3553.9298 6279.5093 302.0979 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: 389.745, 0.00392544/step Wall: 389.745, 0.00392544/step, 2.62045 hours remaining, 110.269531 MB of memory in use. ENERGY: 96800 680.8239 1891.8340 1933.8372 118.0645 2.0396 -1082.3995 0.0000 0.0000 2693.8792 6238.0789 297.5465 3544.1997 6270.0671 301.8974 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: 390.531, 0.00392666/step Wall: 390.531, 0.00392666/step, 2.62105 hours remaining, 110.269531 MB of memory in use. ENERGY: 97000 659.6560 1854.1290 1946.1781 102.2223 1.2617 -1062.8762 0.0000 0.0000 2731.4413 6232.0122 301.6953 3500.5709 6267.3687 300.9657 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: 391.314, 0.00391945/step Wall: 391.314, 0.00391945/step, 2.61601 hours remaining, 110.269531 MB of memory in use. ENERGY: 97200 687.3819 1840.8075 1965.0644 112.5569 0.0940 -1116.5210 0.0000 0.0000 2729.2378 6218.6216 301.4519 3489.3838 6250.2293 301.3167 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: 392.099, 0.00392498/step Wall: 392.099, 0.00392498/step, 2.61948 hours remaining, 110.269531 MB of memory in use. ENERGY: 97400 655.6046 1911.6370 1968.6106 107.8284 1.6520 -1073.6715 0.0000 0.0000 2694.2795 6265.9405 297.5907 3571.6611 6294.9757 303.3533 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: 392.884, 0.00392494/step Wall: 392.884, 0.00392494/step, 2.61925 hours remaining, 110.269531 MB of memory in use. ENERGY: 97600 622.3732 1874.7750 1976.8145 108.7991 1.1553 -1092.1117 0.0000 0.0000 2738.0674 6229.8728 302.4272 3491.8054 6264.2287 302.4700 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: 393.67, 0.00392751/step Wall: 393.67, 0.00392751/step, 2.62074 hours remaining, 110.269531 MB of memory in use. ENERGY: 97800 628.0631 1914.9893 1931.4506 110.7860 2.1337 -1101.9589 0.0000 0.0000 2737.7894 6223.2531 302.3965 3485.4637 6258.7538 301.9045 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: 394.455, 0.00392457/step Wall: 394.455, 0.00392457/step, 2.61856 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 98000 669.3056 1854.6652 1958.6565 107.0633 2.1713 -1061.2103 0.0000 0.0000 2724.5482 6255.1998 300.9339 3530.6516 6290.7054 301.2677 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: 395.239, 0.00391865/step Wall: 395.239, 0.00391865/step, 2.61439 hours remaining, 110.269531 MB of memory in use. ENERGY: 98200 682.4779 1903.7336 1966.0377 114.5880 1.5144 -1147.0836 0.0000 0.0000 2712.9957 6234.2636 299.6579 3521.2679 6264.3696 302.5142 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: 396.026, 0.00393957/step Wall: 396.026, 0.00393957/step, 2.62813 hours remaining, 110.269531 MB of memory in use. ENERGY: 98400 665.0872 1913.6883 1937.8899 95.8614 2.7506 -1127.5286 0.0000 0.0000 2717.9231 6205.6719 300.2022 3487.7488 6239.5552 300.0544 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: 396.812, 0.00392867/step Wall: 396.812, 0.00392867/step, 2.62064 hours remaining, 110.269531 MB of memory in use. ENERGY: 98600 659.1856 1877.8977 1938.8406 118.4344 3.2510 -1103.3909 0.0000 0.0000 2721.0577 6215.2760 300.5484 3494.2183 6248.4227 300.1213 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: 397.597, 0.00392642/step Wall: 397.597, 0.00392642/step, 2.61892 hours remaining, 110.269531 MB of memory in use. ENERGY: 98800 677.0760 1840.2600 1945.8816 107.5040 3.4905 -1092.0833 0.0000 0.0000 2699.3155 6181.4443 298.1469 3482.1288 6214.9257 299.5689 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: 398.382, 0.00392038/step Wall: 398.382, 0.00392038/step, 2.61468 hours remaining, 110.269531 MB of memory in use. ENERGY: 99000 658.7067 1800.1295 1927.3622 108.5519 1.6286 -1093.0185 0.0000 0.0000 2698.1211 6101.4815 298.0150 3403.3604 6135.6190 296.2288 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: 399.167, 0.00392555/step Wall: 399.167, 0.00392555/step, 2.6179 hours remaining, 110.269531 MB of memory in use. ENERGY: 99200 665.0139 1857.9076 1923.4347 110.6744 1.4552 -1088.0015 0.0000 0.0000 2656.7608 6127.2451 293.4466 3470.4843 6156.9751 295.1800 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: 399.952, 0.00392673/step Wall: 399.952, 0.00392673/step, 2.61848 hours remaining, 110.269531 MB of memory in use. ENERGY: 99400 639.6973 1857.4192 1957.9867 102.9829 0.4680 -1065.6860 0.0000 0.0000 2682.3299 6175.1979 296.2708 3492.8680 6206.2925 296.6816 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: 400.738, 0.00392777/step Wall: 400.738, 0.00392777/step, 2.61895 hours remaining, 110.269531 MB of memory in use. ENERGY: 99600 653.9401 1832.5170 1926.8638 98.8752 1.4274 -1067.6927 0.0000 0.0000 2717.0770 6163.0079 300.1087 3445.9309 6198.6269 297.0079 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: 401.523, 0.0039266/step Wall: 401.523, 0.0039266/step, 2.61795 hours remaining, 110.269531 MB of memory in use. ENERGY: 99800 640.3497 1869.5729 1935.9969 101.5545 0.6179 -1101.4224 0.0000 0.0000 2719.9691 6166.6387 300.4282 3446.6695 6202.4963 297.2077 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: 402.307, 0.00391952/step Wall: 402.307, 0.00391952/step, 2.61301 hours remaining, 110.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 100000 652.4994 1846.7300 1972.4522 102.8492 1.5607 -1083.6594 0.0000 0.0000 2710.0172 6202.4493 299.3289 3492.4321 6234.0585 298.8161 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 100000 WRITING COORDINATES TO DCD FILE MD.1.dcd AT STEP 100000 WRITING COORDINATES TO RESTART FILE AT STEP 100000 FINISHED WRITING RESTART COORDINATES The last position output (seq=100000) takes 0.009 seconds, 110.270 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: 403.142, 0.00417377/step Wall: 403.142, 0.00417377/step, 2.78228 hours remaining, 110.269531 MB of memory in use. ENERGY: 100200 646.7772 1835.0501 1970.3437 103.8546 -0.2337 -1064.7932 0.0000 0.0000 2738.3896 6229.3883 302.4628 3490.9987 6264.5328 298.6909 LDB: ============= START OF LOAD BALANCING ============== 405.844 LDB: ============== END OF LOAD BALANCING =============== 405.844 LDB: =============== DONE WITH MIGRATION ================ 405.844 LDB: ============= START OF LOAD BALANCING ============== 406.237 LDB: ============== END OF LOAD BALANCING =============== 406.237 LDB: =============== DONE WITH MIGRATION ================ 406.237 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: 403.928, 0.003932/step Wall: 403.928, 0.003932/step, 2.6209 hours remaining, 110.269531 MB of memory in use. ENERGY: 100400 618.2562 1857.5049 1975.9189 102.8808 0.7834 -1060.2764 0.0000 0.0000 2743.4275 6238.4953 303.0192 3495.0678 6272.7458 300.9223 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: 404.713, 0.00392628/step Wall: 404.713, 0.00392628/step, 2.61687 hours remaining, 110.269531 MB of memory in use. ENERGY: 100600 661.6908 1866.1149 1944.9712 116.3248 0.9787 -1056.1399 0.0000 0.0000 2768.7533 6302.6939 305.8165 3533.9406 6338.3200 301.8416 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: 405.498, 0.00392481/step Wall: 405.498, 0.00392481/step, 2.61567 hours remaining, 110.269531 MB of memory in use. ENERGY: 100800 667.2818 1870.5312 1980.6172 106.0102 1.2550 -1062.0175 0.0000 0.0000 2740.3208 6303.9987 302.6761 3563.6779 6337.4257 304.0976 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: 406.282, 0.0039182/step Wall: 406.282, 0.0039182/step, 2.61104 hours remaining, 110.269531 MB of memory in use. ENERGY: 101000 667.9208 1890.9551 1948.2892 114.2565 0.8856 -1029.5650 0.0000 0.0000 2692.7107 6285.4529 297.4174 3592.7421 6319.9471 304.3010 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: 407.067, 0.0039271/step Wall: 407.067, 0.0039271/step, 2.61676 hours remaining, 110.285156 MB of memory in use. ENERGY: 101200 661.5855 1891.8007 1936.0700 98.1178 0.4182 -1090.1426 0.0000 0.0000 2689.3333 6187.1830 297.0444 3497.8497 6218.1062 299.2097 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: 407.852, 0.00392395/step Wall: 407.852, 0.00392395/step, 2.61444 hours remaining, 110.285156 MB of memory in use. ENERGY: 101400 660.6369 1848.5274 1947.5436 108.0646 0.8811 -1068.3005 0.0000 0.0000 2704.4426 6201.7956 298.7132 3497.3530 6236.4599 298.3375 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: 408.638, 0.0039276/step Wall: 408.638, 0.0039276/step, 2.61665 hours remaining, 110.285156 MB of memory in use. ENERGY: 101600 661.1979 1839.8471 1932.0454 109.8253 -0.6498 -1070.4627 0.0000 0.0000 2807.9862 6279.7895 310.1499 3471.8032 6314.3354 302.8673 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: 409.421, 0.00391936/step Wall: 409.421, 0.00391936/step, 2.61095 hours remaining, 110.285156 MB of memory in use. ENERGY: 101800 676.1398 1853.1427 1948.6392 100.8438 1.0072 -1054.5988 0.0000 0.0000 2716.7785 6241.9523 300.0757 3525.1739 6274.4103 304.5230 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: 410.207, 0.00392583/step Wall: 410.207, 0.00392583/step, 2.61504 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: 102000 667.2680 1880.1520 1909.8545 102.4408 1.2492 -1096.4055 0.0000 0.0000 2740.2565 6204.8155 302.6690 3464.5590 6236.7955 300.6187 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: 410.992, 0.00392655/step Wall: 410.992, 0.00392655/step, 2.6153 hours remaining, 110.285156 MB of memory in use. ENERGY: 102200 654.6654 1816.4358 1946.6300 98.9725 0.5195 -1085.5484 0.0000 0.0000 2764.8535 6196.5283 305.3858 3431.6748 6232.8243 301.4195 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: 411.777, 0.00392498/step Wall: 411.777, 0.00392498/step, 2.61404 hours remaining, 110.285156 MB of memory in use. ENERGY: 102400 640.7556 1786.8584 1952.4125 98.9438 2.0849 -1081.7289 0.0000 0.0000 2771.1877 6170.5140 306.0854 3399.3263 6202.8543 299.7764 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: 412.562, 0.00392417/step Wall: 412.562, 0.00392417/step, 2.61328 hours remaining, 110.285156 MB of memory in use. ENERGY: 102600 653.0726 1855.3446 1968.9554 115.8226 3.1370 -1090.5882 0.0000 0.0000 2638.6030 6144.3470 291.4411 3505.7440 6176.8668 294.8406 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: 413.345, 0.00391864/step Wall: 413.345, 0.00391864/step, 2.60938 hours remaining, 110.285156 MB of memory in use. ENERGY: 102800 627.5875 1834.7268 1928.2636 107.8412 2.2195 -1095.0720 0.0000 0.0000 2742.1725 6147.7392 302.8806 3405.5666 6182.3857 295.4838 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: 414.13, 0.00392136/step Wall: 414.13, 0.00392136/step, 2.61097 hours remaining, 110.285156 MB of memory in use. ENERGY: 103000 630.9122 1828.4112 1955.4596 115.2967 1.3398 -1084.7588 0.0000 0.0000 2707.6675 6154.3281 299.0694 3446.6606 6185.9159 299.1562 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: 414.914, 0.0039228/step Wall: 414.914, 0.0039228/step, 2.61172 hours remaining, 110.285156 MB of memory in use. ENERGY: 103200 646.5087 1891.8545 1948.8784 108.3053 0.6504 -1081.8598 0.0000 0.0000 2697.5917 6211.9292 297.9565 3514.3375 6244.4301 297.6943 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: 415.699, 0.0039256/step Wall: 415.699, 0.0039256/step, 2.61336 hours remaining, 110.285156 MB of memory in use. ENERGY: 103400 679.6991 1845.9573 1963.4944 117.6907 0.9508 -1079.3448 0.0000 0.0000 2687.0385 6215.4860 296.7909 3528.4475 6248.2796 300.2585 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: 416.483, 0.00391731/step Wall: 416.483, 0.00391731/step, 2.60762 hours remaining, 110.285156 MB of memory in use. ENERGY: 103600 650.1181 1820.6766 1944.8650 113.7099 0.1343 -1115.4005 0.0000 0.0000 2813.2468 6227.3502 310.7309 3414.1034 6261.9363 300.0201 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: 417.267, 0.00392134/step Wall: 417.267, 0.00392134/step, 2.61009 hours remaining, 110.285156 MB of memory in use. ENERGY: 103800 618.8796 1836.8411 1969.3575 101.6115 0.8027 -1050.4923 0.0000 0.0000 2724.1185 6201.1187 300.8865 3477.0002 6234.4781 301.4738 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: 418.053, 0.0039316/step Wall: 418.053, 0.0039316/step, 2.61669 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: 104000 671.8026 1836.8791 1960.0083 106.8815 0.8236 -1094.2789 0.0000 0.0000 2741.3337 6223.4500 302.7879 3482.1162 6255.4030 299.5354 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: 418.838, 0.00392478/step Wall: 418.838, 0.00392478/step, 2.61194 hours remaining, 110.285156 MB of memory in use. ENERGY: 104200 669.0207 1854.4207 1953.1142 117.5332 0.5717 -1070.3407 0.0000 0.0000 2675.0434 6199.3632 295.4660 3524.3198 6232.6810 300.8768 LDB: ============= START OF LOAD BALANCING ============== 421.539 LDB: ============== END OF LOAD BALANCING =============== 421.539 LDB: =============== DONE WITH MIGRATION ================ 421.539 LDB: ============= START OF LOAD BALANCING ============== 421.933 LDB: ============== END OF LOAD BALANCING =============== 421.933 LDB: =============== DONE WITH MIGRATION ================ 421.933 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: 419.624, 0.00392722/step Wall: 419.624, 0.00392723/step, 2.61335 hours remaining, 110.285156 MB of memory in use. ENERGY: 104400 644.3508 1818.7474 1963.2119 100.1921 1.2972 -1078.9868 0.0000 0.0000 2692.7280 6141.5405 297.4193 3448.8126 6175.6383 297.7687 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: 420.407, 0.0039154/step Wall: 420.407, 0.0039154/step, 2.60526 hours remaining, 110.285156 MB of memory in use. ENERGY: 104600 645.8553 1832.8604 1983.1166 106.5740 -0.3087 -1110.9849 0.0000 0.0000 2705.7776 6162.8902 298.8607 3457.1127 6195.3878 298.6385 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: 421.191, 0.00392187/step Wall: 421.191, 0.00392187/step, 2.60935 hours remaining, 110.285156 MB of memory in use. ENERGY: 104800 653.7397 1807.3743 1944.9679 105.3028 -0.9346 -1076.7161 0.0000 0.0000 2703.5291 6137.2631 298.6123 3433.7341 6170.1262 298.2675 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: 421.976, 0.00392176/step Wall: 421.976, 0.00392176/step, 2.60906 hours remaining, 110.285156 MB of memory in use. ENERGY: 105000 647.7693 1821.3222 1945.7162 107.6617 -1.3819 -1078.7242 0.0000 0.0000 2691.4508 6133.8140 297.2782 3442.3632 6168.4670 298.1158 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: 422.76, 0.00392112/step Wall: 422.76, 0.00392112/step, 2.60841 hours remaining, 110.285156 MB of memory in use. ENERGY: 105200 645.0245 1813.3510 1933.7751 105.7545 -0.9537 -1060.5988 0.0000 0.0000 2722.4999 6158.8525 300.7077 3436.3526 6192.8948 296.4757 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: 423.545, 0.0039233/step Wall: 423.545, 0.0039233/step, 2.60965 hours remaining, 110.285156 MB of memory in use. ENERGY: 105400 630.8351 1874.3983 1993.4105 105.4933 0.0121 -1083.2360 0.0000 0.0000 2685.8825 6206.7958 296.6632 3520.9133 6239.9026 296.3103 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: 424.329, 0.00392259/step Wall: 424.329, 0.00392259/step, 2.60896 hours remaining, 110.285156 MB of memory in use. ENERGY: 105600 645.6781 1881.9089 1932.2121 114.1740 1.1899 -1117.7540 0.0000 0.0000 2711.3156 6168.7246 299.4724 3457.4090 6203.7971 299.4258 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: 425.115, 0.00392872/step Wall: 425.115, 0.00392872/step, 2.61282 hours remaining, 110.285156 MB of memory in use. ENERGY: 105800 641.1695 1821.8509 1955.3838 106.1941 0.2454 -1069.7244 0.0000 0.0000 2671.2890 6126.4084 295.0513 3455.1194 6159.6773 296.3731 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: 425.9, 0.00392824/step Wall: 425.9, 0.00392824/step, 2.61228 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: 106000 644.3974 1852.8638 1956.1343 101.7555 -1.2865 -1108.0142 0.0000 0.0000 2679.2685 6125.1188 295.9327 3445.8502 6158.8503 297.5705 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: 426.685, 0.00392306/step Wall: 426.685, 0.00392306/step, 2.60862 hours remaining, 110.285156 MB of memory in use. ENERGY: 106200 683.5750 1898.3487 1926.1366 131.1265 -0.7251 -1108.1116 0.0000 0.0000 2643.5954 6173.9454 291.9925 3530.3500 6204.3953 296.6880 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: 427.468, 0.00391681/step Wall: 427.468, 0.00391681/step, 2.60424 hours remaining, 110.285156 MB of memory in use. ENERGY: 106400 649.6329 1838.1530 1973.1976 115.7884 0.8685 -1108.1155 0.0000 0.0000 2682.5696 6152.0944 296.2973 3469.5248 6183.1619 298.3540 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: 428.253, 0.00392301/step Wall: 428.253, 0.00392301/step, 2.60815 hours remaining, 110.285156 MB of memory in use. ENERGY: 106600 614.1520 1880.3053 1965.7373 99.8631 1.0502 -1098.3754 0.0000 0.0000 2678.1946 6140.9271 295.8141 3462.7325 6170.1575 296.4569 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: 429.038, 0.00392492/step Wall: 429.038, 0.00392492/step, 2.6092 hours remaining, 110.285156 MB of memory in use. ENERGY: 106800 621.3940 1857.3368 1968.0884 115.5313 -0.3048 -1084.5193 0.0000 0.0000 2782.0992 6259.6257 307.2906 3477.5265 6294.6122 300.9740 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: 429.823, 0.00392351/step Wall: 429.823, 0.00392351/step, 2.60804 hours remaining, 110.285156 MB of memory in use. ENERGY: 107000 674.8557 1882.3813 1969.9708 116.3837 0.0444 -1126.3247 0.0000 0.0000 2695.3737 6212.6848 297.7115 3517.3111 6245.2079 301.8686 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: 430.607, 0.00392269/step Wall: 430.607, 0.00392269/step, 2.60728 hours remaining, 110.285156 MB of memory in use. ENERGY: 107200 709.3607 1891.1618 1979.6248 117.4381 0.9428 -1127.5268 0.0000 0.0000 2684.5345 6255.5358 296.5143 3571.0013 6283.3028 300.6896 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: 431.391, 0.00391663/step Wall: 431.391, 0.00391663/step, 2.60303 hours remaining, 110.285156 MB of memory in use. ENERGY: 107400 668.9299 1897.7339 1948.9463 97.5125 -0.7188 -1065.7234 0.0000 0.0000 2742.5504 6289.2308 302.9223 3546.6804 6323.7852 303.6072 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: 432.175, 0.00392228/step Wall: 432.175, 0.00392228/step, 2.60658 hours remaining, 110.285156 MB of memory in use. ENERGY: 107600 699.3173 1850.9832 1961.9887 111.6905 0.4449 -1066.9229 0.0000 0.0000 2775.2610 6332.7626 306.5353 3557.5016 6366.2432 307.0624 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: 432.96, 0.00392336/step Wall: 432.96, 0.00392336/step, 2.60707 hours remaining, 110.285156 MB of memory in use. ENERGY: 107800 665.7168 1910.1292 1956.3283 98.2869 0.8244 -1056.1642 0.0000 0.0000 2718.4658 6293.5872 300.2621 3575.1213 6327.9376 305.4467 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: 433.745, 0.00392478/step Wall: 433.745, 0.00392478/step, 2.6078 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: 108000 660.0221 1814.3016 1997.4269 109.1400 0.0135 -1051.2344 0.0000 0.0000 2685.1882 6214.8579 296.5865 3529.6697 6250.2247 300.8566 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: 434.529, 0.00392215/step Wall: 434.529, 0.00392215/step, 2.60584 hours remaining, 110.285156 MB of memory in use. ENERGY: 108200 695.1564 1870.1449 1930.0919 97.6510 0.1572 -1040.3886 0.0000 0.0000 2685.3825 6238.1952 296.6080 3552.8127 6269.1420 299.0960 LDB: ============= START OF LOAD BALANCING ============== 437.23 LDB: ============== END OF LOAD BALANCING =============== 437.23 LDB: =============== DONE WITH MIGRATION ================ 437.23 LDB: ============= START OF LOAD BALANCING ============== 437.622 LDB: ============== END OF LOAD BALANCING =============== 437.622 LDB: =============== DONE WITH MIGRATION ================ 437.622 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: 435.314, 0.00392206/step Wall: 435.314, 0.00392206/step, 2.60555 hours remaining, 110.285156 MB of memory in use. ENERGY: 108400 679.4742 1877.5896 1960.4681 107.4658 2.5159 -1103.3610 0.0000 0.0000 2729.1367 6253.2893 301.4408 3524.1526 6287.7386 302.9277 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: 436.099, 0.00392971/step Wall: 436.099, 0.00392971/step, 2.61042 hours remaining, 110.285156 MB of memory in use. ENERGY: 108600 658.8610 1878.3027 1956.9598 104.6008 0.6617 -1080.6736 0.0000 0.0000 2716.0827 6234.7951 299.9989 3518.7124 6266.9446 301.8446 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: 436.884, 0.00392223/step Wall: 436.884, 0.00392223/step, 2.60524 hours remaining, 110.285156 MB of memory in use. ENERGY: 108800 664.6552 1842.7929 1967.0154 109.4274 2.4340 -1103.3516 0.0000 0.0000 2727.1373 6210.1105 301.2199 3482.9732 6245.2761 301.9586 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: 437.668, 0.00392166/step Wall: 437.668, 0.00392166/step, 2.60464 hours remaining, 110.285156 MB of memory in use. ENERGY: 109000 688.3441 1870.6036 1962.0825 105.5979 0.4851 -1081.3901 0.0000 0.0000 2721.9255 6267.6487 300.6443 3545.7232 6301.4478 301.5770 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: 438.452, 0.0039167/step Wall: 438.452, 0.0039167/step, 2.60113 hours remaining, 110.285156 MB of memory in use. ENERGY: 109200 670.2784 1896.0471 1982.7641 108.8016 1.5010 -1124.9234 0.0000 0.0000 2692.2886 6226.7574 297.3708 3534.4688 6261.0870 301.7185 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: 439.236, 0.00392305/step Wall: 439.236, 0.00392305/step, 2.60512 hours remaining, 110.285156 MB of memory in use. ENERGY: 109400 636.3106 1882.0880 2019.8597 113.7733 0.7784 -1106.0192 0.0000 0.0000 2719.6432 6266.4340 300.3922 3546.7908 6297.7527 300.8205 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: 440.021, 0.00392514/step Wall: 440.021, 0.00392514/step, 2.6063 hours remaining, 110.285156 MB of memory in use. ENERGY: 109600 684.6980 1912.6038 1954.3823 121.5410 0.9131 -1098.7505 0.0000 0.0000 2771.6301 6347.0178 306.1343 3575.3877 6380.9695 305.4447 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: 440.806, 0.00392445/step Wall: 440.806, 0.00392445/step, 2.60562 hours remaining, 110.285156 MB of memory in use. ENERGY: 109800 639.2237 1839.7137 1946.2537 105.8164 1.2986 -1061.2754 0.0000 0.0000 2783.8805 6254.9112 307.4874 3471.0307 6293.4370 305.4361 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: 441.591, 0.00392422/step Wall: 441.591, 0.00392422/step, 2.60525 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: 110000 658.4280 1894.4798 1972.5718 109.5180 -0.2629 -1087.2881 0.0000 0.0000 2705.2896 6252.7363 298.8068 3547.4467 6283.2067 302.2769 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 110000 WRITING COORDINATES TO DCD FILE MD.1.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: 442.413, 0.00411188/step Wall: 442.413, 0.00411188/step, 2.7296 hours remaining, 110.382812 MB of memory in use. ENERGY: 110200 650.8550 1860.1828 1962.9164 109.5705 0.4394 -1096.8086 0.0000 0.0000 2729.8243 6216.9799 301.5167 3487.1555 6250.1571 302.7647 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: 443.198, 0.00392252/step Wall: 443.198, 0.00392252/step, 2.60368 hours remaining, 110.382812 MB of memory in use. ENERGY: 110400 671.3361 1883.1610 1917.6202 108.5613 0.1659 -1083.0856 0.0000 0.0000 2724.7061 6222.4651 300.9514 3497.7589 6257.4009 301.4126 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: 443.982, 0.00392152/step Wall: 443.982, 0.00392152/step, 2.6028 hours remaining, 110.382812 MB of memory in use. ENERGY: 110600 666.8301 1889.7620 1956.5680 107.8051 -0.6341 -1056.9685 0.0000 0.0000 2681.8827 6245.2452 296.2214 3563.3626 6279.2194 301.6897 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: 444.767, 0.00392491/step Wall: 444.767, 0.00392491/step, 2.60483 hours remaining, 110.382812 MB of memory in use. ENERGY: 110800 654.1131 1828.1298 1944.8089 99.6660 0.8520 -1068.9557 0.0000 0.0000 2759.1693 6217.7833 304.7579 3458.6140 6255.0613 301.5033 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: 445.551, 0.00391841/step Wall: 445.551, 0.00391841/step, 2.6003 hours remaining, 110.382812 MB of memory in use. ENERGY: 111000 664.6451 1854.8704 1944.2767 103.1079 0.2578 -1058.0961 0.0000 0.0000 2707.1880 6216.2497 299.0165 3509.0618 6249.5161 300.3924 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: 446.335, 0.00392303/step Wall: 446.335, 0.00392303/step, 2.60315 hours remaining, 110.382812 MB of memory in use. ENERGY: 111200 693.4730 1856.0962 1993.0770 100.7890 0.9119 -1065.8981 0.0000 0.0000 2678.3297 6256.7787 295.8290 3578.4491 6288.8012 302.1741 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: 447.12, 0.00392396/step Wall: 447.12, 0.00392396/step, 2.60355 hours remaining, 110.382812 MB of memory in use. ENERGY: 111400 675.7027 1884.1272 1983.2167 116.2784 -0.2926 -1094.8862 0.0000 0.0000 2702.8346 6266.9808 298.5356 3564.1462 6300.7259 303.3912 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: 447.905, 0.00392497/step Wall: 447.905, 0.00392497/step, 2.604 hours remaining, 110.382812 MB of memory in use. ENERGY: 111600 623.0832 1881.7022 1956.7409 99.0592 0.0313 -1070.8776 0.0000 0.0000 2763.5504 6253.2896 305.2418 3489.7392 6287.0256 303.6962 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: 448.691, 0.00392796/step Wall: 448.691, 0.00392796/step, 2.60577 hours remaining, 110.382812 MB of memory in use. ENERGY: 111800 605.9583 1890.5121 1936.0884 111.8961 -1.4943 -1094.6884 0.0000 0.0000 2803.8079 6252.0801 309.6884 3448.2722 6288.8863 304.0924 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: 449.474, 0.00391834/step Wall: 449.474, 0.00391834/step, 2.59917 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: 112000 666.5570 1849.4143 1972.5206 114.0871 -0.1670 -1105.7121 0.0000 0.0000 2747.1163 6243.8162 303.4266 3496.7000 6276.8386 302.2205 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: 450.259, 0.00392486/step Wall: 450.259, 0.00392486/step, 2.60328 hours remaining, 110.382812 MB of memory in use. ENERGY: 112200 672.4327 1857.7473 1929.7762 114.6883 0.4112 -1048.8201 0.0000 0.0000 2694.9927 6221.2284 297.6695 3526.2357 6255.6150 301.7774 LDB: ============= START OF LOAD BALANCING ============== 452.962 LDB: ============== END OF LOAD BALANCING =============== 452.962 LDB: =============== DONE WITH MIGRATION ================ 452.962 LDB: ============= START OF LOAD BALANCING ============== 453.354 LDB: ============== END OF LOAD BALANCING =============== 453.354 LDB: =============== DONE WITH MIGRATION ================ 453.354 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: 451.045, 0.00392856/step Wall: 451.045, 0.00392855/step, 2.6055 hours remaining, 110.382812 MB of memory in use. ENERGY: 112400 681.2939 1855.3232 1965.5864 123.9384 1.8338 -1088.9009 0.0000 0.0000 2731.4900 6270.5648 301.7007 3539.0748 6305.2237 302.3880 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: 451.83, 0.00392458/step Wall: 451.83, 0.00392458/step, 2.60265 hours remaining, 110.382812 MB of memory in use. ENERGY: 112600 700.8293 1828.9501 1922.5857 99.7512 0.7179 -1084.3009 0.0000 0.0000 2750.2652 6218.7985 303.7745 3468.5332 6251.6919 303.0978 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: 452.615, 0.00392592/step Wall: 452.615, 0.00392592/step, 2.60332 hours remaining, 110.382812 MB of memory in use. ENERGY: 112800 668.9164 1878.3427 1967.7251 113.9853 -0.4483 -1070.6019 0.0000 0.0000 2687.5220 6245.4412 296.8443 3557.9192 6275.9442 301.2804 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: 453.399, 0.00391843/step Wall: 453.399, 0.00391843/step, 2.59814 hours remaining, 110.382812 MB of memory in use. ENERGY: 113000 667.9005 1854.0872 1948.2979 95.1826 1.1336 -1058.4434 0.0000 0.0000 2713.8471 6222.0055 299.7520 3508.1584 6256.7595 300.0246 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: 454.184, 0.00392505/step Wall: 454.184, 0.00392505/step, 2.60231 hours remaining, 110.382812 MB of memory in use. ENERGY: 113200 668.3804 1859.7060 1950.9476 112.3300 0.2646 -1084.5370 0.0000 0.0000 2725.9483 6233.0400 301.0886 3507.0917 6266.3296 300.2192 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: 454.969, 0.00392415/step Wall: 454.969, 0.00392415/step, 2.6015 hours remaining, 110.382812 MB of memory in use. ENERGY: 113400 621.7562 1866.6479 1966.4375 97.3400 0.5576 -1070.9992 0.0000 0.0000 2719.2793 6201.0194 300.3520 3481.7401 6237.2605 300.5241 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: 455.754, 0.00392438/step Wall: 455.754, 0.00392438/step, 2.60143 hours remaining, 110.382812 MB of memory in use. ENERGY: 113600 687.8914 1813.7803 1929.7742 101.0346 0.4645 -1093.4176 0.0000 0.0000 2745.8414 6185.3687 303.2858 3439.5273 6222.1549 298.7706 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: 456.537, 0.00391875/step Wall: 456.537, 0.00391875/step, 2.59748 hours remaining, 110.382812 MB of memory in use. ENERGY: 113800 635.7325 1809.2230 1923.8228 105.4954 1.6539 -1078.3373 0.0000 0.0000 2749.5205 6147.1108 303.6922 3397.5903 6181.5392 297.3720 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: 457.323, 0.00392725/step Wall: 457.323, 0.00392725/step, 2.60289 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: 114000 672.6943 1824.6823 1969.5605 103.7771 0.3089 -1139.0999 0.0000 0.0000 2677.2477 6109.1708 295.7095 3431.9230 6144.2543 295.3594 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: 458.108, 0.00392703/step Wall: 458.108, 0.00392703/step, 2.60253 hours remaining, 110.382812 MB of memory in use. ENERGY: 114200 673.8688 1850.1883 1947.7782 111.7729 -0.3607 -1109.3692 0.0000 0.0000 2673.6884 6147.5665 295.3163 3473.8781 6181.6885 297.0898 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: 458.894, 0.00392655/step Wall: 458.894, 0.00392655/step, 2.60199 hours remaining, 110.382812 MB of memory in use. ENERGY: 114400 642.2193 1790.1787 1945.7769 97.0417 -0.1280 -1099.7747 0.0000 0.0000 2730.5127 6105.8266 301.5927 3375.3140 6143.4430 297.1944 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: 459.679, 0.0039266/step Wall: 459.679, 0.0039266/step, 2.60181 hours remaining, 110.382812 MB of memory in use. ENERGY: 114600 680.0519 1844.7105 1936.6021 114.3967 0.8056 -1114.3802 0.0000 0.0000 2660.9979 6123.1844 293.9146 3462.1865 6156.4630 295.6470 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: 460.463, 0.00392153/step Wall: 460.463, 0.00392153/step, 2.59823 hours remaining, 110.382812 MB of memory in use. ENERGY: 114800 640.8214 1843.6421 1940.6376 103.2989 0.0448 -1114.0096 0.0000 0.0000 2677.8399 6092.2751 295.7749 3414.4352 6126.9853 294.8795 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: 461.248, 0.00392658/step Wall: 461.248, 0.00392658/step, 2.60136 hours remaining, 110.382812 MB of memory in use. ENERGY: 115000 643.7460 1867.3184 1913.8120 103.8449 1.0796 -1092.1363 0.0000 0.0000 2714.5136 6152.1782 299.8256 3437.6646 6187.1987 297.1717 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: 462.034, 0.00392794/step Wall: 462.034, 0.00392794/step, 2.60204 hours remaining, 110.382812 MB of memory in use. ENERGY: 115200 641.1750 1856.2601 1924.4129 100.8857 0.6582 -1093.8825 0.0000 0.0000 2701.7312 6131.2408 298.4137 3429.5095 6166.1549 298.7383 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: 462.819, 0.00392651/step Wall: 462.819, 0.00392651/step, 2.60088 hours remaining, 110.382812 MB of memory in use. ENERGY: 115400 620.1716 1820.1705 1932.7993 109.5772 1.3319 -1118.5324 0.0000 0.0000 2710.2891 6075.8072 299.3590 3365.5180 6111.9193 294.8411 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: 463.605, 0.00392568/step Wall: 463.605, 0.00392568/step, 2.60011 hours remaining, 110.382812 MB of memory in use. ENERGY: 115600 648.8892 1807.6734 1943.7241 105.0451 0.6831 -1135.6325 0.0000 0.0000 2732.7063 6103.0887 301.8350 3370.3824 6137.1274 294.9960 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: 464.388, 0.00391927/step Wall: 464.388, 0.00391927/step, 2.59565 hours remaining, 110.382812 MB of memory in use. ENERGY: 115800 660.4433 1806.8222 1952.7929 101.6319 1.5639 -1101.5955 0.0000 0.0000 2748.3832 6170.0420 303.5666 3421.6588 6205.2739 297.5937 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: 465.173, 0.00392448/step Wall: 465.173, 0.00392448/step, 2.59888 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: 116000 630.4104 1794.3410 1954.2548 109.5837 0.7373 -1076.7513 0.0000 0.0000 2741.2970 6153.8729 302.7839 3412.5759 6190.6530 296.9017 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: 465.958, 0.00392277/step Wall: 465.958, 0.00392277/step, 2.59752 hours remaining, 110.382812 MB of memory in use. ENERGY: 116200 659.4242 1843.2671 1960.0087 101.9743 1.4203 -1093.4642 0.0000 0.0000 2664.2828 6136.9131 294.2775 3472.6303 6168.3361 295.3383 LDB: ============= START OF LOAD BALANCING ============== 468.659 LDB: ============== END OF LOAD BALANCING =============== 468.659 LDB: =============== DONE WITH MIGRATION ================ 468.659 LDB: ============= START OF LOAD BALANCING ============== 469.053 LDB: ============== END OF LOAD BALANCING =============== 469.053 LDB: =============== DONE WITH MIGRATION ================ 469.053 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: 466.744, 0.00392962/step Wall: 466.744, 0.00392962/step, 2.60185 hours remaining, 110.382812 MB of memory in use. ENERGY: 116400 631.0772 1794.1446 1943.4518 94.9909 1.2943 -1116.2353 0.0000 0.0000 2752.5084 6101.2319 304.0222 3348.7236 6137.5767 295.9145 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: 467.527, 0.00391734/step Wall: 467.527, 0.00391734/step, 2.59349 hours remaining, 110.382812 MB of memory in use. ENERGY: 116600 667.7238 1842.3405 1938.2458 115.5973 0.4968 -1083.5681 0.0000 0.0000 2637.6998 6118.5359 291.3413 3480.8361 6149.9757 296.1278 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: 468.312, 0.00392534/step Wall: 468.312, 0.00392534/step, 2.59858 hours remaining, 110.382812 MB of memory in use. ENERGY: 116800 664.6932 1854.2312 1955.7661 91.6504 -0.1394 -1129.2646 0.0000 0.0000 2728.8091 6165.7461 301.4046 3436.9370 6199.7242 297.6506 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: 469.097, 0.00392408/step Wall: 469.097, 0.00392408/step, 2.59753 hours remaining, 110.382812 MB of memory in use. ENERGY: 117000 660.4335 1846.6898 1945.2711 106.1109 1.3054 -1079.9924 0.0000 0.0000 2754.3144 6234.1328 304.2217 3479.8183 6265.0061 299.2848 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: 469.882, 0.00392524/step Wall: 469.882, 0.00392524/step, 2.59807 hours remaining, 110.382812 MB of memory in use. ENERGY: 117200 638.0002 1832.6810 1943.3269 110.1763 1.2751 -1084.1772 0.0000 0.0000 2771.2429 6212.5252 306.0915 3441.2822 6248.7105 300.4705 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: 470.667, 0.00392635/step Wall: 470.667, 0.00392635/step, 2.59859 hours remaining, 110.382812 MB of memory in use. ENERGY: 117400 664.1863 1850.0138 1977.0482 107.1362 -0.5184 -1067.5005 0.0000 0.0000 2674.3613 6204.7269 295.3907 3530.3656 6236.1360 297.8711 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: 471.451, 0.00391969/step Wall: 471.451, 0.00391969/step, 2.59397 hours remaining, 110.382812 MB of memory in use. ENERGY: 117600 676.4784 1826.8462 1928.9949 123.0233 0.6863 -1072.1027 0.0000 0.0000 2689.8949 6173.8214 297.1064 3483.9265 6205.4543 297.6017 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: 472.236, 0.00392489/step Wall: 472.236, 0.00392489/step, 2.59719 hours remaining, 110.382812 MB of memory in use. ENERGY: 117800 679.6118 1835.3766 1947.2877 111.3261 -0.4896 -1050.6061 0.0000 0.0000 2634.8139 6157.3204 291.0225 3522.5065 6187.4559 296.7020 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: 473.021, 0.00392456/step Wall: 473.021, 0.00392456/step, 2.59675 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: 118000 633.1621 1828.0701 1970.3411 116.1609 -0.0948 -1086.7369 0.0000 0.0000 2701.9198 6162.8223 298.4346 3460.9025 6194.3004 297.9856 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: 473.807, 0.00392632/step Wall: 473.807, 0.00392632/step, 2.5977 hours remaining, 110.382812 MB of memory in use. ENERGY: 118200 658.7969 1822.9467 1955.9564 99.5150 1.0603 -1057.7297 0.0000 0.0000 2701.6857 6182.2313 298.4087 3480.5456 6215.8141 296.8446 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: 474.59, 0.00391785/step Wall: 474.59, 0.00391784/step, 2.59187 hours remaining, 110.382812 MB of memory in use. ENERGY: 118400 674.0429 1883.2929 1942.1487 106.6730 0.1291 -1086.3363 0.0000 0.0000 2718.4106 6238.3608 300.2560 3519.9502 6273.9132 300.3357 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: 475.375, 0.00392496/step Wall: 475.375, 0.00392497/step, 2.59637 hours remaining, 110.382812 MB of memory in use. ENERGY: 118600 631.0043 1815.9331 1961.7113 116.6626 -0.1794 -1074.8254 0.0000 0.0000 2768.1937 6218.5002 305.7547 3450.3065 6253.6407 301.2752 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: 476.161, 0.00392771/step Wall: 476.161, 0.00392771/step, 2.59796 hours remaining, 110.382812 MB of memory in use. ENERGY: 118800 662.1585 1911.0546 1986.7028 107.1154 -0.5330 -1109.7364 0.0000 0.0000 2682.4915 6239.2536 296.2887 3556.7621 6271.1422 300.5811 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: 476.945, 0.00392333/step Wall: 476.945, 0.00392333/step, 2.59485 hours remaining, 110.382812 MB of memory in use. ENERGY: 119000 638.9909 1870.8057 1959.2206 103.0556 0.5066 -1093.9274 0.0000 0.0000 2712.2664 6190.9185 299.5774 3478.6521 6225.4166 300.5176 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: 477.73, 0.00392334/step Wall: 477.73, 0.00392334/step, 2.59463 hours remaining, 110.382812 MB of memory in use. ENERGY: 119200 665.4280 1833.5340 1972.9681 97.0079 0.7566 -1073.6009 0.0000 0.0000 2727.1216 6223.2154 301.2182 3496.0938 6256.8612 300.0897 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: 478.514, 0.00391876/step Wall: 478.514, 0.00391876/step, 2.59139 hours remaining, 110.382812 MB of memory in use. ENERGY: 119400 633.6299 1901.8671 1978.0022 114.2132 -0.0059 -1090.8565 0.0000 0.0000 2708.4969 6245.3470 299.1610 3536.8501 6278.3611 300.7248 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: 479.298, 0.00392187/step Wall: 479.298, 0.00392187/step, 2.59322 hours remaining, 110.382812 MB of memory in use. ENERGY: 119600 686.8784 1879.8997 1983.8577 101.5291 0.5396 -1095.1809 0.0000 0.0000 2679.6344 6237.1580 295.9731 3557.5236 6268.3737 301.3481 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: 480.083, 0.00392444/step Wall: 480.083, 0.00392445/step, 2.59472 hours remaining, 110.382812 MB of memory in use. ENERGY: 119800 640.2273 1910.2266 1943.3763 104.0270 1.1744 -1125.6711 0.0000 0.0000 2770.8191 6244.1796 306.0447 3473.3605 6279.6556 302.5196 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: 480.868, 0.00392604/step Wall: 480.868, 0.00392604/step, 2.59555 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: 120000 640.6035 1950.0802 1954.2393 106.1261 -0.2126 -1123.4296 0.0000 0.0000 2682.6257 6210.0326 296.3035 3527.4069 6242.1037 301.1970 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 120000 WRITING COORDINATES TO DCD FILE MD.1.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: 481.692, 0.00411934/step Wall: 481.692, 0.00411934/step, 2.72312 hours remaining, 110.382812 MB of memory in use. ENERGY: 120200 642.1702 1856.2640 1963.6058 95.2129 0.1464 -1096.0330 0.0000 0.0000 2718.7328 6180.0991 300.2916 3461.3663 6216.7332 300.0524 LDB: ============= START OF LOAD BALANCING ============== 484.393 LDB: ============== END OF LOAD BALANCING =============== 484.393 LDB: =============== DONE WITH MIGRATION ================ 484.393 LDB: ============= START OF LOAD BALANCING ============== 484.786 LDB: ============== END OF LOAD BALANCING =============== 484.786 LDB: =============== DONE WITH MIGRATION ================ 484.786 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: 482.477, 0.00392298/step Wall: 482.477, 0.00392298/step, 2.59309 hours remaining, 110.382812 MB of memory in use. ENERGY: 120400 672.9739 1839.0506 1961.0824 106.9661 0.8437 -1118.9040 0.0000 0.0000 2714.7370 6176.7499 299.8503 3462.0128 6209.2693 299.5191 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: 483.261, 0.00392273/step Wall: 483.261, 0.00392273/step, 2.5927 hours remaining, 110.382812 MB of memory in use. ENERGY: 120600 636.6606 1908.3001 1946.9928 101.6130 1.2841 -1099.5251 0.0000 0.0000 2656.5063 6151.8318 293.4185 3495.3255 6181.1938 296.4094 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: 484.046, 0.00392434/step Wall: 484.046, 0.00392434/step, 2.59355 hours remaining, 110.382812 MB of memory in use. ENERGY: 120800 640.2759 1835.9717 1952.3812 105.6697 1.4164 -1096.4352 0.0000 0.0000 2791.3281 6230.6079 308.3100 3439.2797 6266.0747 297.9009 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: 484.834, 0.00394038/step Wall: 484.834, 0.00394038/step, 2.60394 hours remaining, 110.382812 MB of memory in use. ENERGY: 121000 690.1040 1856.4700 1950.6456 103.7691 1.0167 -1129.0128 0.0000 0.0000 2759.5759 6232.5685 304.8028 3472.9927 6266.4691 303.1393 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: 485.619, 0.0039222/step Wall: 485.619, 0.0039222/step, 2.59171 hours remaining, 110.382812 MB of memory in use. ENERGY: 121200 668.7003 1871.8046 1944.4951 104.1405 1.4918 -1095.4076 0.0000 0.0000 2750.4970 6245.7217 303.8001 3495.2247 6275.4175 301.8794 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: 486.404, 0.00392527/step Wall: 486.404, 0.00392527/step, 2.59351 hours remaining, 110.382812 MB of memory in use. ENERGY: 121400 666.0567 1878.7477 1964.6443 112.5324 1.5954 -1106.3418 0.0000 0.0000 2755.7150 6272.9496 304.3764 3517.2347 6303.4974 304.1696 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: 487.189, 0.00392475/step Wall: 487.189, 0.00392475/step, 2.59295 hours remaining, 110.382812 MB of memory in use. ENERGY: 121600 655.3754 1875.7287 1980.8875 114.4116 0.4051 -1099.5700 0.0000 0.0000 2756.9068 6284.1450 304.5080 3527.2382 6318.2331 303.7593 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: 487.973, 0.00392455/step Wall: 487.973, 0.00392455/step, 2.5926 hours remaining, 110.382812 MB of memory in use. ENERGY: 121800 650.9232 1854.4132 1958.3460 109.2066 0.8382 -1073.3646 0.0000 0.0000 2765.4677 6265.8303 305.4536 3500.3627 6303.8315 303.9805 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: 488.758, 0.00392508/step Wall: 488.758, 0.00392508/step, 2.59273 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: 122000 658.1372 1842.6309 1946.2145 108.1475 0.6164 -1074.6274 0.0000 0.0000 2791.7587 6272.8778 308.3575 3481.1190 6310.8088 304.5824 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: 489.542, 0.00391788/step Wall: 489.542, 0.00391788/step, 2.58776 hours remaining, 110.382812 MB of memory in use. ENERGY: 122200 664.1020 1838.7711 1938.4840 116.9555 0.6779 -1122.5819 0.0000 0.0000 2791.0786 6227.4872 308.2824 3436.4086 6262.6774 302.8467 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: 490.327, 0.00392535/step Wall: 490.327, 0.00392535/step, 2.59248 hours remaining, 110.382812 MB of memory in use. ENERGY: 122400 721.0432 1835.7570 1982.6709 109.8291 0.8206 -1121.4596 0.0000 0.0000 2687.5855 6216.2467 296.8513 3528.6612 6248.9262 301.2285 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: 491.112, 0.00392403/step Wall: 491.112, 0.00392403/step, 2.59138 hours remaining, 110.382812 MB of memory in use. ENERGY: 122600 679.7987 1844.9430 1922.9642 105.5443 0.8201 -1116.2878 0.0000 0.0000 2749.2766 6187.0590 303.6653 3437.7824 6224.5715 300.6670 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: 491.897, 0.00392419/step Wall: 491.897, 0.00392419/step, 2.59128 hours remaining, 110.382812 MB of memory in use. ENERGY: 122800 617.6612 1907.3745 1942.0294 101.9230 0.6155 -1062.8228 0.0000 0.0000 2689.8632 6196.6438 297.1029 3506.7807 6230.8854 300.2249 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: 492.682, 0.00392536/step Wall: 492.682, 0.00392536/step, 2.59183 hours remaining, 110.382812 MB of memory in use. ENERGY: 123000 621.5862 1888.7551 1934.3891 97.9156 0.6260 -1083.8778 0.0000 0.0000 2751.1933 6210.5875 303.8770 3459.3942 6244.6730 301.1396 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: 493.465, 0.0039177/step Wall: 493.465, 0.0039177/step, 2.58655 hours remaining, 110.382812 MB of memory in use. ENERGY: 123200 674.8039 1845.3644 1918.9652 107.7193 -0.4948 -1087.7788 0.0000 0.0000 2720.4248 6179.0040 300.4785 3458.5792 6211.7195 300.7275 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: 494.25, 0.00392455/step Wall: 494.25, 0.00392455/step, 2.59086 hours remaining, 110.386719 MB of memory in use. ENERGY: 123400 652.1349 1899.4165 1946.8267 105.5561 -1.1435 -1117.8778 0.0000 0.0000 2700.8517 6185.7645 298.3166 3484.9128 6220.8623 298.9052 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: 495.035, 0.00392314/step Wall: 495.035, 0.00392314/step, 2.58971 hours remaining, 110.386719 MB of memory in use. ENERGY: 123600 681.7116 1874.3708 1964.9208 114.5871 -1.0047 -1102.4971 0.0000 0.0000 2696.4873 6228.5758 297.8345 3532.0885 6260.4384 299.0114 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: 495.82, 0.0039231/step Wall: 495.82, 0.0039231/step, 2.58946 hours remaining, 110.386719 MB of memory in use. ENERGY: 123800 681.4372 1862.7155 1944.6807 114.0310 0.4284 -1078.8641 0.0000 0.0000 2711.4178 6235.8466 299.4837 3524.4287 6272.1262 301.7493 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: 496.604, 0.00392039/step Wall: 496.604, 0.00392039/step, 2.58746 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 124000 666.2658 1919.5479 1950.6986 111.5590 0.1247 -1085.3241 0.0000 0.0000 2699.7049 6262.5769 298.1899 3562.8719 6296.2005 302.3976 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: 497.389, 0.00392521/step Wall: 497.389, 0.00392521/step, 2.59042 hours remaining, 110.386719 MB of memory in use. ENERGY: 124200 662.2202 1831.2234 1908.1581 93.9302 0.8416 -1061.0639 0.0000 0.0000 2782.7124 6218.0220 307.3583 3435.3096 6253.5533 302.1245 LDB: ============= START OF LOAD BALANCING ============== 500.091 LDB: ============== END OF LOAD BALANCING =============== 500.091 LDB: =============== DONE WITH MIGRATION ================ 500.091 LDB: ============= START OF LOAD BALANCING ============== 500.483 LDB: ============== END OF LOAD BALANCING =============== 500.483 LDB: =============== DONE WITH MIGRATION ================ 500.483 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: 498.174, 0.00392879/step Wall: 498.174, 0.00392878/step, 2.59256 hours remaining, 110.386719 MB of memory in use. ENERGY: 124400 649.2001 1847.7401 1930.2921 103.2452 0.4849 -1040.0278 0.0000 0.0000 2747.9189 6238.8535 303.5153 3490.9346 6275.0625 300.8508 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: 498.96, 0.00392572/step Wall: 498.96, 0.00392573/step, 2.59032 hours remaining, 110.386719 MB of memory in use. ENERGY: 124600 666.4062 1936.6995 1934.4735 101.6550 0.6019 -1096.1709 0.0000 0.0000 2687.1614 6230.8265 296.8045 3543.6651 6262.6719 301.7173 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: 499.745, 0.00392504/step Wall: 499.745, 0.00392504/step, 2.58966 hours remaining, 110.386719 MB of memory in use. ENERGY: 124800 676.2916 1808.2031 1946.9148 100.0010 -0.3059 -1076.0141 0.0000 0.0000 2789.6261 6244.7165 308.1220 3455.0904 6279.1429 301.3942 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: 500.528, 0.00391765/step Wall: 500.528, 0.00391765/step, 2.58456 hours remaining, 110.386719 MB of memory in use. ENERGY: 125000 686.2740 1876.8627 1938.9057 120.5856 -0.7394 -1087.6249 0.0000 0.0000 2742.6546 6276.9182 302.9338 3534.2636 6309.2475 303.5454 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: 501.313, 0.00392354/step Wall: 501.313, 0.00392354/step, 2.58823 hours remaining, 110.386719 MB of memory in use. ENERGY: 125200 689.8826 1892.7506 1949.2032 113.7793 0.6104 -1098.1685 0.0000 0.0000 2692.0488 6240.1064 297.3443 3548.0576 6271.2235 304.5618 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: 502.098, 0.00392349/step Wall: 502.098, 0.00392349/step, 2.58797 hours remaining, 110.386719 MB of memory in use. ENERGY: 125400 659.3775 1875.6519 1952.4539 100.8751 -1.0148 -1092.7279 0.0000 0.0000 2752.6346 6247.2503 304.0362 3494.6156 6282.0466 301.8290 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: 502.882, 0.00392398/step Wall: 502.882, 0.00392399/step, 2.58809 hours remaining, 110.386719 MB of memory in use. ENERGY: 125600 671.5619 1854.1639 1967.5098 114.1194 -0.1768 -1086.1443 0.0000 0.0000 2714.3203 6235.3544 299.8042 3521.0340 6267.0913 302.4315 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: 503.667, 0.00392362/step Wall: 503.667, 0.00392362/step, 2.58763 hours remaining, 110.386719 MB of memory in use. ENERGY: 125800 631.9685 1867.1731 1942.7015 112.4689 -0.3965 -1077.7448 0.0000 0.0000 2699.0516 6175.2223 298.1178 3476.1707 6206.4666 300.8355 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: 504.451, 0.0039187/step Wall: 504.451, 0.0039187/step, 2.58416 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 126000 653.1261 1830.1471 1924.1817 112.8720 0.8559 -1059.8889 0.0000 0.0000 2715.1002 6176.3940 299.8904 3461.2938 6208.7994 298.5384 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: 505.236, 0.00392448/step Wall: 505.236, 0.00392448/step, 2.58776 hours remaining, 110.386719 MB of memory in use. ENERGY: 126200 653.1967 1859.0309 1944.8694 102.0746 0.1651 -1094.5467 0.0000 0.0000 2681.3774 6146.1675 296.1656 3464.7901 6176.8406 297.5507 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: 506.021, 0.00392517/step Wall: 506.021, 0.00392517/step, 2.588 hours remaining, 110.386719 MB of memory in use. ENERGY: 126400 625.9697 1891.8201 1928.0101 97.4499 0.2380 -1075.2838 0.0000 0.0000 2705.1140 6173.3180 298.7874 3468.2040 6207.3664 297.0849 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: 506.806, 0.00392521/step Wall: 506.806, 0.00392521/step, 2.5878 hours remaining, 110.386719 MB of memory in use. ENERGY: 126600 635.9791 1847.0561 1944.8853 94.3448 1.3423 -1085.5520 0.0000 0.0000 2749.2123 6187.2680 303.6582 3438.0557 6220.8277 298.0355 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: 507.59, 0.00391909/step Wall: 507.59, 0.00391909/step, 2.58355 hours remaining, 110.386719 MB of memory in use. ENERGY: 126800 653.5983 1862.1330 1934.6993 98.7424 0.0904 -1090.6799 0.0000 0.0000 2703.7184 6162.3019 298.6332 3458.5835 6194.8426 299.1746 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: 508.375, 0.00392622/step Wall: 508.375, 0.00392622/step, 2.58803 hours remaining, 110.386719 MB of memory in use. ENERGY: 127000 666.7132 1839.7998 1953.9527 97.1206 -0.2670 -1108.1910 0.0000 0.0000 2717.0209 6166.1493 300.1025 3449.1284 6197.9072 298.5766 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: 509.16, 0.00392414/step Wall: 509.16, 0.00392415/step, 2.58645 hours remaining, 110.386719 MB of memory in use. ENERGY: 127200 670.7267 1868.7280 1933.6364 107.0509 0.6948 -1086.9123 0.0000 0.0000 2754.3145 6248.2389 304.2217 3493.9244 6281.7253 300.9732 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: 509.945, 0.00392504/step Wall: 509.945, 0.00392504/step, 2.58682 hours remaining, 110.386719 MB of memory in use. ENERGY: 127400 699.6457 1811.8535 1957.3897 100.2595 0.8222 -1100.2975 0.0000 0.0000 2754.1895 6223.8626 304.2079 3469.6731 6257.1141 301.9065 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: 510.73, 0.00392479/step Wall: 510.73, 0.00392479/step, 2.58644 hours remaining, 110.386719 MB of memory in use. ENERGY: 127600 635.1059 1850.5161 1940.5811 123.9191 0.2867 -1107.5020 0.0000 0.0000 2738.5617 6181.4686 302.4818 3442.9069 6217.4071 298.1420 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: 511.513, 0.00391893/step Wall: 511.513, 0.00391893/step, 2.58236 hours remaining, 110.386719 MB of memory in use. ENERGY: 127800 683.6632 1869.7958 1930.1690 107.7187 0.2412 -1087.5560 0.0000 0.0000 2725.2852 6229.3172 301.0153 3504.0320 6262.8833 299.0459 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: 512.299, 0.00392579/step Wall: 512.299, 0.00392578/step, 2.58666 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 128000 718.1135 1817.0405 1935.5764 97.2509 -1.2306 -1054.4554 0.0000 0.0000 2705.4248 6217.7201 298.8217 3512.2952 6251.0386 300.7967 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: 513.084, 0.0039269/step Wall: 513.084, 0.00392691/step, 2.58718 hours remaining, 110.386719 MB of memory in use. ENERGY: 128200 637.6359 1876.6930 1922.4217 113.4411 1.6213 -1068.1346 0.0000 0.0000 2723.7584 6207.4369 300.8467 3483.6785 6241.2490 299.9744 LDB: ============= START OF LOAD BALANCING ============== 515.785 LDB: ============== END OF LOAD BALANCING =============== 515.785 LDB: =============== DONE WITH MIGRATION ================ 515.785 LDB: ============= START OF LOAD BALANCING ============== 516.179 LDB: ============== END OF LOAD BALANCING =============== 516.179 LDB: =============== DONE WITH MIGRATION ================ 516.179 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: 513.87, 0.00393139/step Wall: 513.87, 0.00393139/step, 2.58991 hours remaining, 110.386719 MB of memory in use. ENERGY: 128400 648.1664 1883.4259 1956.1545 111.0616 0.9646 -1083.3297 0.0000 0.0000 2739.6178 6256.0610 302.5984 3516.4432 6288.6589 301.3575 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: 514.654, 0.00391937/step Wall: 514.654, 0.00391937/step, 2.58178 hours remaining, 110.386719 MB of memory in use. ENERGY: 128600 646.0943 1884.4736 1919.6661 108.9911 2.1485 -1086.0391 0.0000 0.0000 2734.7739 6210.1085 302.0634 3475.3346 6242.0043 301.5530 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: 515.439, 0.00392538/step Wall: 515.439, 0.00392538/step, 2.58552 hours remaining, 110.386719 MB of memory in use. ENERGY: 128800 643.7181 1907.6173 1941.7145 100.8517 1.1704 -1094.5894 0.0000 0.0000 2687.4917 6187.9742 296.8409 3500.4825 6219.4868 300.1053 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: 516.226, 0.00393228/step Wall: 516.226, 0.00393228/step, 2.58984 hours remaining, 110.386719 MB of memory in use. ENERGY: 129000 653.5145 1864.0855 1955.1259 109.4890 0.0459 -1099.2485 0.0000 0.0000 2686.7215 6169.7338 296.7559 3483.0123 6203.4366 297.5695 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: 517.01, 0.00392383/step Wall: 517.01, 0.00392383/step, 2.58406 hours remaining, 110.386719 MB of memory in use. ENERGY: 129200 629.9521 1912.9154 1932.2830 105.2788 0.5487 -1083.5512 0.0000 0.0000 2757.9780 6255.4048 304.6264 3497.4268 6289.4056 300.5461 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: 517.795, 0.00392329/step Wall: 517.795, 0.00392329/step, 2.58349 hours remaining, 110.386719 MB of memory in use. ENERGY: 129400 655.4100 1919.9437 1929.7168 103.7957 1.8077 -1120.3544 0.0000 0.0000 2766.8397 6257.1591 305.6052 3490.3194 6291.5625 304.1338 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: 518.579, 0.00391882/step Wall: 518.579, 0.00391882/step, 2.58032 hours remaining, 110.386719 MB of memory in use. ENERGY: 129600 663.1414 1841.7210 1920.1016 97.8632 1.3056 -1046.5174 0.0000 0.0000 2752.0094 6229.6249 303.9671 3477.6155 6263.5032 302.3196 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: 519.363, 0.00392256/step Wall: 519.363, 0.00392256/step, 2.58257 hours remaining, 110.386719 MB of memory in use. ENERGY: 129800 644.6502 1809.1738 1985.0135 105.3218 0.9125 -1090.8763 0.0000 0.0000 2734.3906 6188.5861 302.0211 3454.1955 6223.8757 299.2113 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: 520.148, 0.00392379/step Wall: 520.148, 0.00392379/step, 2.58316 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 130000 647.8814 1847.2335 1936.5260 104.4705 0.1288 -1062.9022 0.0000 0.0000 2741.8039 6215.1417 302.8399 3473.3378 6248.7200 300.6274 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 130000 WRITING COORDINATES TO DCD FILE MD.1.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: 520.985, 0.00418662/step Wall: 520.985, 0.00418662/step, 2.75596 hours remaining, 110.386719 MB of memory in use. ENERGY: 130200 695.4984 1847.8568 1959.3949 99.2702 1.5450 -1096.3003 0.0000 0.0000 2640.9742 6148.2392 291.7030 3507.2650 6181.0719 298.5629 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: 521.77, 0.00392202/step Wall: 521.77, 0.00392202/step, 2.58156 hours remaining, 110.386719 MB of memory in use. ENERGY: 130400 693.9266 1876.3853 1937.6100 109.6906 2.0661 -1121.4616 0.0000 0.0000 2691.8250 6190.0419 297.3196 3498.2169 6223.5822 298.0826 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: 522.553, 0.00391771/step Wall: 522.553, 0.00391771/step, 2.57851 hours remaining, 110.386719 MB of memory in use. ENERGY: 130600 686.4457 1847.2263 1925.8534 106.2189 0.5955 -1111.1331 0.0000 0.0000 2731.3984 6186.6051 301.6906 3455.2067 6219.8604 298.6544 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: 523.338, 0.00392474/step Wall: 523.338, 0.00392474/step, 2.58291 hours remaining, 110.386719 MB of memory in use. ENERGY: 130800 657.7599 1840.7953 1953.7090 116.1940 1.5605 -1100.4088 0.0000 0.0000 2723.9345 6193.5444 300.8662 3469.6099 6229.2146 299.2945 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: 524.123, 0.00392415/step Wall: 524.123, 0.00392415/step, 2.58231 hours remaining, 110.386719 MB of memory in use. ENERGY: 131000 672.3657 1834.2782 1916.6902 107.0184 1.8151 -1067.2014 0.0000 0.0000 2733.7878 6198.7541 301.9545 3464.9662 6228.8686 299.7795 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: 524.908, 0.00392539/step Wall: 524.908, 0.00392539/step, 2.5829 hours remaining, 110.386719 MB of memory in use. ENERGY: 131200 626.1710 1814.4174 1936.1385 104.0702 2.2104 -1074.3922 0.0000 0.0000 2713.9908 6122.6062 299.7678 3408.6154 6158.7656 297.9712 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: 525.692, 0.00391777/step Wall: 525.692, 0.00391777/step, 2.57768 hours remaining, 110.386719 MB of memory in use. ENERGY: 131400 642.6273 1832.8051 1951.2343 106.2379 1.2627 -1098.8504 0.0000 0.0000 2726.6179 6161.9349 301.1625 3435.3170 6195.9943 296.5841 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: 526.477, 0.00392532/step Wall: 526.477, 0.00392532/step, 2.58242 hours remaining, 110.386719 MB of memory in use. ENERGY: 131600 683.5556 1830.6577 1933.8582 104.9129 0.5091 -1080.6278 0.0000 0.0000 2711.1840 6184.0498 299.4578 3472.8657 6216.2583 298.8072 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: 527.262, 0.00392396/step Wall: 527.262, 0.00392396/step, 2.58131 hours remaining, 110.386719 MB of memory in use. ENERGY: 131800 646.2829 1813.4584 1944.8362 112.2997 1.9543 -1089.5179 0.0000 0.0000 2730.7672 6160.0809 301.6208 3429.3137 6195.3134 299.5556 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: 528.047, 0.00392553/step Wall: 528.047, 0.00392553/step, 2.58213 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 132000 607.2127 1833.4154 1943.5910 104.0244 0.6611 -1083.8540 0.0000 0.0000 2725.3274 6130.3780 301.0200 3405.0506 6163.7170 298.0163 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: 528.832, 0.00392541/step Wall: 528.832, 0.00392541/step, 2.58183 hours remaining, 110.386719 MB of memory in use. ENERGY: 132200 665.7279 1862.9702 1961.3098 111.1706 1.5533 -1110.1687 0.0000 0.0000 2674.4517 6167.0147 295.4006 3492.5631 6199.9949 297.7261 LDB: ============= START OF LOAD BALANCING ============== 531.533 LDB: ============== END OF LOAD BALANCING =============== 531.533 LDB: =============== DONE WITH MIGRATION ================ 531.533 LDB: ============= START OF LOAD BALANCING ============== 531.925 LDB: ============== END OF LOAD BALANCING =============== 531.925 LDB: =============== DONE WITH MIGRATION ================ 531.925 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: 529.617, 0.00392356/step Wall: 529.617, 0.00392356/step, 2.5804 hours remaining, 110.386719 MB of memory in use. ENERGY: 132400 640.1056 1845.7120 1948.8949 97.6670 -0.7732 -1066.0428 0.0000 0.0000 2706.5928 6172.1563 298.9507 3465.5635 6204.4035 298.3575 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: 530.402, 0.00392518/step Wall: 530.402, 0.00392518/step, 2.58124 hours remaining, 110.386719 MB of memory in use. ENERGY: 132600 635.4930 1857.4807 1960.6944 108.9001 1.4548 -1072.6408 0.0000 0.0000 2695.1546 6186.5367 297.6873 3491.3821 6216.7920 297.7487 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: 531.186, 0.00392363/step Wall: 531.186, 0.00392363/step, 2.58 hours remaining, 110.386719 MB of memory in use. ENERGY: 132800 617.6659 1803.4901 1932.4162 114.6248 0.2848 -1083.4661 0.0000 0.0000 2732.4053 6117.4209 301.8018 3385.0156 6152.9643 297.1968 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: 531.971, 0.0039254/step Wall: 531.971, 0.0039254/step, 2.58095 hours remaining, 110.386719 MB of memory in use. ENERGY: 133000 572.6029 1894.7320 1954.1497 113.7122 0.7434 -1122.6122 0.0000 0.0000 2689.4364 6102.7644 297.0557 3413.3280 6138.1797 295.2707 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: 532.756, 0.00392557/step Wall: 532.756, 0.00392557/step, 2.58084 hours remaining, 110.386719 MB of memory in use. ENERGY: 133200 645.9997 1852.9815 1924.5716 112.1187 0.5902 -1130.8380 0.0000 0.0000 2683.4205 6088.8442 296.3913 3405.4236 6120.9307 293.7311 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: 533.54, 0.0039192/step Wall: 533.54, 0.0039192/step, 2.57644 hours remaining, 110.386719 MB of memory in use. ENERGY: 133400 642.2988 1803.1559 1945.3944 103.1866 1.3833 -1110.2643 0.0000 0.0000 2697.7633 6082.9181 297.9755 3385.1547 6116.4168 293.2991 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: 534.325, 0.00392319/step Wall: 534.325, 0.00392319/step, 2.57885 hours remaining, 110.386719 MB of memory in use. ENERGY: 133600 629.2327 1815.6485 1947.9992 114.8041 1.0751 -1123.4768 0.0000 0.0000 2667.3443 6052.6272 294.6156 3385.2828 6083.5063 293.6683 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: 535.11, 0.00392359/step Wall: 535.11, 0.00392359/step, 2.57889 hours remaining, 110.386719 MB of memory in use. ENERGY: 133800 676.1357 1907.4975 1921.5880 109.7711 1.3183 -1097.7367 0.0000 0.0000 2592.8437 6111.4176 286.3868 3518.5738 6142.1986 294.9229 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: 535.894, 0.00392409/step Wall: 535.894, 0.00392409/step, 2.579 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 134000 657.9856 1816.8921 1947.2680 104.6142 -0.1711 -1097.2944 0.0000 0.0000 2660.5228 6089.8172 293.8621 3429.2944 6119.9393 295.4100 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: 536.678, 0.00391836/step Wall: 536.678, 0.00391836/step, 2.57502 hours remaining, 110.386719 MB of memory in use. ENERGY: 134200 634.4943 1822.2985 1947.5738 89.3750 0.3457 -1066.8615 0.0000 0.0000 2688.5437 6115.7696 296.9571 3427.2259 6149.2280 294.6122 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: 537.463, 0.00392416/step Wall: 537.463, 0.00392416/step, 2.57861 hours remaining, 110.386719 MB of memory in use. ENERGY: 134400 649.2913 1828.8340 1956.0303 108.2768 0.7139 -1085.7946 0.0000 0.0000 2653.6574 6111.0091 293.1039 3457.3517 6144.0894 295.9095 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: 538.248, 0.00392521/step Wall: 538.248, 0.00392521/step, 2.57908 hours remaining, 110.386719 MB of memory in use. ENERGY: 134600 625.9464 1866.0832 1966.3094 98.7589 0.7792 -1093.6420 0.0000 0.0000 2667.8595 6132.0946 294.6725 3464.2352 6161.7026 294.0285 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: 539.033, 0.00392568/step Wall: 539.033, 0.00392568/step, 2.57917 hours remaining, 110.386719 MB of memory in use. ENERGY: 134800 637.1971 1835.7808 1943.3371 101.6048 -0.3195 -1062.4984 0.0000 0.0000 2710.2772 6165.3791 299.3577 3455.1020 6198.7608 296.8405 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: 539.818, 0.00392498/step Wall: 539.818, 0.00392498/step, 2.5785 hours remaining, 110.386719 MB of memory in use. ENERGY: 135000 656.0462 1846.2108 1932.9225 110.2826 0.1711 -1081.3636 0.0000 0.0000 2689.6123 6153.8819 297.0752 3464.2696 6186.2809 298.6527 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: 540.602, 0.00391759/step Wall: 540.602, 0.00391759/step, 2.57342 hours remaining, 110.386719 MB of memory in use. ENERGY: 135200 644.6793 1784.8449 1916.7193 105.4118 0.3429 -1056.4057 0.0000 0.0000 2753.4068 6148.9993 304.1215 3395.5924 6181.3770 298.9400 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: 541.387, 0.00392507/step Wall: 541.387, 0.00392507/step, 2.57812 hours remaining, 110.386719 MB of memory in use. ENERGY: 135400 677.8471 1792.1239 1943.3302 114.7977 0.2569 -1071.7142 0.0000 0.0000 2734.4499 6191.0916 302.0276 3456.6417 6226.3961 298.8264 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: 542.171, 0.00392313/step Wall: 542.171, 0.00392313/step, 2.57663 hours remaining, 110.386719 MB of memory in use. ENERGY: 135600 669.5974 1825.1730 1947.8416 114.9219 0.8161 -1088.6670 0.0000 0.0000 2670.3175 6140.0004 294.9440 3469.6829 6170.8558 297.9061 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: 542.956, 0.00392573/step Wall: 542.956, 0.00392573/step, 2.57811 hours remaining, 110.386719 MB of memory in use. ENERGY: 135800 651.8666 1849.3542 1968.8294 107.7865 -0.0453 -1085.9007 0.0000 0.0000 2648.3642 6140.2549 292.5192 3491.8907 6168.6480 297.2685 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: 543.741, 0.00392399/step Wall: 543.741, 0.00392399/step, 2.57676 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 136000 618.9033 1879.2363 1958.0222 103.4182 1.1433 -1095.6246 0.0000 0.0000 2677.9721 6143.0708 295.7895 3465.0987 6175.9919 296.6369 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: 544.529, 0.00393909/step Wall: 544.529, 0.00393909/step, 2.58645 hours remaining, 110.386719 MB of memory in use. ENERGY: 136200 659.9341 1875.3458 1917.0645 107.1228 -0.1138 -1099.1200 0.0000 0.0000 2714.5965 6174.8298 299.8347 3460.2333 6205.2740 297.3272 LDB: ============= START OF LOAD BALANCING ============== 547.232 LDB: ============== END OF LOAD BALANCING =============== 547.232 LDB: =============== DONE WITH MIGRATION ================ 547.232 LDB: ============= START OF LOAD BALANCING ============== 547.625 LDB: ============== END OF LOAD BALANCING =============== 547.625 LDB: =============== DONE WITH MIGRATION ================ 547.625 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: 545.316, 0.00393414/step Wall: 545.316, 0.00393414/step, 2.58298 hours remaining, 110.386719 MB of memory in use. ENERGY: 136400 679.6032 1842.7541 1942.5319 127.1885 -0.1791 -1076.4408 0.0000 0.0000 2706.1304 6221.5881 298.8996 3515.4577 6253.0528 300.0654 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: 546.102, 0.00392978/step Wall: 546.102, 0.00392978/step, 2.5799 hours remaining, 110.386719 MB of memory in use. ENERGY: 136600 682.9550 1879.5634 1936.9985 102.7259 -0.1789 -1093.6830 0.0000 0.0000 2691.4140 6199.7949 297.2742 3508.3809 6231.9244 299.8078 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: 546.887, 0.0039266/step Wall: 546.887, 0.0039266/step, 2.57759 hours remaining, 110.386719 MB of memory in use. ENERGY: 136800 661.9717 1829.5308 1923.8444 101.7297 1.2269 -1094.3420 0.0000 0.0000 2737.8015 6161.7629 302.3978 3423.9615 6192.4892 298.9672 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: 547.671, 0.00391968/step Wall: 547.671, 0.00391968/step, 2.57284 hours remaining, 110.386719 MB of memory in use. ENERGY: 137000 680.8582 1823.0540 1936.3860 105.5300 1.5671 -1122.2928 0.0000 0.0000 2703.5610 6128.6634 298.6158 3425.1024 6160.5943 297.8312 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: 548.457, 0.00392788/step Wall: 548.457, 0.00392788/step, 2.578 hours remaining, 110.386719 MB of memory in use. ENERGY: 137200 622.8589 1849.7581 1975.7550 108.9835 1.1159 -1117.3088 0.0000 0.0000 2771.2302 6212.3929 306.0901 3441.1627 6245.7101 296.9472 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: 549.242, 0.00392534/step Wall: 549.242, 0.00392534/step, 2.57612 hours remaining, 110.386719 MB of memory in use. ENERGY: 137400 704.3137 1854.2975 1938.3698 96.1968 0.2329 -1114.2110 0.0000 0.0000 2681.1883 6160.3879 296.1447 3479.1997 6193.3727 299.1728 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: 550.027, 0.00392615/step Wall: 550.027, 0.00392615/step, 2.57643 hours remaining, 110.386719 MB of memory in use. ENERGY: 137600 670.9777 1904.3973 1947.6551 114.3361 1.0437 -1141.9451 0.0000 0.0000 2673.9749 6170.4395 295.3480 3496.4647 6202.1414 298.3017 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: 550.812, 0.00392599/step Wall: 550.812, 0.00392599/step, 2.5761 hours remaining, 110.386719 MB of memory in use. ENERGY: 137800 645.4843 1825.3847 1947.5091 110.2696 2.2940 -1051.2216 0.0000 0.0000 2697.4004 6177.1204 297.9354 3479.7200 6209.6611 298.8024 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: 551.596, 0.00391839/step Wall: 551.596, 0.00391839/step, 2.5709 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 138000 664.7805 1916.4556 1941.2889 94.3392 1.3977 -1086.1837 0.0000 0.0000 2698.8532 6230.9315 298.0959 3532.0783 6261.6252 299.9237 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: 552.381, 0.00392563/step Wall: 552.381, 0.00392563/step, 2.57543 hours remaining, 110.386719 MB of memory in use. ENERGY: 138200 650.3332 1874.6411 1929.7549 108.4766 0.4918 -1150.8973 0.0000 0.0000 2767.6414 6180.4418 305.6937 3412.8004 6215.1172 299.7835 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: 553.166, 0.00392553/step Wall: 553.166, 0.00392553/step, 2.57515 hours remaining, 110.386719 MB of memory in use. ENERGY: 138400 656.3894 1861.3274 1952.3249 106.8202 0.8108 -1087.9134 0.0000 0.0000 2725.0639 6214.8231 300.9909 3489.7593 6247.3778 299.3239 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: 553.951, 0.0039256/step Wall: 553.951, 0.0039256/step, 2.57497 hours remaining, 110.386719 MB of memory in use. ENERGY: 138600 635.2635 1887.3615 1950.6351 110.8316 -0.1809 -1057.2805 0.0000 0.0000 2681.0442 6207.6745 296.1288 3526.6303 6240.3187 299.1420 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: 554.735, 0.00391846/step Wall: 554.735, 0.00391846/step, 2.57007 hours remaining, 110.386719 MB of memory in use. ENERGY: 138800 632.8638 1867.0462 1953.0459 110.1792 0.9585 -1109.0366 0.0000 0.0000 2682.9228 6137.9797 296.3363 3455.0569 6172.6480 297.7366 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: 555.52, 0.00392493/step Wall: 555.52, 0.00392493/step, 2.5741 hours remaining, 110.386719 MB of memory in use. ENERGY: 139000 658.1368 1826.9245 1942.9217 105.7522 -0.2019 -1100.7504 0.0000 0.0000 2719.9563 6152.7392 300.4268 3432.7829 6186.7614 298.5331 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: 556.306, 0.00393033/step Wall: 556.306, 0.00393032/step, 2.57742 hours remaining, 110.386719 MB of memory in use. ENERGY: 139200 644.3290 1875.8473 1938.8584 104.7860 -0.8341 -1102.6949 0.0000 0.0000 2776.5589 6236.8504 306.6787 3460.2916 6270.5132 301.0735 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: 557.091, 0.00392548/step Wall: 557.091, 0.00392548/step, 2.57403 hours remaining, 110.386719 MB of memory in use. ENERGY: 139400 684.6117 1872.7470 1950.8578 100.7660 0.5352 -1088.9204 0.0000 0.0000 2726.5221 6247.1193 301.1520 3520.5973 6280.9664 301.3880 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: 557.876, 0.00392549/step Wall: 557.876, 0.00392549/step, 2.57381 hours remaining, 110.386719 MB of memory in use. ENERGY: 139600 664.0697 1912.4781 1940.9657 99.3789 -0.3950 -1076.5591 0.0000 0.0000 2702.6761 6242.6143 298.5181 3539.9383 6273.6507 303.0075 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: 558.661, 0.00392266/step Wall: 558.661, 0.00392266/step, 2.57174 hours remaining, 110.386719 MB of memory in use. ENERGY: 139800 673.9076 1834.2560 1953.2292 113.3049 0.4138 -1095.5587 0.0000 0.0000 2694.5122 6174.0651 297.6164 3479.5529 6204.9686 301.3557 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: 559.446, 0.00392685/step Wall: 559.446, 0.00392685/step, 2.57427 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 140000 650.6569 1788.3838 1934.6601 102.6875 0.3227 -1082.8318 0.0000 0.0000 2753.4114 6147.2908 304.1220 3393.8793 6182.9726 297.3319 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 140000 WRITING COORDINATES TO DCD FILE MD.1.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: 560.267, 0.00410278/step Wall: 560.267, 0.00410278/step, 2.68937 hours remaining, 110.386719 MB of memory in use. ENERGY: 140200 666.4662 1844.6536 1942.3217 103.3182 0.5392 -1076.8515 0.0000 0.0000 2711.7127 6192.1600 299.5162 3480.4473 6226.9194 298.2878 LDB: ============= START OF LOAD BALANCING ============== 562.968 LDB: ============== END OF LOAD BALANCING =============== 562.968 LDB: =============== DONE WITH MIGRATION ================ 562.968 LDB: ============= START OF LOAD BALANCING ============== 563.361 LDB: ============== END OF LOAD BALANCING =============== 563.361 LDB: =============== DONE WITH MIGRATION ================ 563.362 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: 561.053, 0.00392966/step Wall: 561.053, 0.00392966/step, 2.57567 hours remaining, 110.386719 MB of memory in use. ENERGY: 140400 627.8023 1881.7409 1942.4009 106.7483 0.4432 -1070.2461 0.0000 0.0000 2696.2818 6185.1713 297.8118 3488.8896 6218.5189 299.4469 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: 561.837, 0.00392308/step Wall: 561.837, 0.00392308/step, 2.57114 hours remaining, 110.386719 MB of memory in use. ENERGY: 140600 648.7013 1884.8958 1979.5049 102.4457 2.7772 -1097.4518 0.0000 0.0000 2684.5304 6205.4035 296.5139 3520.8732 6240.5165 298.8202 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: 562.621, 0.00391791/step Wall: 562.621, 0.00391791/step, 2.56754 hours remaining, 110.386719 MB of memory in use. ENERGY: 140800 641.6927 1849.5261 1940.6133 102.8202 1.3510 -1079.2408 0.0000 0.0000 2738.3831 6195.1456 302.4620 3456.7626 6228.7534 300.0967 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: 563.405, 0.00392303/step Wall: 563.405, 0.00392303/step, 2.57068 hours remaining, 110.386719 MB of memory in use. ENERGY: 141000 675.8563 1861.4438 1943.3635 99.0500 0.7722 -1094.3580 0.0000 0.0000 2718.8336 6204.9614 300.3027 3486.1278 6237.0895 300.4640 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: 564.19, 0.00392258/step Wall: 564.19, 0.00392258/step, 2.57016 hours remaining, 110.386719 MB of memory in use. ENERGY: 141200 681.0838 1838.7882 1939.3513 97.2384 1.4845 -1080.1126 0.0000 0.0000 2730.4560 6208.2896 301.5865 3477.8336 6243.7079 300.5133 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: 564.975, 0.00392457/step Wall: 564.975, 0.00392457/step, 2.57125 hours remaining, 110.386719 MB of memory in use. ENERGY: 141400 699.9980 1794.5628 1943.3665 98.6294 1.2691 -1070.3399 0.0000 0.0000 2744.4826 6211.9685 303.1357 3467.4859 6247.7629 301.6540 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: 565.758, 0.00391852/step Wall: 565.758, 0.00391852/step, 2.56707 hours remaining, 110.386719 MB of memory in use. ENERGY: 141600 664.7296 1840.7981 1949.4293 116.1917 1.2455 -1063.0147 0.0000 0.0000 2684.1922 6193.5718 296.4765 3509.3796 6223.9450 301.0031 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: 566.543, 0.00392373/step Wall: 566.543, 0.00392373/step, 2.57026 hours remaining, 110.386719 MB of memory in use. ENERGY: 141800 675.5138 1845.5546 1949.9280 103.6119 1.7944 -1087.4898 0.0000 0.0000 2674.0687 6162.9815 295.3583 3488.9128 6192.4215 297.5970 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: 567.328, 0.00392354/step Wall: 567.328, 0.00392354/step, 2.56992 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 142000 657.8881 1871.8585 1969.5841 104.6642 1.0780 -1100.8878 0.0000 0.0000 2660.1080 6164.2932 293.8163 3504.1851 6198.7790 297.0801 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: 568.112, 0.00392167/step Wall: 568.112, 0.00392167/step, 2.56848 hours remaining, 110.386719 MB of memory in use. ENERGY: 142200 654.2194 1795.5330 1944.8919 112.1939 1.2069 -1070.4467 0.0000 0.0000 2716.4848 6154.0831 300.0433 3437.5983 6186.0782 296.9783 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: 568.897, 0.00392536/step Wall: 568.897, 0.00392536/step, 2.57067 hours remaining, 110.386719 MB of memory in use. ENERGY: 142400 626.6253 1835.0510 1962.7597 118.5836 1.1031 -1042.6899 0.0000 0.0000 2684.7067 6186.1395 296.5333 3501.4329 6218.6869 298.6738 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: 569.681, 0.0039176/step Wall: 569.681, 0.0039176/step, 2.56538 hours remaining, 110.386719 MB of memory in use. ENERGY: 142600 657.5640 1871.6799 1937.6669 110.4310 1.3709 -1071.4908 0.0000 0.0000 2714.2540 6221.4759 299.7969 3507.2219 6254.3838 299.0613 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: 570.466, 0.00392403/step Wall: 570.466, 0.00392403/step, 2.56937 hours remaining, 110.386719 MB of memory in use. ENERGY: 142800 663.4865 1854.9993 1930.1559 118.4343 0.7952 -1071.4570 0.0000 0.0000 2659.3991 6155.8132 293.7380 3496.4142 6191.9586 298.0222 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: 571.25, 0.00392316/step Wall: 571.25, 0.00392316/step, 2.56858 hours remaining, 110.386719 MB of memory in use. ENERGY: 143000 639.3949 1879.0201 1922.2248 94.2817 1.6431 -1089.4666 0.0000 0.0000 2707.6627 6154.7607 299.0689 3447.0980 6188.4550 296.0755 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: 572.035, 0.00392244/step Wall: 572.035, 0.00392244/step, 2.56789 hours remaining, 110.386719 MB of memory in use. ENERGY: 143200 652.4342 1895.8559 1933.2271 104.2768 1.0042 -1090.5528 0.0000 0.0000 2686.6084 6182.8537 296.7434 3496.2453 6215.8664 298.1520 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: 572.819, 0.003923/step Wall: 572.819, 0.003923/step, 2.56804 hours remaining, 110.386719 MB of memory in use. ENERGY: 143400 647.3308 1854.9327 1945.7424 109.3245 1.3219 -1077.5748 0.0000 0.0000 2661.5428 6142.6204 293.9748 3481.0776 6176.1043 298.4150 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: 573.603, 0.0039168/step Wall: 573.603, 0.0039168/step, 2.56376 hours remaining, 110.386719 MB of memory in use. ENERGY: 143600 637.0116 1791.4302 1952.8193 108.6064 0.4300 -1060.7458 0.0000 0.0000 2693.3168 6122.8685 297.4843 3429.5516 6154.9840 295.2722 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: 574.387, 0.00392372/step Wall: 574.387, 0.00392372/step, 2.56807 hours remaining, 110.386719 MB of memory in use. ENERGY: 143800 681.7494 1816.6731 1967.4748 114.3561 0.0738 -1099.3749 0.0000 0.0000 2704.8035 6185.7557 298.7531 3480.9523 6217.5293 297.4238 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: 575.172, 0.00392095/step Wall: 575.172, 0.00392095/step, 2.56604 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 144000 664.8354 1839.2172 1967.4420 99.9521 -0.1471 -1087.8365 0.0000 0.0000 2762.6370 6246.1002 305.1409 3483.4632 6281.1115 298.9759 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: 575.956, 0.00392236/step Wall: 575.956, 0.00392236/step, 2.56675 hours remaining, 110.386719 MB of memory in use. ENERGY: 144200 614.6280 1830.1406 2003.6653 108.7816 -0.7594 -1055.5969 0.0000 0.0000 2732.6096 6233.4687 301.8243 3500.8591 6266.2552 300.5733 LDB: ============= START OF LOAD BALANCING ============== 578.657 LDB: ============== END OF LOAD BALANCING =============== 578.657 LDB: =============== DONE WITH MIGRATION ================ 578.657 LDB: ============= START OF LOAD BALANCING ============== 579.05 LDB: ============== END OF LOAD BALANCING =============== 579.05 LDB: =============== DONE WITH MIGRATION ================ 579.05 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: 576.741, 0.00392226/step Wall: 576.741, 0.00392226/step, 2.56647 hours remaining, 110.386719 MB of memory in use. ENERGY: 144400 695.9538 1827.1819 1953.9203 115.4018 -0.4573 -1073.7274 0.0000 0.0000 2715.6996 6233.9727 299.9566 3518.2732 6264.1047 300.3081 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: 577.526, 0.00392489/step Wall: 577.526, 0.00392489/step, 2.56797 hours remaining, 110.386719 MB of memory in use. ENERGY: 144600 658.2491 1823.5004 1952.2235 113.7002 0.8712 -1066.2999 0.0000 0.0000 2705.9855 6188.2300 298.8836 3482.2445 6221.5492 301.0978 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: 578.31, 0.00392421/step Wall: 578.31, 0.00392421/step, 2.56731 hours remaining, 110.386719 MB of memory in use. ENERGY: 144800 648.8809 1859.5487 1975.5813 127.3248 -0.1431 -1103.9863 0.0000 0.0000 2720.7963 6228.0028 300.5195 3507.2064 6263.4275 298.9828 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: 579.095, 0.00392371/step Wall: 579.095, 0.00392371/step, 2.56676 hours remaining, 110.386719 MB of memory in use. ENERGY: 145000 642.6445 1853.0487 1986.9386 113.8246 0.5376 -1065.4969 0.0000 0.0000 2695.8371 6227.3342 297.7627 3531.4971 6261.3307 299.9486 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: 579.88, 0.00392343/step Wall: 579.88, 0.00392343/step, 2.56636 hours remaining, 110.386719 MB of memory in use. ENERGY: 145200 664.4910 1875.2046 1954.2164 120.7646 0.0798 -1077.7192 0.0000 0.0000 2741.4305 6278.4677 302.7986 3537.0372 6307.4059 303.6105 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: 580.663, 0.00391657/step Wall: 580.663, 0.00391657/step, 2.56165 hours remaining, 110.386719 MB of memory in use. ENERGY: 145400 688.3869 1913.1764 2003.2751 105.6796 1.0939 -1109.4157 0.0000 0.0000 2666.0436 6268.2397 294.4719 3602.1961 6299.1223 305.0337 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: 581.448, 0.00392172/step Wall: 581.448, 0.00392172/step, 2.56481 hours remaining, 110.386719 MB of memory in use. ENERGY: 145600 672.5096 1911.2817 1935.4429 116.0225 0.7215 -1157.1661 0.0000 0.0000 2774.0709 6252.8829 306.4039 3478.8120 6285.6766 303.5662 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: 582.232, 0.00392298/step Wall: 582.232, 0.00392298/step, 2.56541 hours remaining, 110.386719 MB of memory in use. ENERGY: 145800 700.4535 1827.4388 1980.4334 119.0767 0.6433 -1105.6228 0.0000 0.0000 2721.9574 6244.3802 300.6478 3522.4228 6277.8428 304.2849 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: 583.017, 0.00392398/step Wall: 583.017, 0.00392398/step, 2.56585 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 146000 690.0639 1870.5469 1928.5116 109.5845 1.4272 -1054.5158 0.0000 0.0000 2732.2969 6277.9152 301.7898 3545.6183 6312.7912 302.4899 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: 583.8, 0.00391627/step Wall: 583.8, 0.00391627/step, 2.56059 hours remaining, 110.386719 MB of memory in use. ENERGY: 146200 640.3308 1846.2497 1970.9478 103.7931 1.6793 -1045.5769 0.0000 0.0000 2743.0912 6260.5152 302.9821 3517.4240 6291.0943 303.5417 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: 584.585, 0.00392394/step Wall: 584.585, 0.00392394/step, 2.56538 hours remaining, 110.386719 MB of memory in use. ENERGY: 146400 681.8746 1915.4223 1929.4748 105.2071 1.6285 -1089.7789 0.0000 0.0000 2783.2055 6327.0339 307.4128 3543.8284 6360.3953 304.5765 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: 585.369, 0.00392203/step Wall: 585.369, 0.00392204/step, 2.56392 hours remaining, 110.386719 MB of memory in use. ENERGY: 146600 685.6719 1852.5876 1940.1166 108.0899 1.2859 -1038.7082 0.0000 0.0000 2760.1138 6309.1575 304.8623 3549.0438 6341.4617 305.9589 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: 586.154, 0.00392255/step Wall: 586.154, 0.00392255/step, 2.56404 hours remaining, 110.386719 MB of memory in use. ENERGY: 146800 713.0791 1838.6894 1969.8611 110.8436 0.1810 -1129.4542 0.0000 0.0000 2745.3264 6248.5263 303.2289 3503.2000 6283.8141 304.6563 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: 586.939, 0.00392399/step Wall: 586.939, 0.00392399/step, 2.56477 hours remaining, 110.386719 MB of memory in use. ENERGY: 147000 669.7435 1835.0563 1961.3260 101.1122 1.7861 -1082.9088 0.0000 0.0000 2711.7100 6197.8251 299.5159 3486.1152 6231.1897 300.0016 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: 587.722, 0.00391688/step Wall: 587.722, 0.00391688/step, 2.5599 hours remaining, 110.386719 MB of memory in use. ENERGY: 147200 662.1638 1832.1189 1958.2050 99.3388 1.9266 -1119.9256 0.0000 0.0000 2768.0108 6201.8382 305.7345 3433.8274 6235.4936 301.1190 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: 588.507, 0.00392512/step Wall: 588.507, 0.00392512/step, 2.56507 hours remaining, 110.386719 MB of memory in use. ENERGY: 147400 639.7190 1865.1877 1974.4994 115.2178 1.8222 -1096.0644 0.0000 0.0000 2723.3652 6223.7469 300.8033 3500.3816 6259.3547 300.1185 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: 589.292, 0.00392552/step Wall: 589.292, 0.00392552/step, 2.56511 hours remaining, 110.386719 MB of memory in use. ENERGY: 147600 692.6141 1803.2454 1940.3060 112.7547 0.9491 -1087.4473 0.0000 0.0000 2732.6698 6195.0919 301.8310 3462.4221 6229.3069 300.6542 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: 590.076, 0.00392128/step Wall: 590.076, 0.00392128/step, 2.56212 hours remaining, 110.386719 MB of memory in use. ENERGY: 147800 652.0226 1855.6332 2007.0776 112.2301 0.8916 -1114.3531 0.0000 0.0000 2710.7395 6224.2416 299.4087 3513.5021 6258.1564 299.2480 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: 590.861, 0.00392504/step Wall: 590.861, 0.00392504/step, 2.56436 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 148000 651.8029 1876.0413 1957.9635 100.0699 -0.2665 -1088.0811 0.0000 0.0000 2703.1665 6200.6965 298.5723 3497.5300 6234.0180 298.5623 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: 591.645, 0.00391688/step Wall: 591.645, 0.00391688/step, 2.55881 hours remaining, 110.386719 MB of memory in use. ENERGY: 148200 673.6761 1871.1999 1958.8490 111.8555 -0.1639 -1093.5440 0.0000 0.0000 2734.6003 6256.4728 302.0442 3521.8725 6292.8906 301.2253 LDB: ============= START OF LOAD BALANCING ============== 594.347 LDB: ============== END OF LOAD BALANCING =============== 594.347 LDB: =============== DONE WITH MIGRATION ================ 594.347 LDB: ============= START OF LOAD BALANCING ============== 594.739 LDB: ============== END OF LOAD BALANCING =============== 594.739 LDB: =============== DONE WITH MIGRATION ================ 594.74 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: 592.431, 0.00392853/step Wall: 592.431, 0.00392853/step, 2.5662 hours remaining, 110.386719 MB of memory in use. ENERGY: 148400 629.1607 1847.1135 1958.6229 113.0969 -1.3089 -1089.9471 0.0000 0.0000 2812.7725 6269.5104 310.6786 3456.7380 6306.0289 303.4561 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: 593.215, 0.00392318/step Wall: 593.215, 0.00392318/step, 2.56249 hours remaining, 110.386719 MB of memory in use. ENERGY: 148600 649.6683 1874.4911 1950.8827 113.1841 0.7696 -1056.6793 0.0000 0.0000 2714.5538 6246.8704 299.8300 3532.3166 6280.9018 303.0596 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: 594, 0.00392489/step Wall: 594, 0.00392489/step, 2.56339 hours remaining, 110.386719 MB of memory in use. ENERGY: 148800 643.1068 1872.0063 1930.2713 108.0492 0.3446 -1082.7326 0.0000 0.0000 2775.8605 6246.9061 306.6015 3471.0456 6280.9626 300.6233 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: 594.784, 0.00391727/step Wall: 594.784, 0.00391727/step, 2.5582 hours remaining, 110.386719 MB of memory in use. ENERGY: 149000 658.6045 1874.1457 1977.2961 114.6093 1.0049 -1035.9775 0.0000 0.0000 2692.6236 6282.3066 297.4078 3589.6830 6311.8341 301.7897 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: 595.568, 0.00392428/step Wall: 595.568, 0.00392428/step, 2.56255 hours remaining, 110.386719 MB of memory in use. ENERGY: 149200 638.2711 1898.6523 1967.4042 107.6021 0.5188 -1045.0950 0.0000 0.0000 2718.0956 6285.4491 300.2212 3567.3536 6322.8744 302.0761 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: 596.354, 0.00392884/step Wall: 596.354, 0.00392884/step, 2.56531 hours remaining, 110.386719 MB of memory in use. ENERGY: 149400 633.4308 1864.5826 1963.5255 107.8068 0.9974 -1065.7585 0.0000 0.0000 2732.3286 6236.9131 301.7933 3504.5846 6271.2466 302.1015 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: 597.138, 0.00392135/step Wall: 597.138, 0.00392135/step, 2.5602 hours remaining, 110.386719 MB of memory in use. ENERGY: 149600 635.7939 1853.1920 2003.0815 105.6252 -0.1104 -1053.4007 0.0000 0.0000 2737.4134 6281.5949 302.3549 3544.1815 6318.5232 302.0203 PRESSURE: 149800 0 0 0 0 0 0 0 0 0 GPRESSURE: 149800 0 0 0 0 0 0 0 0 0 PRESSAVG: 149800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 149800 0 0 0 0 0 0 0 0 0 TIMING: 149800 CPU: 597.923, 0.00392354/step Wall: 597.923, 0.00392354/step, 2.56142 hours remaining, 110.386719 MB of memory in use. ENERGY: 149800 665.9396 1843.3732 1964.1269 105.7582 0.4682 -1075.3895 0.0000 0.0000 2742.4795 6246.7561 302.9145 3504.2766 6279.3631 302.9326 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: 598.707, 0.00391854/step Wall: 598.707, 0.00391854/step, 2.55794 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 150000 688.0615 1822.9483 1964.6920 108.5438 -0.1701 -1040.6674 0.0000 0.0000 2710.7593 6254.1673 299.4109 3543.4080 6288.1675 301.7114 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 150000 WRITING COORDINATES TO DCD FILE MD.1.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: 599.563, 0.00427979/step Wall: 599.563, 0.00427979/step, 2.79352 hours remaining, 110.386719 MB of memory in use. ENERGY: 150200 676.7161 1866.6432 1965.1699 112.5518 -0.1758 -1099.1002 0.0000 0.0000 2704.1557 6225.9607 298.6815 3521.8050 6260.1815 300.0016 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: 600.347, 0.00392325/step Wall: 600.347, 0.00392325/step, 2.56057 hours remaining, 110.386719 MB of memory in use. ENERGY: 150400 639.8053 1887.1208 1951.8693 96.5611 0.0420 -1067.0584 0.0000 0.0000 2715.8676 6224.2078 299.9751 3508.3401 6256.3540 299.3235 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: 601.169, 0.0041058/step Wall: 601.169, 0.0041058/step, 2.67949 hours remaining, 110.386719 MB of memory in use. ENERGY: 150600 674.7214 1821.9088 1944.8050 110.7175 0.0909 -1096.1664 0.0000 0.0000 2770.7325 6226.8097 306.0351 3456.0772 6263.6861 301.2857 PRESSURE: 150800 0 0 0 0 0 0 0 0 0 GPRESSURE: 150800 0 0 0 0 0 0 0 0 0 PRESSAVG: 150800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 150800 0 0 0 0 0 0 0 0 0 TIMING: 150800 CPU: 601.953, 0.00392135/step Wall: 601.953, 0.00392135/step, 2.5589 hours remaining, 110.386719 MB of memory in use. ENERGY: 150800 674.0174 1842.6439 1951.9005 104.9018 -0.1196 -1067.6258 0.0000 0.0000 2708.9407 6214.6590 299.2101 3505.7183 6249.1829 301.4786 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: 602.737, 0.00391923/step Wall: 602.737, 0.00391923/step, 2.5573 hours remaining, 110.386719 MB of memory in use. ENERGY: 151000 656.7838 1867.6403 1946.2526 103.0071 0.1199 -1057.1132 0.0000 0.0000 2699.9401 6216.6305 298.2159 3516.6904 6250.1611 299.8680 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: 603.521, 0.00391944/step Wall: 603.521, 0.00391944/step, 2.55722 hours remaining, 110.386719 MB of memory in use. ENERGY: 151200 692.1811 1840.5515 1935.5216 109.2693 0.3871 -1028.3532 0.0000 0.0000 2711.3543 6260.9118 299.4766 3549.5574 6293.6794 301.5198 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: 604.308, 0.00393515/step Wall: 604.308, 0.00393515/step, 2.56724 hours remaining, 110.386719 MB of memory in use. ENERGY: 151400 693.3279 1873.8559 1932.7654 104.5066 0.7859 -1072.2170 0.0000 0.0000 2717.5168 6250.5415 300.1573 3533.0247 6282.3878 300.5482 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: 605.091, 0.00391844/step Wall: 605.091, 0.00391844/step, 2.55613 hours remaining, 110.386719 MB of memory in use. ENERGY: 151600 640.3965 1864.5523 1974.7841 113.1508 0.0183 -1054.3083 0.0000 0.0000 2752.9504 6291.5440 304.0710 3538.5936 6326.8232 303.3066 PRESSURE: 151800 0 0 0 0 0 0 0 0 0 GPRESSURE: 151800 0 0 0 0 0 0 0 0 0 PRESSAVG: 151800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 151800 0 0 0 0 0 0 0 0 0 TIMING: 151800 CPU: 605.876, 0.00392083/step Wall: 605.876, 0.00392083/step, 2.55747 hours remaining, 110.386719 MB of memory in use. ENERGY: 151800 703.6768 1889.6932 1937.9420 94.3919 -0.4150 -1109.5248 0.0000 0.0000 2746.8305 6262.5945 303.3951 3515.7640 6292.4424 304.7562 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: 606.659, 0.00391869/step Wall: 606.659, 0.00391869/step, 2.55586 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 152000 662.0726 1884.2329 1944.2409 119.6015 -0.7044 -1109.6343 0.0000 0.0000 2752.4062 6252.2153 304.0109 3499.8091 6286.7660 302.0660 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: 607.443, 0.00391971/step Wall: 607.443, 0.00391971/step, 2.55631 hours remaining, 110.386719 MB of memory in use. ENERGY: 152200 670.5845 1876.3473 1951.5747 113.4944 1.0979 -1109.8094 0.0000 0.0000 2705.2804 6208.5699 298.8058 3503.2895 6241.3993 301.8319 LDB: ============= START OF LOAD BALANCING ============== 610.144 LDB: ============== END OF LOAD BALANCING =============== 610.144 LDB: =============== DONE WITH MIGRATION ================ 610.144 LDB: ============= START OF LOAD BALANCING ============== 610.537 LDB: ============== END OF LOAD BALANCING =============== 610.537 LDB: =============== DONE WITH MIGRATION ================ 610.537 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: 608.228, 0.00392308/step Wall: 608.228, 0.00392308/step, 2.55829 hours remaining, 110.386719 MB of memory in use. ENERGY: 152400 664.5168 1867.2588 1955.5813 112.6319 -0.1158 -1115.8320 0.0000 0.0000 2735.6082 6219.6492 302.1555 3484.0410 6252.5785 300.2872 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: 609.011, 0.00391768/step Wall: 609.011, 0.00391768/step, 2.55454 hours remaining, 110.386719 MB of memory in use. ENERGY: 152600 652.1774 1858.0122 1948.1926 117.3253 0.0364 -1051.6581 0.0000 0.0000 2710.0215 6234.1073 299.3294 3524.0857 6264.6720 302.9387 PRESSURE: 152800 0 0 0 0 0 0 0 0 0 GPRESSURE: 152800 0 0 0 0 0 0 0 0 0 PRESSAVG: 152800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 152800 0 0 0 0 0 0 0 0 0 TIMING: 152800 CPU: 609.795, 0.00391847/step Wall: 609.795, 0.00391847/step, 2.55484 hours remaining, 110.386719 MB of memory in use. ENERGY: 152800 635.7318 1807.5326 1950.6111 123.0621 0.0059 -1035.2798 0.0000 0.0000 2707.9100 6189.5737 299.0962 3481.6637 6224.7640 301.4699 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: 610.579, 0.00391739/step Wall: 610.579, 0.00391739/step, 2.55392 hours remaining, 110.386719 MB of memory in use. ENERGY: 153000 663.4488 1895.9446 1942.9930 109.9251 -0.1352 -1068.6998 0.0000 0.0000 2705.7817 6249.2582 298.8611 3543.4765 6282.6406 300.2316 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: 611.362, 0.00391799/step Wall: 611.362, 0.00391799/step, 2.55409 hours remaining, 110.386719 MB of memory in use. ENERGY: 153200 669.9967 1830.3500 1959.6552 110.2715 -0.1732 -1073.6983 0.0000 0.0000 2706.7979 6203.1998 298.9734 3496.4019 6236.9105 299.1260 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: 612.146, 0.00391784/step Wall: 612.146, 0.00391784/step, 2.55378 hours remaining, 110.386719 MB of memory in use. ENERGY: 153400 652.3246 1783.8026 1943.4517 111.4497 1.8248 -1028.5920 0.0000 0.0000 2758.8332 6223.0947 304.7208 3464.2614 6257.1759 298.2144 PRESSURE: 153600 0 0 0 0 0 0 0 0 0 GPRESSURE: 153600 0 0 0 0 0 0 0 0 0 PRESSAVG: 153600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153600 0 0 0 0 0 0 0 0 0 TIMING: 153600 CPU: 612.929, 0.00391657/step Wall: 612.929, 0.00391657/step, 2.55273 hours remaining, 110.386719 MB of memory in use. ENERGY: 153600 670.9757 1844.0665 1950.4480 107.7642 1.0468 -1061.4535 0.0000 0.0000 2739.3826 6252.2303 302.5724 3512.8477 6286.4777 302.5188 PRESSURE: 153800 0 0 0 0 0 0 0 0 0 GPRESSURE: 153800 0 0 0 0 0 0 0 0 0 PRESSAVG: 153800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 153800 0 0 0 0 0 0 0 0 0 TIMING: 153800 CPU: 613.712, 0.00391708/step Wall: 613.712, 0.00391708/step, 2.55285 hours remaining, 110.386719 MB of memory in use. ENERGY: 153800 653.2567 1887.6478 1913.1020 106.3541 -0.1252 -1035.6934 0.0000 0.0000 2775.9892 6300.5311 306.6157 3524.5419 6335.0680 302.7642 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: 614.496, 0.0039158/step Wall: 614.496, 0.0039158/step, 2.5518 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 154000 638.9597 1870.0911 1925.8163 111.4084 -0.4349 -1065.5018 0.0000 0.0000 2753.2380 6233.5767 304.1028 3480.3388 6268.1288 302.6050 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: 615.279, 0.00391576/step Wall: 615.279, 0.00391576/step, 2.55155 hours remaining, 110.386719 MB of memory in use. ENERGY: 154200 693.1803 1891.2363 1955.9064 102.2187 -0.0165 -1070.9485 0.0000 0.0000 2637.8580 6209.4346 291.3588 3571.5767 6241.9313 300.5067 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: 616.062, 0.00391786/step Wall: 616.062, 0.00391786/step, 2.55271 hours remaining, 110.386719 MB of memory in use. ENERGY: 154400 709.5793 1883.3605 1927.9663 124.5979 -1.6154 -1081.9641 0.0000 0.0000 2628.0068 6189.9313 290.2707 3561.9245 6219.0242 299.1978 PRESSURE: 154600 0 0 0 0 0 0 0 0 0 GPRESSURE: 154600 0 0 0 0 0 0 0 0 0 PRESSAVG: 154600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 154600 0 0 0 0 0 0 0 0 0 TIMING: 154600 CPU: 616.845, 0.00391562/step Wall: 616.845, 0.00391562/step, 2.55102 hours remaining, 110.386719 MB of memory in use. ENERGY: 154600 665.5116 1944.6756 1947.3148 115.9168 -0.7502 -1089.0594 0.0000 0.0000 2687.2537 6270.8630 296.8147 3583.6092 6303.3928 300.9168 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: 617.629, 0.00391646/step Wall: 617.629, 0.00391646/step, 2.55136 hours remaining, 110.386719 MB of memory in use. ENERGY: 154800 656.2558 1887.2710 1936.6030 107.4257 -0.1922 -1071.7065 0.0000 0.0000 2743.6333 6259.2902 303.0419 3515.6569 6294.9801 301.5603 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: 618.412, 0.00391808/step Wall: 618.412, 0.00391808/step, 2.55219 hours remaining, 110.386719 MB of memory in use. ENERGY: 155000 658.0471 1897.0468 1959.9585 103.5818 -0.1213 -1106.1004 0.0000 0.0000 2722.4446 6234.8570 300.7016 3512.4124 6268.1138 300.9666 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: 619.196, 0.00391662/step Wall: 619.196, 0.00391662/step, 2.55102 hours remaining, 110.386719 MB of memory in use. ENERGY: 155200 656.4900 1885.8885 1937.8520 120.4788 -0.3674 -1077.8818 0.0000 0.0000 2755.3690 6277.8292 304.3382 3522.4602 6313.0066 301.8462 PRESSURE: 155400 0 0 0 0 0 0 0 0 0 GPRESSURE: 155400 0 0 0 0 0 0 0 0 0 PRESSAVG: 155400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155400 0 0 0 0 0 0 0 0 0 TIMING: 155400 CPU: 619.98, 0.0039194/step Wall: 619.98, 0.0039194/step, 2.55262 hours remaining, 110.386719 MB of memory in use. ENERGY: 155400 701.1224 1851.9304 1944.5509 110.2782 0.3828 -1029.9571 0.0000 0.0000 2781.9440 6360.2517 307.2735 3578.3077 6393.3551 305.2716 PRESSURE: 155600 0 0 0 0 0 0 0 0 0 GPRESSURE: 155600 0 0 0 0 0 0 0 0 0 PRESSAVG: 155600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 155600 0 0 0 0 0 0 0 0 0 TIMING: 155600 CPU: 620.763, 0.00391744/step Wall: 620.763, 0.00391744/step, 2.55112 hours remaining, 110.386719 MB of memory in use. ENERGY: 155600 654.1054 1857.1207 1991.7772 117.4946 -0.1991 -1036.8277 0.0000 0.0000 2742.7118 6326.1830 302.9402 3583.4711 6359.6723 306.2796 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: 621.546, 0.00391714/step Wall: 621.546, 0.00391714/step, 2.55071 hours remaining, 110.386719 MB of memory in use. ENERGY: 155800 707.4570 1904.3268 1923.8475 112.3414 -0.6252 -1056.8205 0.0000 0.0000 2752.6750 6343.2020 304.0406 3590.5270 6376.0874 304.2203 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: 622.33, 0.00391768/step Wall: 622.33, 0.00391768/step, 2.55084 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 156000 660.5296 1967.3921 1951.0612 108.2883 -0.1491 -1057.8830 0.0000 0.0000 2736.6024 6365.8414 302.2654 3629.2391 6399.0846 307.0599 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: 623.113, 0.00391662/step Wall: 623.113, 0.00391662/step, 2.54993 hours remaining, 110.386719 MB of memory in use. ENERGY: 156200 648.4351 1929.4789 1979.6285 111.2004 -0.4985 -1049.1234 0.0000 0.0000 2678.4173 6297.5384 295.8387 3619.1211 6327.3678 304.4072 LDB: ============= START OF LOAD BALANCING ============== 625.814 LDB: ============== END OF LOAD BALANCING =============== 625.814 LDB: =============== DONE WITH MIGRATION ================ 625.814 LDB: ============= START OF LOAD BALANCING ============== 626.207 LDB: ============== END OF LOAD BALANCING =============== 626.207 LDB: =============== DONE WITH MIGRATION ================ 626.207 PRESSURE: 156400 0 0 0 0 0 0 0 0 0 GPRESSURE: 156400 0 0 0 0 0 0 0 0 0 PRESSAVG: 156400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156400 0 0 0 0 0 0 0 0 0 TIMING: 156400 CPU: 623.898, 0.00392266/step Wall: 623.898, 0.00392266/step, 2.55365 hours remaining, 110.386719 MB of memory in use. ENERGY: 156400 676.5749 1893.3042 1948.1620 110.6757 0.1540 -1091.5405 0.0000 0.0000 2695.4496 6232.7800 297.7199 3537.3303 6265.5865 302.3696 PRESSURE: 156600 0 0 0 0 0 0 0 0 0 GPRESSURE: 156600 0 0 0 0 0 0 0 0 0 PRESSAVG: 156600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 156600 0 0 0 0 0 0 0 0 0 TIMING: 156600 CPU: 624.681, 0.00391605/step Wall: 624.681, 0.00391605/step, 2.54913 hours remaining, 110.386719 MB of memory in use. ENERGY: 156600 685.3572 1911.1142 1928.8225 119.9645 -1.2834 -1086.0114 0.0000 0.0000 2698.1144 6256.0780 298.0142 3557.9636 6286.4150 302.2495 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: 625.464, 0.00391688/step Wall: 625.464, 0.00391688/step, 2.54946 hours remaining, 110.386719 MB of memory in use. ENERGY: 156800 671.7809 1873.0442 1949.7047 110.4283 -0.6177 -1113.5504 0.0000 0.0000 2757.8651 6248.6552 304.6139 3490.7901 6283.9785 302.7939 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: 626.248, 0.00391801/step Wall: 626.248, 0.00391801/step, 2.54997 hours remaining, 110.386719 MB of memory in use. ENERGY: 157000 666.7300 1938.5675 1962.8582 101.9179 0.4405 -1098.7999 0.0000 0.0000 2770.3828 6342.0970 305.9965 3571.7142 6374.0890 305.8599 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: 627.031, 0.00391616/step Wall: 627.031, 0.00391616/step, 2.54855 hours remaining, 110.386719 MB of memory in use. ENERGY: 157200 660.2845 1879.1746 1933.4672 115.6899 0.3588 -1065.1393 0.0000 0.0000 2799.5773 6323.4130 309.2211 3523.8357 6359.5493 306.6457 PRESSURE: 157400 0 0 0 0 0 0 0 0 0 GPRESSURE: 157400 0 0 0 0 0 0 0 0 0 PRESSAVG: 157400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 157400 0 0 0 0 0 0 0 0 0 TIMING: 157400 CPU: 627.815, 0.00391776/step Wall: 627.815, 0.00391776/step, 2.54937 hours remaining, 110.386719 MB of memory in use. ENERGY: 157400 682.7524 1932.5393 1952.2002 110.5671 0.5261 -1071.2154 0.0000 0.0000 2747.6797 6355.0495 303.4889 3607.3698 6390.2378 305.8205 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: 629.064, 0.00624499/step Wall: 629.064, 0.00624499/step, 4.0634 hours remaining, 110.386719 MB of memory in use. ENERGY: 157600 649.2251 1847.8095 1993.2999 111.7300 -0.4840 -1035.7925 0.0000 0.0000 2769.6924 6335.4803 305.9202 3565.7879 6370.1474 305.9792 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: 629.865, 0.00400587/step Wall: 629.865, 0.00400587/step, 2.60627 hours remaining, 110.386719 MB of memory in use. ENERGY: 157800 649.5023 1910.2242 1981.2931 114.5591 1.4858 -1041.2794 0.0000 0.0000 2702.9331 6318.7181 298.5465 3615.7850 6350.8208 305.3603 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: 630.648, 0.00391544/step Wall: 630.648, 0.00391544/step, 2.54721 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 158000 686.6706 1872.2575 1985.9292 105.4656 0.0755 -1077.9499 0.0000 0.0000 2748.8814 6321.3299 303.6216 3572.4485 6356.1456 304.3780 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: 631.431, 0.00391688/step Wall: 631.431, 0.00391688/step, 2.54793 hours remaining, 110.386719 MB of memory in use. ENERGY: 158200 665.7426 1864.9346 1973.6650 116.4405 -0.1345 -1066.1791 0.0000 0.0000 2747.8044 6302.2734 303.5027 3554.4690 6338.1769 303.0729 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: 632.215, 0.00391639/step Wall: 632.215, 0.00391639/step, 2.54739 hours remaining, 110.386719 MB of memory in use. ENERGY: 158400 643.5814 1887.9174 1951.4018 108.5774 0.3909 -1053.3011 0.0000 0.0000 2716.8613 6255.4291 300.0849 3538.5678 6287.1214 302.6282 PRESSURE: 158600 0 0 0 0 0 0 0 0 0 GPRESSURE: 158600 0 0 0 0 0 0 0 0 0 PRESSAVG: 158600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 158600 0 0 0 0 0 0 0 0 0 TIMING: 158600 CPU: 632.998, 0.00391672/step Wall: 632.998, 0.00391671/step, 2.54739 hours remaining, 110.386719 MB of memory in use. ENERGY: 158600 654.2656 1894.1152 1951.5559 102.5445 0.0228 -1075.8479 0.0000 0.0000 2688.2888 6214.9450 296.9290 3526.6562 6247.7996 300.1920 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: 633.781, 0.00391667/step Wall: 633.781, 0.00391667/step, 2.54714 hours remaining, 110.386719 MB of memory in use. ENERGY: 158800 651.4689 1866.3407 1971.0200 104.7957 0.7669 -1038.6365 0.0000 0.0000 2674.5165 6230.2722 295.4078 3555.7557 6261.2935 299.4249 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: 634.565, 0.00391541/step Wall: 634.565, 0.00391541/step, 2.5461 hours remaining, 110.386719 MB of memory in use. ENERGY: 159000 652.8653 1828.7511 1943.5424 99.9373 0.8355 -1048.7784 0.0000 0.0000 2767.1261 6244.2792 305.6368 3477.1531 6280.3592 301.0446 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: 635.348, 0.00391543/step Wall: 635.348, 0.00391543/step, 2.5459 hours remaining, 110.386719 MB of memory in use. ENERGY: 159200 626.2506 1876.8084 1963.2189 110.6862 1.4352 -1094.5030 0.0000 0.0000 2686.3534 6170.2496 296.7152 3483.8962 6201.9864 299.2669 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: 636.132, 0.00391986/step Wall: 636.132, 0.00391986/step, 2.54856 hours remaining, 110.386719 MB of memory in use. ENERGY: 159400 638.9905 1857.1948 1979.7635 123.8234 0.8354 -1087.2027 0.0000 0.0000 2686.4846 6199.8895 296.7297 3513.4048 6229.7580 298.0011 PRESSURE: 159600 0 0 0 0 0 0 0 0 0 GPRESSURE: 159600 0 0 0 0 0 0 0 0 0 PRESSAVG: 159600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 159600 0 0 0 0 0 0 0 0 0 TIMING: 159600 CPU: 636.915, 0.00391621/step Wall: 636.915, 0.00391622/step, 2.54598 hours remaining, 110.386719 MB of memory in use. ENERGY: 159600 672.6708 1843.5342 1954.4523 105.0229 2.0113 -1105.8776 0.0000 0.0000 2696.6032 6168.4171 297.8473 3471.8139 6197.9937 297.5751 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: 637.698, 0.00391674/step Wall: 637.698, 0.00391674/step, 2.5461 hours remaining, 110.386719 MB of memory in use. ENERGY: 159800 660.3099 1870.2358 1960.3496 96.4470 1.1133 -1062.9769 0.0000 0.0000 2646.3002 6171.7789 292.2912 3525.4787 6201.1186 297.3389 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: 638.482, 0.00391834/step Wall: 638.482, 0.00391834/step, 2.54692 hours remaining, 110.386719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 160000 649.0687 1851.9367 1939.0376 104.3369 2.2977 -1094.8175 0.0000 0.0000 2784.3173 6236.1775 307.5356 3451.8602 6269.4293 299.6693 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 160000 WRITING COORDINATES TO DCD FILE MD.1.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: 639.344, 0.00430869/step Wall: 639.344, 0.00430869/step, 2.80041 hours remaining, 110.386719 MB of memory in use. ENERGY: 160200 667.1287 1832.7480 1974.5307 124.9372 2.4441 -1082.4252 0.0000 0.0000 2712.6873 6232.0507 299.6239 3519.3634 6265.8710 299.5287 LDB: ============= START OF LOAD BALANCING ============== 642.045 LDB: ============== END OF LOAD BALANCING =============== 642.045 LDB: =============== DONE WITH MIGRATION ================ 642.045 LDB: ============= START OF LOAD BALANCING ============== 642.44 LDB: ============== END OF LOAD BALANCING =============== 642.44 LDB: =============== DONE WITH MIGRATION ================ 642.44 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: 640.131, 0.00393631/step Wall: 640.131, 0.00393631/step, 2.55816 hours remaining, 110.386719 MB of memory in use. ENERGY: 160400 646.1406 1844.4631 1925.7870 96.1762 2.5321 -1068.2975 0.0000 0.0000 2818.7914 6265.5928 311.3434 3446.8014 6299.6503 301.7280 PRESSURE: 160600 0 0 0 0 0 0 0 0 0 GPRESSURE: 160600 0 0 0 0 0 0 0 0 0 PRESSAVG: 160600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 160600 0 0 0 0 0 0 0 0 0 TIMING: 160600 CPU: 640.915, 0.0039193/step Wall: 640.915, 0.0039193/step, 2.54689 hours remaining, 110.386719 MB of memory in use. ENERGY: 160600 594.3918 1885.2559 1964.2979 102.8554 1.9763 -1050.4473 0.0000 0.0000 2735.2489 6233.5789 302.1159 3498.3301 6265.4771 301.8894 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: 641.699, 0.0039217/step Wall: 641.699, 0.0039217/step, 2.54823 hours remaining, 110.386719 MB of memory in use. ENERGY: 160800 657.3539 1856.7961 1973.9293 106.3372 1.1813 -1082.6856 0.0000 0.0000 2725.1413 6238.0535 300.9994 3512.9122 6274.0964 300.9610 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: 642.483, 0.00392178/step Wall: 642.483, 0.00392178/step, 2.54807 hours remaining, 110.386719 MB of memory in use. ENERGY: 161000 632.2783 1863.5303 1967.7662 107.8146 1.3955 -1043.1352 0.0000 0.0000 2726.1362 6255.7859 301.1093 3529.6497 6288.6996 299.9942 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: 643.267, 0.00391989/step Wall: 643.267, 0.00391989/step, 2.54662 hours remaining, 110.386719 MB of memory in use. ENERGY: 161200 655.6600 1903.8281 1947.7525 110.2223 1.1212 -1087.5913 0.0000 0.0000 2718.0288 6249.0216 300.2139 3530.9928 6283.7728 301.6993 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: 644.052, 0.00392194/step Wall: 644.052, 0.00392194/step, 2.54773 hours remaining, 110.386719 MB of memory in use. ENERGY: 161400 631.5023 1846.2319 1944.5352 121.9431 1.1407 -1036.8348 0.0000 0.0000 2685.3998 6193.9183 296.6099 3508.5185 6227.6591 299.6177 PRESSURE: 161600 0 0 0 0 0 0 0 0 0 GPRESSURE: 161600 0 0 0 0 0 0 0 0 0 PRESSAVG: 161600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 161600 0 0 0 0 0 0 0 0 0 TIMING: 161600 CPU: 644.835, 0.00391667/step Wall: 644.835, 0.00391667/step, 2.54409 hours remaining, 110.390625 MB of memory in use. ENERGY: 161600 682.4272 1850.9808 1975.9675 94.6386 0.0950 -1098.2326 0.0000 0.0000 2678.9889 6184.8653 295.9018 3505.8764 6217.3502 299.8290 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: 645.619, 0.00392201/step Wall: 645.619, 0.00392201/step, 2.54735 hours remaining, 110.390625 MB of memory in use. ENERGY: 161800 639.8380 1821.7571 1978.9350 101.9134 0.4128 -1098.7437 0.0000 0.0000 2650.0700 6094.1824 292.7076 3444.1124 6126.0171 295.4963 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: 646.404, 0.00392248/step Wall: 646.404, 0.00392248/step, 2.54743 hours remaining, 110.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 162000 653.6138 1830.1132 1955.2347 96.4994 0.2001 -1098.1303 0.0000 0.0000 2678.8414 6116.3724 295.8855 3437.5310 6149.9033 293.7984 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: 647.188, 0.00391979/step Wall: 647.188, 0.00391979/step, 2.54547 hours remaining, 110.390625 MB of memory in use. ENERGY: 162200 628.2729 1855.7028 1933.8628 88.9444 0.6961 -1079.9546 0.0000 0.0000 2666.9265 6094.4508 294.5695 3427.5244 6126.5443 295.4151 PRESSURE: 162400 0 0 0 0 0 0 0 0 0 GPRESSURE: 162400 0 0 0 0 0 0 0 0 0 PRESSAVG: 162400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162400 0 0 0 0 0 0 0 0 0 TIMING: 162400 CPU: 647.972, 0.00392115/step Wall: 647.972, 0.00392115/step, 2.54613 hours remaining, 110.390625 MB of memory in use. ENERGY: 162400 654.5316 1888.8247 1946.8683 100.5774 1.6469 -1093.4843 0.0000 0.0000 2635.9222 6134.8868 291.1449 3498.9646 6166.0807 294.0313 PRESSURE: 162600 0 0 0 0 0 0 0 0 0 GPRESSURE: 162600 0 0 0 0 0 0 0 0 0 PRESSAVG: 162600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 162600 0 0 0 0 0 0 0 0 0 TIMING: 162600 CPU: 648.755, 0.00391657/step Wall: 648.755, 0.00391657/step, 2.54294 hours remaining, 110.390625 MB of memory in use. ENERGY: 162600 644.9686 1855.9542 1963.4719 111.4984 0.6374 -1084.0836 0.0000 0.0000 2622.8585 6115.3054 289.7020 3492.4469 6145.1203 294.3429 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: 649.54, 0.00392075/step Wall: 649.54, 0.00392075/step, 2.54544 hours remaining, 110.390625 MB of memory in use. ENERGY: 162800 642.6773 1851.0929 1951.7113 99.8359 -0.0221 -1081.4482 0.0000 0.0000 2653.9338 6117.7810 293.1344 3463.8472 6149.7779 294.8000 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: 650.324, 0.00392236/step Wall: 650.324, 0.00392236/step, 2.54627 hours remaining, 110.394531 MB of memory in use. ENERGY: 163000 643.6238 1795.3593 1964.9286 100.3746 -0.4244 -1042.5000 0.0000 0.0000 2705.3702 6166.7321 298.8157 3461.3619 6201.9616 296.3901 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: 651.108, 0.0039216/step Wall: 651.108, 0.0039216/step, 2.54555 hours remaining, 110.398438 MB of memory in use. ENERGY: 163200 669.1671 1862.6786 1942.2504 113.7307 -0.7561 -1086.9755 0.0000 0.0000 2685.2176 6185.3127 296.5898 3500.0951 6215.9637 297.9051 PRESSURE: 163400 0 0 0 0 0 0 0 0 0 GPRESSURE: 163400 0 0 0 0 0 0 0 0 0 PRESSAVG: 163400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163400 0 0 0 0 0 0 0 0 0 TIMING: 163400 CPU: 651.892, 0.00391634/step Wall: 651.892, 0.00391634/step, 2.54192 hours remaining, 110.398438 MB of memory in use. ENERGY: 163400 646.4066 1858.5616 1959.2651 119.0839 0.8022 -1070.3077 0.0000 0.0000 2702.7329 6216.5446 298.5244 3513.8116 6249.5994 300.3015 PRESSURE: 163600 0 0 0 0 0 0 0 0 0 GPRESSURE: 163600 0 0 0 0 0 0 0 0 0 PRESSAVG: 163600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 163600 0 0 0 0 0 0 0 0 0 TIMING: 163600 CPU: 652.676, 0.00392205/step Wall: 652.676, 0.00392205/step, 2.54541 hours remaining, 110.398438 MB of memory in use. ENERGY: 163600 646.3157 1843.3867 1949.3755 104.6612 2.1360 -1083.5041 0.0000 0.0000 2688.1310 6150.5020 296.9116 3462.3710 6185.3679 299.4970 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: 653.461, 0.00392233/step Wall: 653.461, 0.00392233/step, 2.54537 hours remaining, 110.398438 MB of memory in use. ENERGY: 163800 621.2664 1877.2390 1942.0291 114.4899 0.6629 -1082.3658 0.0000 0.0000 2744.3442 6217.6657 303.1205 3473.3215 6250.6397 297.0071 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: 654.245, 0.00392105/step Wall: 654.245, 0.00392105/step, 2.54433 hours remaining, 110.402344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 164000 689.4446 1806.9900 1957.6694 112.4445 1.0811 -1097.6355 0.0000 0.0000 2684.0552 6154.0494 296.4614 3469.9942 6187.0255 297.3251 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: 655.029, 0.00392198/step Wall: 655.029, 0.00392198/step, 2.54471 hours remaining, 110.402344 MB of memory in use. ENERGY: 164200 661.7494 1824.6425 1938.3748 99.4298 1.9691 -1086.5112 0.0000 0.0000 2696.1375 6135.7920 297.7959 3439.6545 6170.8600 296.6068 LDB: ============= START OF LOAD BALANCING ============== 657.73 LDB: ============== END OF LOAD BALANCING =============== 657.73 LDB: =============== DONE WITH MIGRATION ================ 657.73 LDB: ============= START OF LOAD BALANCING ============== 658.122 LDB: ============== END OF LOAD BALANCING =============== 658.122 LDB: =============== DONE WITH MIGRATION ================ 658.122 PRESSURE: 164400 0 0 0 0 0 0 0 0 0 GPRESSURE: 164400 0 0 0 0 0 0 0 0 0 PRESSAVG: 164400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164400 0 0 0 0 0 0 0 0 0 TIMING: 164400 CPU: 655.813, 0.00391901/step Wall: 655.813, 0.00391901/step, 2.54256 hours remaining, 110.406250 MB of memory in use. ENERGY: 164400 630.5136 1812.7203 1948.3632 109.3560 0.5942 -1082.6709 0.0000 0.0000 2732.0883 6150.9647 301.7668 3418.8764 6186.6631 297.6700 PRESSURE: 164600 0 0 0 0 0 0 0 0 0 GPRESSURE: 164600 0 0 0 0 0 0 0 0 0 PRESSAVG: 164600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 164600 0 0 0 0 0 0 0 0 0 TIMING: 164600 CPU: 656.597, 0.00392195/step Wall: 656.597, 0.00392195/step, 2.54426 hours remaining, 110.406250 MB of memory in use. ENERGY: 164600 659.1089 1771.1707 1940.7521 116.9239 -0.7034 -1067.7924 0.0000 0.0000 2664.1422 6083.6020 294.2619 3419.4598 6115.2015 295.2288 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: 657.381, 0.0039206/step Wall: 657.381, 0.0039206/step, 2.54316 hours remaining, 110.406250 MB of memory in use. ENERGY: 164800 644.7197 1846.1409 1964.2199 102.8713 1.9723 -1082.6210 0.0000 0.0000 2619.6521 6096.9552 289.3479 3477.3031 6126.3057 293.3794 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: 658.165, 0.00392007/step Wall: 658.165, 0.00392007/step, 2.5426 hours remaining, 110.406250 MB of memory in use. ENERGY: 165000 655.5957 1787.9499 1975.9132 105.0139 1.1835 -1072.9858 0.0000 0.0000 2647.5485 6100.2189 292.4291 3452.6704 6131.8920 293.6232 PRESSURE: 165200 0 0 0 0 0 0 0 0 0 GPRESSURE: 165200 0 0 0 0 0 0 0 0 0 PRESSAVG: 165200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165200 0 0 0 0 0 0 0 0 0 TIMING: 165200 CPU: 658.949, 0.00391686/step Wall: 658.949, 0.00391686/step, 2.5403 hours remaining, 110.406250 MB of memory in use. ENERGY: 165200 629.7950 1793.3295 1967.6829 107.9809 2.8260 -1082.5089 0.0000 0.0000 2669.7585 6088.8638 294.8823 3419.1053 6120.4924 292.5606 PRESSURE: 165400 0 0 0 0 0 0 0 0 0 GPRESSURE: 165400 0 0 0 0 0 0 0 0 0 PRESSAVG: 165400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165400 0 0 0 0 0 0 0 0 0 TIMING: 165400 CPU: 659.733, 0.00391941/step Wall: 659.733, 0.00391941/step, 2.54173 hours remaining, 110.410156 MB of memory in use. ENERGY: 165400 623.2114 1768.7574 1946.3259 109.4772 1.6179 -1088.5048 0.0000 0.0000 2652.4556 6013.3407 292.9711 3360.8851 6047.2021 290.2726 PRESSURE: 165600 0 0 0 0 0 0 0 0 0 GPRESSURE: 165600 0 0 0 0 0 0 0 0 0 PRESSAVG: 165600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 165600 0 0 0 0 0 0 0 0 0 TIMING: 165600 CPU: 660.517, 0.00391939/step Wall: 660.517, 0.00391939/step, 2.54151 hours remaining, 110.410156 MB of memory in use. ENERGY: 165600 617.4101 1811.5028 1960.0174 115.5220 0.8624 -1119.1373 0.0000 0.0000 2647.8130 6033.9904 292.4583 3386.1774 6070.3257 289.5000 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: 661.301, 0.00392056/step Wall: 661.301, 0.00392056/step, 2.54204 hours remaining, 110.410156 MB of memory in use. ENERGY: 165800 607.6788 1811.6346 1952.9474 113.6055 2.2823 -1125.8833 0.0000 0.0000 2664.6732 6026.9385 294.3206 3362.2653 6061.0996 290.7755 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: 662.085, 0.00392122/step Wall: 662.085, 0.00392122/step, 2.54226 hours remaining, 110.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 166000 673.3803 1820.4692 1960.3203 111.4709 2.2169 -1089.8453 0.0000 0.0000 2587.3849 6065.3972 285.7839 3478.0123 6094.4173 291.3948 PRESSURE: 166200 0 0 0 0 0 0 0 0 0 GPRESSURE: 166200 0 0 0 0 0 0 0 0 0 PRESSAVG: 166200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166200 0 0 0 0 0 0 0 0 0 TIMING: 166200 CPU: 662.869, 0.00391783/step Wall: 662.869, 0.00391783/step, 2.53985 hours remaining, 110.410156 MB of memory in use. ENERGY: 166200 634.1928 1832.7772 1938.1055 93.7209 1.7689 -1054.7424 0.0000 0.0000 2671.6237 6117.4466 295.0883 3445.8229 6151.7396 293.3227 PRESSURE: 166400 0 0 0 0 0 0 0 0 0 GPRESSURE: 166400 0 0 0 0 0 0 0 0 0 PRESSAVG: 166400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 166400 0 0 0 0 0 0 0 0 0 TIMING: 166400 CPU: 663.653, 0.00392279/step Wall: 663.653, 0.00392279/step, 2.54284 hours remaining, 110.410156 MB of memory in use. ENERGY: 166400 654.2767 1804.7458 1944.9585 106.4449 2.7658 -1055.6371 0.0000 0.0000 2724.6945 6182.2491 300.9501 3457.5546 6215.6960 295.8619 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: 664.442, 0.00394612/step Wall: 664.442, 0.00394612/step, 2.55775 hours remaining, 110.410156 MB of memory in use. ENERGY: 166600 680.3270 1841.6418 1933.1266 112.3628 2.4701 -1056.0719 0.0000 0.0000 2679.2900 6193.1463 295.9350 3513.8563 6225.2663 299.0026 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: 665.227, 0.00392343/step Wall: 665.227, 0.00392343/step, 2.54282 hours remaining, 110.410156 MB of memory in use. ENERGY: 166800 691.9110 1867.5739 1980.2642 106.1165 2.5197 -1096.5662 0.0000 0.0000 2665.3111 6217.1302 294.3910 3551.8191 6249.1112 299.4129 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: 666.012, 0.00392509/step Wall: 666.012, 0.00392509/step, 2.54368 hours remaining, 110.410156 MB of memory in use. ENERGY: 167000 643.1833 1854.0426 1955.1061 111.5049 2.8995 -1094.9930 0.0000 0.0000 2756.6833 6228.4267 304.4833 3471.7434 6263.9727 300.5441 PRESSURE: 167200 0 0 0 0 0 0 0 0 0 GPRESSURE: 167200 0 0 0 0 0 0 0 0 0 PRESSAVG: 167200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167200 0 0 0 0 0 0 0 0 0 TIMING: 167200 CPU: 666.796, 0.00391843/step Wall: 666.796, 0.00391843/step, 2.53914 hours remaining, 110.410156 MB of memory in use. ENERGY: 167200 642.9039 1894.1350 1982.5113 115.0758 2.1173 -1104.0484 0.0000 0.0000 2720.5973 6253.2923 300.4976 3532.6950 6287.8349 301.5665 PRESSURE: 167400 0 0 0 0 0 0 0 0 0 GPRESSURE: 167400 0 0 0 0 0 0 0 0 0 PRESSAVG: 167400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 167400 0 0 0 0 0 0 0 0 0 TIMING: 167400 CPU: 667.58, 0.00392183/step Wall: 667.58, 0.00392183/step, 2.54113 hours remaining, 110.410156 MB of memory in use. ENERGY: 167400 631.1768 1852.5282 2008.7437 107.1953 4.1818 -1072.2810 0.0000 0.0000 2712.9840 6244.5289 299.6566 3531.5449 6279.2126 300.4989 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: 668.365, 0.00392405/step Wall: 668.365, 0.00392405/step, 2.54235 hours remaining, 110.410156 MB of memory in use. ENERGY: 167600 653.3788 1839.5679 1974.4308 113.7540 3.6932 -1059.5045 0.0000 0.0000 2756.4779 6281.7982 304.4607 3525.3203 6315.9739 301.7484 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: 669.149, 0.00392194/step Wall: 669.149, 0.00392194/step, 2.54076 hours remaining, 110.410156 MB of memory in use. ENERGY: 167800 650.4657 1815.4413 1975.3036 112.3883 3.2452 -1106.6313 0.0000 0.0000 2799.2997 6249.5124 309.1904 3450.2128 6285.6713 302.2933 PRESSURE: 168000 0 0 0 0 0 0 0 0 0 GPRESSURE: 168000 0 0 0 0 0 0 0 0 0 PRESSAVG: 168000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168000 0 0 0 0 0 0 0 0 0 TIMING: 168000 CPU: 669.932, 0.00391564/step Wall: 669.932, 0.00391564/step, 2.53646 hours remaining, 110.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 168000 645.2510 1853.7943 1963.7214 110.7909 4.7747 -1078.7284 0.0000 0.0000 2727.5323 6227.1362 301.2635 3499.6039 6257.9900 301.1886 PRESSURE: 168200 0 0 0 0 0 0 0 0 0 GPRESSURE: 168200 0 0 0 0 0 0 0 0 0 PRESSAVG: 168200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168200 0 0 0 0 0 0 0 0 0 TIMING: 168200 CPU: 670.716, 0.0039196/step Wall: 670.716, 0.0039196/step, 2.53881 hours remaining, 110.410156 MB of memory in use. ENERGY: 168200 669.7724 1855.7927 1931.6480 99.4514 2.8115 -1074.2866 0.0000 0.0000 2700.7424 6185.9318 298.3045 3485.1894 6218.5243 299.7099 LDB: ============= START OF LOAD BALANCING ============== 673.418 LDB: ============== END OF LOAD BALANCING =============== 673.418 LDB: =============== DONE WITH MIGRATION ================ 673.418 LDB: ============= START OF LOAD BALANCING ============== 673.81 LDB: ============== END OF LOAD BALANCING =============== 673.81 LDB: =============== DONE WITH MIGRATION ================ 673.81 PRESSURE: 168400 0 0 0 0 0 0 0 0 0 GPRESSURE: 168400 0 0 0 0 0 0 0 0 0 PRESSAVG: 168400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 168400 0 0 0 0 0 0 0 0 0 TIMING: 168400 CPU: 671.501, 0.00392338/step Wall: 671.501, 0.00392338/step, 2.54104 hours remaining, 110.414062 MB of memory in use. ENERGY: 168400 613.2451 1858.8080 1943.0799 101.2609 3.3067 -1052.3942 0.0000 0.0000 2685.6997 6153.0060 296.6430 3467.3063 6184.3742 297.4178 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: 672.285, 0.00392036/step Wall: 672.285, 0.00392036/step, 2.53887 hours remaining, 110.414062 MB of memory in use. ENERGY: 168600 652.7771 1846.4242 1957.1202 103.0785 1.9445 -1079.8024 0.0000 0.0000 2716.4637 6198.0058 300.0410 3481.5420 6231.7559 298.6790 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: 673.069, 0.00392208/step Wall: 673.069, 0.00392208/step, 2.53976 hours remaining, 110.414062 MB of memory in use. ENERGY: 168800 625.0614 1876.9221 1979.8973 122.0681 2.9411 -1040.7296 0.0000 0.0000 2638.3903 6204.5508 291.4176 3566.1605 6235.8253 298.3629 PRESSURE: 169000 0 0 0 0 0 0 0 0 0 GPRESSURE: 169000 0 0 0 0 0 0 0 0 0 PRESSAVG: 169000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169000 0 0 0 0 0 0 0 0 0 TIMING: 169000 CPU: 673.853, 0.00391834/step Wall: 673.853, 0.00391834/step, 2.53713 hours remaining, 110.414062 MB of memory in use. ENERGY: 169000 626.6717 1793.3812 1971.3907 103.8566 3.5467 -1104.7581 0.0000 0.0000 2732.0519 6126.1407 301.7627 3394.0888 6161.7134 297.5380 PRESSURE: 169200 0 0 0 0 0 0 0 0 0 GPRESSURE: 169200 0 0 0 0 0 0 0 0 0 PRESSAVG: 169200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169200 0 0 0 0 0 0 0 0 0 TIMING: 169200 CPU: 674.638, 0.00392256/step Wall: 674.638, 0.00392256/step, 2.53964 hours remaining, 110.414062 MB of memory in use. ENERGY: 169200 675.4847 1795.5526 1960.8595 92.0205 3.2799 -1085.2197 0.0000 0.0000 2647.8804 6089.8578 292.4658 3441.9774 6122.7008 294.5956 PRESSURE: 169400 0 0 0 0 0 0 0 0 0 GPRESSURE: 169400 0 0 0 0 0 0 0 0 0 PRESSAVG: 169400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169400 0 0 0 0 0 0 0 0 0 TIMING: 169400 CPU: 675.422, 0.00392018/step Wall: 675.422, 0.00392018/step, 2.53788 hours remaining, 110.414062 MB of memory in use. ENERGY: 169400 651.7581 1784.4272 1969.8340 104.4300 2.8348 -1085.1270 0.0000 0.0000 2708.5540 6136.7110 299.1673 3428.1571 6172.1976 293.5850 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: 676.208, 0.00393017/step Wall: 676.208, 0.00393016/step, 2.54412 hours remaining, 110.414062 MB of memory in use. ENERGY: 169600 645.1984 1789.3480 1976.5467 103.8662 3.1478 -1109.6738 0.0000 0.0000 2686.0991 6094.5323 296.6871 3408.4332 6128.5565 294.9165 PRESSURE: 169800 0 0 0 0 0 0 0 0 0 GPRESSURE: 169800 0 0 0 0 0 0 0 0 0 PRESSAVG: 169800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 169800 0 0 0 0 0 0 0 0 0 TIMING: 169800 CPU: 676.991, 0.00391847/step Wall: 676.991, 0.00391848/step, 2.53635 hours remaining, 110.414062 MB of memory in use. ENERGY: 169800 634.3988 1823.3358 1926.2569 110.8222 2.5482 -1076.0026 0.0000 0.0000 2668.7955 6090.1548 294.7759 3421.3593 6121.0447 294.2970 PRESSURE: 170000 0 0 0 0 0 0 0 0 0 GPRESSURE: 170000 0 0 0 0 0 0 0 0 0 PRESSAVG: 170000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170000 0 0 0 0 0 0 0 0 0 TIMING: 170000 CPU: 677.776, 0.00392308/step Wall: 677.776, 0.00392308/step, 2.5391 hours remaining, 110.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 170000 652.8034 1795.6620 1928.6237 111.3255 2.6578 -1081.3956 0.0000 0.0000 2683.8582 6093.5350 296.4396 3409.6768 6125.9939 293.0093 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 170000 WRITING COORDINATES TO DCD FILE MD.1.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: 678.593, 0.0040836/step Wall: 678.593, 0.0040836/step, 2.64277 hours remaining, 110.554688 MB of memory in use. ENERGY: 170200 662.9890 1776.0795 1956.5624 98.5694 4.2113 -1068.4876 0.0000 0.0000 2697.3175 6127.2413 297.9262 3429.9239 6159.0212 293.4724 PRESSURE: 170400 0 0 0 0 0 0 0 0 0 GPRESSURE: 170400 0 0 0 0 0 0 0 0 0 PRESSAVG: 170400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170400 0 0 0 0 0 0 0 0 0 TIMING: 170400 CPU: 679.377, 0.00392167/step Wall: 679.377, 0.00392167/step, 2.53776 hours remaining, 110.554688 MB of memory in use. ENERGY: 170400 666.1778 1795.5726 1936.5561 104.1588 3.3476 -1095.5975 0.0000 0.0000 2738.1645 6148.3799 302.4379 3410.2154 6181.9136 296.0561 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: 680.161, 0.00392088/step Wall: 680.161, 0.00392088/step, 2.53703 hours remaining, 110.554688 MB of memory in use. ENERGY: 170600 642.0531 1804.1645 1974.3392 97.8784 1.5419 -1061.3787 0.0000 0.0000 2591.7212 6050.3197 286.2628 3458.5985 6081.5505 292.4588 PRESSURE: 170800 0 0 0 0 0 0 0 0 0 GPRESSURE: 170800 0 0 0 0 0 0 0 0 0 PRESSAVG: 170800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 170800 0 0 0 0 0 0 0 0 0 TIMING: 170800 CPU: 680.945, 0.00391704/step Wall: 680.945, 0.00391704/step, 2.53432 hours remaining, 110.554688 MB of memory in use. ENERGY: 170800 621.1099 1787.6172 1973.1213 108.6268 3.9292 -1052.1492 0.0000 0.0000 2612.8847 6055.1399 288.6004 3442.2552 6084.2193 291.0710 PRESSURE: 171000 0 0 0 0 0 0 0 0 0 GPRESSURE: 171000 0 0 0 0 0 0 0 0 0 PRESSAVG: 171000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171000 0 0 0 0 0 0 0 0 0 TIMING: 171000 CPU: 681.729, 0.00392187/step Wall: 681.729, 0.00392187/step, 2.53723 hours remaining, 110.554688 MB of memory in use. ENERGY: 171000 638.2920 1807.3668 1940.4359 110.7049 2.6193 -1062.4872 0.0000 0.0000 2641.3650 6078.2967 291.7461 3436.9316 6110.5376 292.1364 PRESSURE: 171200 0 0 0 0 0 0 0 0 0 GPRESSURE: 171200 0 0 0 0 0 0 0 0 0 PRESSAVG: 171200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171200 0 0 0 0 0 0 0 0 0 TIMING: 171200 CPU: 682.514, 0.00392338/step Wall: 682.514, 0.00392338/step, 2.53799 hours remaining, 110.554688 MB of memory in use. ENERGY: 171200 636.0569 1877.6813 1957.4416 116.8564 2.1647 -1083.5679 0.0000 0.0000 2568.1979 6074.8308 283.6646 3506.6329 6103.8533 291.8498 PRESSURE: 171400 0 0 0 0 0 0 0 0 0 GPRESSURE: 171400 0 0 0 0 0 0 0 0 0 PRESSAVG: 171400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171400 0 0 0 0 0 0 0 0 0 TIMING: 171400 CPU: 683.298, 0.00392108/step Wall: 683.298, 0.00392108/step, 2.53629 hours remaining, 110.554688 MB of memory in use. ENERGY: 171400 641.0552 1830.3468 1964.9095 107.1948 3.4532 -1098.6861 0.0000 0.0000 2696.4421 6144.7155 297.8295 3448.2734 6178.9261 293.9738 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: 684.082, 0.00392187/step Wall: 684.082, 0.00392187/step, 2.53658 hours remaining, 110.554688 MB of memory in use. ENERGY: 171600 645.4499 1796.4208 1960.9394 100.7171 3.4644 -1068.4652 0.0000 0.0000 2658.2952 6096.8216 293.6161 3438.5264 6131.0093 294.4970 PRESSURE: 171800 0 0 0 0 0 0 0 0 0 GPRESSURE: 171800 0 0 0 0 0 0 0 0 0 PRESSAVG: 171800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 171800 0 0 0 0 0 0 0 0 0 TIMING: 171800 CPU: 684.866, 0.00391831/step Wall: 684.866, 0.00391831/step, 2.53406 hours remaining, 110.554688 MB of memory in use. ENERGY: 171800 637.8655 1832.9365 1929.8485 116.2436 2.1148 -1061.1076 0.0000 0.0000 2661.4925 6119.3938 293.9693 3457.9013 6150.9393 294.9253 PRESSURE: 172000 0 0 0 0 0 0 0 0 0 GPRESSURE: 172000 0 0 0 0 0 0 0 0 0 PRESSAVG: 172000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172000 0 0 0 0 0 0 0 0 0 TIMING: 172000 CPU: 685.65, 0.00392202/step Wall: 685.65, 0.00392202/step, 2.53624 hours remaining, 110.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 172000 648.8186 1823.6448 1921.2942 101.5326 3.4455 -1061.8418 0.0000 0.0000 2717.6648 6154.5586 300.1736 3436.8939 6190.9841 294.9495 PRESSURE: 172200 0 0 0 0 0 0 0 0 0 GPRESSURE: 172200 0 0 0 0 0 0 0 0 0 PRESSAVG: 172200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172200 0 0 0 0 0 0 0 0 0 TIMING: 172200 CPU: 686.436, 0.00392558/step Wall: 686.436, 0.00392558/step, 2.53832 hours remaining, 110.554688 MB of memory in use. ENERGY: 172200 684.8351 1814.5813 1972.5416 110.8454 2.0440 -1092.4144 0.0000 0.0000 2668.9360 6161.3689 294.7914 3492.4329 6194.6991 296.5600 LDB: ============= START OF LOAD BALANCING ============== 689.136 LDB: ============== END OF LOAD BALANCING =============== 689.136 LDB: =============== DONE WITH MIGRATION ================ 689.137 LDB: ============= START OF LOAD BALANCING ============== 689.53 LDB: ============== END OF LOAD BALANCING =============== 689.53 LDB: =============== DONE WITH MIGRATION ================ 689.53 PRESSURE: 172400 0 0 0 0 0 0 0 0 0 GPRESSURE: 172400 0 0 0 0 0 0 0 0 0 PRESSAVG: 172400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172400 0 0 0 0 0 0 0 0 0 TIMING: 172400 CPU: 687.221, 0.00392746/step Wall: 687.221, 0.00392746/step, 2.53932 hours remaining, 110.554688 MB of memory in use. ENERGY: 172400 679.5842 1829.8651 1960.7429 109.9573 2.1711 -1103.5489 0.0000 0.0000 2723.2930 6202.0646 300.7953 3478.7717 6236.4458 298.5101 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: 688.004, 0.00391741/step Wall: 688.004, 0.00391741/step, 2.53261 hours remaining, 110.554688 MB of memory in use. ENERGY: 172600 677.8371 1831.3365 1985.3731 100.9278 2.0545 -1047.1904 0.0000 0.0000 2663.2464 6213.5850 294.1630 3550.3386 6245.6544 298.3471 PRESSURE: 172800 0 0 0 0 0 0 0 0 0 GPRESSURE: 172800 0 0 0 0 0 0 0 0 0 PRESSAVG: 172800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 172800 0 0 0 0 0 0 0 0 0 TIMING: 172800 CPU: 688.789, 0.00392412/step Wall: 688.789, 0.00392412/step, 2.53673 hours remaining, 110.554688 MB of memory in use. ENERGY: 172800 657.0380 1827.2332 1967.0631 118.1600 3.2652 -1049.2841 0.0000 0.0000 2714.8567 6238.3320 299.8635 3523.4754 6271.6986 300.2662 PRESSURE: 173000 0 0 0 0 0 0 0 0 0 GPRESSURE: 173000 0 0 0 0 0 0 0 0 0 PRESSAVG: 173000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173000 0 0 0 0 0 0 0 0 0 TIMING: 173000 CPU: 689.574, 0.00392194/step Wall: 689.574, 0.00392194/step, 2.5351 hours remaining, 110.554688 MB of memory in use. ENERGY: 173000 667.1914 1845.8316 1970.9332 112.1271 3.1445 -1077.2219 0.0000 0.0000 2724.6771 6246.6832 300.9482 3522.0061 6277.6600 300.0681 PRESSURE: 173200 0 0 0 0 0 0 0 0 0 GPRESSURE: 173200 0 0 0 0 0 0 0 0 0 PRESSAVG: 173200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173200 0 0 0 0 0 0 0 0 0 TIMING: 173200 CPU: 690.358, 0.00392194/step Wall: 690.358, 0.00392194/step, 2.53488 hours remaining, 110.554688 MB of memory in use. ENERGY: 173200 628.9894 1841.6234 1978.9514 100.9179 1.9254 -1075.8635 0.0000 0.0000 2764.4666 6241.0107 305.3430 3476.5441 6276.0435 300.2422 PRESSURE: 173400 0 0 0 0 0 0 0 0 0 GPRESSURE: 173400 0 0 0 0 0 0 0 0 0 PRESSAVG: 173400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173400 0 0 0 0 0 0 0 0 0 TIMING: 173400 CPU: 691.143, 0.00392294/step Wall: 691.143, 0.00392294/step, 2.53531 hours remaining, 110.554688 MB of memory in use. ENERGY: 173400 611.1630 1870.4832 1968.8422 125.7854 2.1769 -1053.1118 0.0000 0.0000 2675.0251 6200.3641 295.4640 3525.3389 6232.0543 301.4893 PRESSURE: 173600 0 0 0 0 0 0 0 0 0 GPRESSURE: 173600 0 0 0 0 0 0 0 0 0 PRESSAVG: 173600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173600 0 0 0 0 0 0 0 0 0 TIMING: 173600 CPU: 691.926, 0.00391766/step Wall: 691.926, 0.00391766/step, 2.53168 hours remaining, 110.554688 MB of memory in use. ENERGY: 173600 615.1806 1896.5867 1965.6396 102.1845 0.7999 -1038.7258 0.0000 0.0000 2685.3168 6226.9823 296.6007 3541.6655 6257.3460 299.6962 PRESSURE: 173800 0 0 0 0 0 0 0 0 0 GPRESSURE: 173800 0 0 0 0 0 0 0 0 0 PRESSAVG: 173800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 173800 0 0 0 0 0 0 0 0 0 TIMING: 173800 CPU: 692.711, 0.00392314/step Wall: 692.711, 0.00392314/step, 2.53501 hours remaining, 110.554688 MB of memory in use. ENERGY: 173800 641.1708 1858.8409 1926.4798 99.9189 1.4924 -1063.5048 0.0000 0.0000 2762.3097 6226.7077 305.1048 3464.3981 6261.1590 298.8641 PRESSURE: 174000 0 0 0 0 0 0 0 0 0 GPRESSURE: 174000 0 0 0 0 0 0 0 0 0 PRESSAVG: 174000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174000 0 0 0 0 0 0 0 0 0 TIMING: 174000 CPU: 693.495, 0.00392104/step Wall: 693.495, 0.00392103/step, 2.53342 hours remaining, 110.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 174000 637.1544 1839.0314 1919.4480 111.1185 1.4018 -1054.0253 0.0000 0.0000 2706.0344 6160.1631 298.8890 3454.1287 6195.1484 298.2534 PRESSURE: 174200 0 0 0 0 0 0 0 0 0 GPRESSURE: 174200 0 0 0 0 0 0 0 0 0 PRESSAVG: 174200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174200 0 0 0 0 0 0 0 0 0 TIMING: 174200 CPU: 694.279, 0.00392189/step Wall: 694.279, 0.0039219/step, 2.53376 hours remaining, 110.554688 MB of memory in use. ENERGY: 174200 659.5988 1793.1762 1943.8428 107.0252 1.3442 -1090.2841 0.0000 0.0000 2725.1835 6139.8866 301.0041 3414.7031 6174.0265 294.9919 PRESSURE: 174400 0 0 0 0 0 0 0 0 0 GPRESSURE: 174400 0 0 0 0 0 0 0 0 0 PRESSAVG: 174400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174400 0 0 0 0 0 0 0 0 0 TIMING: 174400 CPU: 695.064, 0.0039221/step Wall: 695.064, 0.0039221/step, 2.53368 hours remaining, 110.554688 MB of memory in use. ENERGY: 174400 692.4108 1846.8954 1950.9392 109.8195 1.5022 -1106.8946 0.0000 0.0000 2643.9817 6138.6543 292.0351 3494.6725 6166.5039 295.4260 PRESSURE: 174600 0 0 0 0 0 0 0 0 0 GPRESSURE: 174600 0 0 0 0 0 0 0 0 0 PRESSAVG: 174600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174600 0 0 0 0 0 0 0 0 0 TIMING: 174600 CPU: 695.847, 0.00391621/step Wall: 695.847, 0.00391621/step, 2.52965 hours remaining, 110.554688 MB of memory in use. ENERGY: 174600 653.1528 1883.6698 1950.2535 112.4837 3.0930 -1097.3053 0.0000 0.0000 2658.2069 6163.5544 293.6064 3505.3475 6197.6993 295.5391 PRESSURE: 174800 0 0 0 0 0 0 0 0 0 GPRESSURE: 174800 0 0 0 0 0 0 0 0 0 PRESSAVG: 174800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 174800 0 0 0 0 0 0 0 0 0 TIMING: 174800 CPU: 696.631, 0.00392119/step Wall: 696.631, 0.00392119/step, 2.53265 hours remaining, 110.554688 MB of memory in use. ENERGY: 174800 630.6108 1850.9602 1944.8846 107.9170 3.5189 -1065.7747 0.0000 0.0000 2727.3643 6199.4810 301.2450 3472.1167 6232.7875 296.8908 PRESSURE: 175000 0 0 0 0 0 0 0 0 0 GPRESSURE: 175000 0 0 0 0 0 0 0 0 0 PRESSAVG: 175000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175000 0 0 0 0 0 0 0 0 0 TIMING: 175000 CPU: 697.416, 0.0039213/step Wall: 697.416, 0.0039213/step, 2.5325 hours remaining, 110.554688 MB of memory in use. ENERGY: 175000 634.2157 1827.8779 1926.0723 108.0399 1.3639 -1050.5764 0.0000 0.0000 2697.8409 6144.8343 297.9840 3446.9933 6177.4227 295.7288 PRESSURE: 175200 0 0 0 0 0 0 0 0 0 GPRESSURE: 175200 0 0 0 0 0 0 0 0 0 PRESSAVG: 175200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175200 0 0 0 0 0 0 0 0 0 TIMING: 175200 CPU: 698.2, 0.00392029/step Wall: 698.2, 0.00392029/step, 2.53164 hours remaining, 110.554688 MB of memory in use. ENERGY: 175200 643.4608 1829.7411 1958.1851 108.1820 -0.0205 -1052.3210 0.0000 0.0000 2698.3138 6185.5413 298.0363 3487.2274 6218.3895 296.4659 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: 698.983, 0.00391639/step Wall: 698.983, 0.00391639/step, 2.5289 hours remaining, 110.554688 MB of memory in use. ENERGY: 175400 666.2328 1879.0937 1929.5374 108.8643 2.6134 -1069.1960 0.0000 0.0000 2677.2937 6194.4392 295.7145 3517.1456 6227.2457 297.4335 PRESSURE: 175600 0 0 0 0 0 0 0 0 0 GPRESSURE: 175600 0 0 0 0 0 0 0 0 0 PRESSAVG: 175600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175600 0 0 0 0 0 0 0 0 0 TIMING: 175600 CPU: 699.767, 0.00392204/step Wall: 699.767, 0.00392204/step, 2.53233 hours remaining, 110.554688 MB of memory in use. ENERGY: 175600 632.2783 1868.9162 1931.7581 101.7872 2.1404 -1103.3236 0.0000 0.0000 2730.9866 6164.5431 301.6451 3433.5566 6196.8916 299.1703 PRESSURE: 175800 0 0 0 0 0 0 0 0 0 GPRESSURE: 175800 0 0 0 0 0 0 0 0 0 PRESSAVG: 175800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 175800 0 0 0 0 0 0 0 0 0 TIMING: 175800 CPU: 700.552, 0.0039239/step Wall: 700.552, 0.0039239/step, 2.53332 hours remaining, 110.554688 MB of memory in use. ENERGY: 175800 658.8908 1845.2099 1957.9706 111.1314 3.1717 -1068.5965 0.0000 0.0000 2677.3457 6185.1234 295.7203 3507.7778 6217.7961 297.2856 PRESSURE: 176000 0 0 0 0 0 0 0 0 0 GPRESSURE: 176000 0 0 0 0 0 0 0 0 0 PRESSAVG: 176000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176000 0 0 0 0 0 0 0 0 0 TIMING: 176000 CPU: 701.337, 0.00392431/step Wall: 701.337, 0.00392431/step, 2.53336 hours remaining, 110.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 176000 683.1456 1844.0816 1931.4257 100.6910 1.9815 -1067.7356 0.0000 0.0000 2669.5253 6163.1153 294.8565 3493.5900 6194.7945 296.0081 PRESSURE: 176200 0 0 0 0 0 0 0 0 0 GPRESSURE: 176200 0 0 0 0 0 0 0 0 0 PRESSAVG: 176200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176200 0 0 0 0 0 0 0 0 0 TIMING: 176200 CPU: 702.121, 0.0039213/step Wall: 702.121, 0.0039213/step, 2.5312 hours remaining, 110.554688 MB of memory in use. ENERGY: 176200 637.0978 1836.1879 1953.7861 102.3504 1.5388 -1058.7145 0.0000 0.0000 2667.7416 6139.9880 294.6595 3472.2464 6173.6387 295.5872 LDB: ============= START OF LOAD BALANCING ============== 704.822 LDB: ============== END OF LOAD BALANCING =============== 704.822 LDB: =============== DONE WITH MIGRATION ================ 704.822 LDB: ============= START OF LOAD BALANCING ============== 705.214 LDB: ============== END OF LOAD BALANCING =============== 705.214 LDB: =============== DONE WITH MIGRATION ================ 705.214 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: 702.905, 0.00392103/step Wall: 702.905, 0.00392103/step, 2.53081 hours remaining, 110.554688 MB of memory in use. ENERGY: 176400 657.6706 1893.3215 1957.7838 118.0634 1.9745 -1103.2396 0.0000 0.0000 2651.6361 6177.2104 292.8806 3525.5743 6209.8688 296.0798 PRESSURE: 176600 0 0 0 0 0 0 0 0 0 GPRESSURE: 176600 0 0 0 0 0 0 0 0 0 PRESSAVG: 176600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176600 0 0 0 0 0 0 0 0 0 TIMING: 176600 CPU: 703.69, 0.00392367/step Wall: 703.69, 0.00392367/step, 2.53229 hours remaining, 110.554688 MB of memory in use. ENERGY: 176600 659.2776 1873.5486 1949.9483 104.4321 0.4854 -1070.5193 0.0000 0.0000 2655.6322 6172.8049 293.3220 3517.1727 6205.7826 296.6502 PRESSURE: 176800 0 0 0 0 0 0 0 0 0 GPRESSURE: 176800 0 0 0 0 0 0 0 0 0 PRESSAVG: 176800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 176800 0 0 0 0 0 0 0 0 0 TIMING: 176800 CPU: 704.475, 0.00392272/step Wall: 704.475, 0.00392271/step, 2.53146 hours remaining, 110.554688 MB of memory in use. ENERGY: 176800 660.6870 1848.1616 1943.5008 112.6394 1.7481 -1076.8335 0.0000 0.0000 2709.3819 6199.2853 299.2588 3489.9035 6231.0824 297.7768 PRESSURE: 177000 0 0 0 0 0 0 0 0 0 GPRESSURE: 177000 0 0 0 0 0 0 0 0 0 PRESSAVG: 177000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177000 0 0 0 0 0 0 0 0 0 TIMING: 177000 CPU: 705.259, 0.00392005/step Wall: 705.259, 0.00392005/step, 2.52952 hours remaining, 110.554688 MB of memory in use. ENERGY: 177000 612.0742 1911.4624 1963.9755 108.9802 1.7749 -1085.1040 0.0000 0.0000 2666.0967 6179.2600 294.4778 3513.1633 6208.6000 300.3924 PRESSURE: 177200 0 0 0 0 0 0 0 0 0 GPRESSURE: 177200 0 0 0 0 0 0 0 0 0 PRESSAVG: 177200 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177200 0 0 0 0 0 0 0 0 0 TIMING: 177200 CPU: 706.042, 0.00391443/step Wall: 706.042, 0.00391443/step, 2.52568 hours remaining, 110.554688 MB of memory in use. ENERGY: 177200 663.5775 1851.0604 1956.9347 103.8627 1.6490 -1066.5479 0.0000 0.0000 2735.7771 6246.3135 302.1742 3510.5364 6278.2788 298.9781 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: 706.826, 0.00392092/step Wall: 706.826, 0.00392092/step, 2.52964 hours remaining, 110.554688 MB of memory in use. ENERGY: 177400 636.5159 1838.7585 1966.1847 108.5718 1.9178 -1030.8887 0.0000 0.0000 2797.7606 6318.8206 309.0204 3521.0600 6352.4172 301.5751 PRESSURE: 177600 0 0 0 0 0 0 0 0 0 GPRESSURE: 177600 0 0 0 0 0 0 0 0 0 PRESSAVG: 177600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177600 0 0 0 0 0 0 0 0 0 TIMING: 177600 CPU: 707.609, 0.00391817/step Wall: 707.609, 0.00391817/step, 2.52765 hours remaining, 110.554688 MB of memory in use. ENERGY: 177600 680.1378 1914.7045 1967.1579 105.5269 2.3247 -1055.9906 0.0000 0.0000 2727.9662 6341.8274 301.3115 3613.8612 6373.4658 305.2920 PRESSURE: 177800 0 0 0 0 0 0 0 0 0 GPRESSURE: 177800 0 0 0 0 0 0 0 0 0 PRESSAVG: 177800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 177800 0 0 0 0 0 0 0 0 0 TIMING: 177800 CPU: 708.394, 0.00392112/step Wall: 708.394, 0.00392112/step, 2.52934 hours remaining, 110.554688 MB of memory in use. ENERGY: 177800 669.2633 1841.1441 1921.9512 106.2495 3.1704 -1015.4019 0.0000 0.0000 2739.5245 6265.9011 302.5881 3526.3766 6300.6257 303.8860 PRESSURE: 178000 0 0 0 0 0 0 0 0 0 GPRESSURE: 178000 0 0 0 0 0 0 0 0 0 PRESSAVG: 178000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178000 0 0 0 0 0 0 0 0 0 TIMING: 178000 CPU: 709.178, 0.00392048/step Wall: 709.178, 0.00392048/step, 2.52871 hours remaining, 110.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 178000 640.0307 1867.1772 1934.2865 120.1613 2.8325 -1022.3653 0.0000 0.0000 2705.1196 6247.2424 298.7880 3542.1227 6279.5865 301.3241 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: 709.961, 0.00391593/step Wall: 709.961, 0.00391593/step, 2.52556 hours remaining, 110.554688 MB of memory in use. ENERGY: 178200 648.4362 1843.9356 1948.8510 108.4393 2.8120 -1063.6824 0.0000 0.0000 2706.4898 6195.2816 298.9393 3488.7918 6226.4936 298.6917 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: 710.745, 0.00392238/step Wall: 710.745, 0.00392238/step, 2.5295 hours remaining, 110.554688 MB of memory in use. ENERGY: 178400 633.9789 1879.6564 1979.4885 110.2052 2.4870 -1076.7308 0.0000 0.0000 2740.8212 6269.9064 302.7313 3529.0852 6301.6948 301.7125 PRESSURE: 178600 0 0 0 0 0 0 0 0 0 GPRESSURE: 178600 0 0 0 0 0 0 0 0 0 PRESSAVG: 178600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178600 0 0 0 0 0 0 0 0 0 TIMING: 178600 CPU: 711.53, 0.00392205/step Wall: 711.53, 0.00392205/step, 2.52907 hours remaining, 110.554688 MB of memory in use. ENERGY: 178600 691.0470 1863.8324 1973.5104 119.3095 2.0028 -1098.0136 0.0000 0.0000 2714.5068 6266.1952 299.8248 3551.6885 6297.6329 300.9449 PRESSURE: 178800 0 0 0 0 0 0 0 0 0 GPRESSURE: 178800 0 0 0 0 0 0 0 0 0 PRESSAVG: 178800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 178800 0 0 0 0 0 0 0 0 0 TIMING: 178800 CPU: 712.314, 0.003923/step Wall: 712.314, 0.003923/step, 2.52947 hours remaining, 110.554688 MB of memory in use. ENERGY: 178800 646.7394 1864.0007 1969.1446 96.7394 1.4848 -1095.2245 0.0000 0.0000 2790.2316 6273.1158 308.1888 3482.8843 6306.8528 302.6987 PRESSURE: 179000 0 0 0 0 0 0 0 0 0 GPRESSURE: 179000 0 0 0 0 0 0 0 0 0 PRESSAVG: 179000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179000 0 0 0 0 0 0 0 0 0 TIMING: 179000 CPU: 713.099, 0.00392174/step Wall: 713.099, 0.00392174/step, 2.52843 hours remaining, 110.554688 MB of memory in use. ENERGY: 179000 680.3767 1903.1450 1964.7616 114.9572 2.3976 -1093.1544 0.0000 0.0000 2718.7596 6291.2433 300.2946 3572.4838 6325.9606 305.0092 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: 713.882, 0.00391683/step Wall: 713.882, 0.00391683/step, 2.52505 hours remaining, 110.554688 MB of memory in use. ENERGY: 179200 664.0283 1805.3085 1975.3526 108.6578 1.8017 -1055.3662 0.0000 0.0000 2747.4795 6247.2622 303.4668 3499.7826 6282.3469 302.8719 PRESSURE: 179400 0 0 0 0 0 0 0 0 0 GPRESSURE: 179400 0 0 0 0 0 0 0 0 0 PRESSAVG: 179400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179400 0 0 0 0 0 0 0 0 0 TIMING: 179400 CPU: 714.666, 0.00392151/step Wall: 714.666, 0.00392151/step, 2.52785 hours remaining, 110.554688 MB of memory in use. ENERGY: 179400 652.9666 1849.6483 1995.2570 120.0063 2.2789 -1086.4773 0.0000 0.0000 2686.0411 6219.7208 296.6807 3533.6797 6252.6221 300.3021 PRESSURE: 179600 0 0 0 0 0 0 0 0 0 GPRESSURE: 179600 0 0 0 0 0 0 0 0 0 PRESSAVG: 179600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179600 0 0 0 0 0 0 0 0 0 TIMING: 179600 CPU: 715.451, 0.00392169/step Wall: 715.451, 0.00392169/step, 2.52775 hours remaining, 110.554688 MB of memory in use. ENERGY: 179600 645.0091 1829.6490 1953.7161 113.4781 1.4537 -1061.5060 0.0000 0.0000 2648.2780 6130.0781 292.5097 3481.8000 6163.3625 295.7290 PRESSURE: 179800 0 0 0 0 0 0 0 0 0 GPRESSURE: 179800 0 0 0 0 0 0 0 0 0 PRESSAVG: 179800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 179800 0 0 0 0 0 0 0 0 0 TIMING: 179800 CPU: 716.237, 0.00392982/step Wall: 716.237, 0.00392982/step, 2.53277 hours remaining, 110.554688 MB of memory in use. ENERGY: 179800 653.4802 1794.6985 1978.8147 105.3008 0.4884 -1076.1798 0.0000 0.0000 2685.8500 6142.4528 296.6596 3456.6027 6177.5806 295.3765 PRESSURE: 180000 0 0 0 0 0 0 0 0 0 GPRESSURE: 180000 0 0 0 0 0 0 0 0 0 PRESSAVG: 180000 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180000 0 0 0 0 0 0 0 0 0 TIMING: 180000 CPU: 717.02, 0.00391567/step Wall: 717.02, 0.00391567/step, 2.52343 hours remaining, 110.554688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 180000 634.7668 1794.9503 1980.0909 86.8838 0.6034 -1075.4510 0.0000 0.0000 2753.8063 6175.6505 304.1656 3421.8442 6208.0878 296.7519 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 180000 WRITING COORDINATES TO DCD FILE MD.1.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: 717.852, 0.00416181/step Wall: 717.852, 0.00416181/step, 2.68183 hours remaining, 110.554688 MB of memory in use. ENERGY: 180200 670.0483 1895.9901 1964.2355 115.4163 0.7967 -1117.6811 0.0000 0.0000 2632.0906 6160.8964 290.7217 3528.8058 6191.4947 298.2816 LDB: ============= START OF LOAD BALANCING ============== 720.554 LDB: ============== END OF LOAD BALANCING =============== 720.554 LDB: =============== DONE WITH MIGRATION ================ 720.554 LDB: ============= START OF LOAD BALANCING ============== 720.947 LDB: ============== END OF LOAD BALANCING =============== 720.947 LDB: =============== DONE WITH MIGRATION ================ 720.947 PRESSURE: 180400 0 0 0 0 0 0 0 0 0 GPRESSURE: 180400 0 0 0 0 0 0 0 0 0 PRESSAVG: 180400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180400 0 0 0 0 0 0 0 0 0 TIMING: 180400 CPU: 718.638, 0.00393021/step Wall: 718.638, 0.00393021/step, 2.53237 hours remaining, 110.558594 MB of memory in use. ENERGY: 180400 637.1200 1858.8618 1976.4968 117.7331 0.5304 -1090.6518 0.0000 0.0000 2619.2054 6119.2956 289.2985 3500.0902 6150.2092 296.7727 PRESSURE: 180600 0 0 0 0 0 0 0 0 0 GPRESSURE: 180600 0 0 0 0 0 0 0 0 0 PRESSAVG: 180600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180600 0 0 0 0 0 0 0 0 0 TIMING: 180600 CPU: 719.423, 0.00392531/step Wall: 719.423, 0.00392531/step, 2.52899 hours remaining, 110.558594 MB of memory in use. ENERGY: 180600 625.7521 1845.2799 1958.4547 97.6232 1.6036 -1088.4644 0.0000 0.0000 2682.4981 6122.7472 296.2894 3440.2490 6153.6995 294.3512 PRESSURE: 180800 0 0 0 0 0 0 0 0 0 GPRESSURE: 180800 0 0 0 0 0 0 0 0 0 PRESSAVG: 180800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 180800 0 0 0 0 0 0 0 0 0 TIMING: 180800 CPU: 720.208, 0.00392366/step Wall: 720.208, 0.00392366/step, 2.52771 hours remaining, 110.558594 MB of memory in use. ENERGY: 180800 617.4707 1817.8678 1993.0587 110.3554 -0.0832 -1093.4665 0.0000 0.0000 2694.1884 6139.3915 297.5806 3445.2030 6174.1411 295.9769 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: 720.992, 0.00392029/step Wall: 720.992, 0.00392029/step, 2.52532 hours remaining, 110.558594 MB of memory in use. ENERGY: 181000 665.8891 1845.9954 1939.4244 113.2876 0.8509 -1079.7284 0.0000 0.0000 2724.2962 6210.0153 300.9061 3485.7191 6242.0937 298.8925 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: 721.777, 0.00392274/step Wall: 721.777, 0.00392274/step, 2.52668 hours remaining, 110.558594 MB of memory in use. ENERGY: 181200 668.8439 1898.5061 1970.8793 104.4786 0.6426 -1061.8663 0.0000 0.0000 2648.0250 6229.5092 292.4817 3581.4841 6258.8922 299.3187 PRESSURE: 181400 0 0 0 0 0 0 0 0 0 GPRESSURE: 181400 0 0 0 0 0 0 0 0 0 PRESSAVG: 181400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181400 0 0 0 0 0 0 0 0 0 TIMING: 181400 CPU: 722.561, 0.00392362/step Wall: 722.561, 0.00392362/step, 2.52703 hours remaining, 110.558594 MB of memory in use. ENERGY: 181400 661.7943 1883.5131 1975.0348 106.9432 2.7291 -1072.2816 0.0000 0.0000 2694.4453 6252.1781 297.6090 3557.7328 6285.5862 300.2686 PRESSURE: 181600 0 0 0 0 0 0 0 0 0 GPRESSURE: 181600 0 0 0 0 0 0 0 0 0 PRESSAVG: 181600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181600 0 0 0 0 0 0 0 0 0 TIMING: 181600 CPU: 723.346, 0.00392285/step Wall: 723.346, 0.00392285/step, 2.52631 hours remaining, 110.558594 MB of memory in use. ENERGY: 181600 640.0387 1915.6834 1949.9111 108.7152 1.7577 -1075.5896 0.0000 0.0000 2762.2209 6302.7373 305.0950 3540.5164 6338.1035 303.8562 PRESSURE: 181800 0 0 0 0 0 0 0 0 0 GPRESSURE: 181800 0 0 0 0 0 0 0 0 0 PRESSAVG: 181800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 181800 0 0 0 0 0 0 0 0 0 TIMING: 181800 CPU: 724.13, 0.00392228/step Wall: 724.13, 0.00392228/step, 2.52573 hours remaining, 110.558594 MB of memory in use. ENERGY: 181800 667.3126 1861.8178 1957.4480 101.6450 1.4212 -1078.1713 0.0000 0.0000 2742.2947 6253.7681 302.8941 3511.4733 6290.0117 303.2739 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: 724.917, 0.00393324/step Wall: 724.917, 0.00393324/step, 2.53257 hours remaining, 110.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 182000 646.8950 1904.6761 1975.7085 109.3464 2.6297 -1071.7728 0.0000 0.0000 2736.7650 6304.2478 302.2833 3567.4828 6341.0241 301.9290 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: 725.703, 0.00392729/step Wall: 725.703, 0.00392729/step, 2.52852 hours remaining, 110.562500 MB of memory in use. ENERGY: 182200 717.2048 1860.8248 1942.7949 119.8112 1.6570 -1072.6598 0.0000 0.0000 2733.5408 6303.1737 301.9272 3569.6328 6337.0940 304.9458 PRESSURE: 182400 0 0 0 0 0 0 0 0 0 GPRESSURE: 182400 0 0 0 0 0 0 0 0 0 PRESSAVG: 182400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182400 0 0 0 0 0 0 0 0 0 TIMING: 182400 CPU: 726.488, 0.00392601/step Wall: 726.488, 0.00392601/step, 2.52748 hours remaining, 110.562500 MB of memory in use. ENERGY: 182400 672.8148 1840.9878 1954.4563 114.9286 0.7041 -1072.8544 0.0000 0.0000 2746.8635 6257.9008 303.3987 3511.0373 6293.6964 303.5511 PRESSURE: 182600 0 0 0 0 0 0 0 0 0 GPRESSURE: 182600 0 0 0 0 0 0 0 0 0 PRESSAVG: 182600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182600 0 0 0 0 0 0 0 0 0 TIMING: 182600 CPU: 727.272, 0.00392309/step Wall: 727.272, 0.0039231/step, 2.52539 hours remaining, 110.562500 MB of memory in use. ENERGY: 182600 670.1662 1891.8622 1968.7019 109.1914 1.3299 -1071.1794 0.0000 0.0000 2689.4944 6259.5666 297.0621 3570.0722 6292.2885 303.4907 PRESSURE: 182800 0 0 0 0 0 0 0 0 0 GPRESSURE: 182800 0 0 0 0 0 0 0 0 0 PRESSAVG: 182800 0 0 0 0 0 0 0 0 0 GPRESSAVG: 182800 0 0 0 0 0 0 0 0 0 TIMING: 182800 CPU: 728.056, 0.00391775/step Wall: 728.056, 0.00391775/step, 2.52172 hours remaining, 110.562500 MB of memory in use. ENERGY: 182800 679.2489 1842.0746 1954.0525 114.2965 0.9878 -1052.8484 0.0000 0.0000 2782.0835 6319.8955 307.2889 3537.8120 6356.8492 303.5164 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: 728.841, 0.00392513/step Wall: 728.841, 0.00392512/step, 2.52625 hours remaining, 110.562500 MB of memory in use. ENERGY: 183000 656.6467 1852.4076 1935.2336 116.1440 0.0494 -1034.8181 0.0000 0.0000 2794.1243 6319.7875 308.6188 3525.6632 6354.1504 305.3627 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: 729.625, 0.0039228/step Wall: 729.625, 0.00392281/step, 2.52455 hours remaining, 110.562500 MB of memory in use. ENERGY: 183200 659.4328 1879.1522 1961.2139 110.2703 2.9533 -1030.7786 0.0000 0.0000 2774.7323 6356.9762 306.4769 3582.2439 6390.7502 306.2660 PRESSURE: 183400 0 0 0 0 0 0 0 0 0 GPRESSURE: 183400 0 0 0 0 0 0 0 0 0 PRESSAVG: 183400 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183400 0 0 0 0 0 0 0 0 0 TIMING: 183400 CPU: 730.41, 0.00392316/step Wall: 730.41, 0.00392316/step, 2.52455 hours remaining, 110.562500 MB of memory in use. ENERGY: 183400 679.8412 1923.7994 1964.6878 120.8667 2.2997 -1076.5638 0.0000 0.0000 2693.1885 6308.1194 297.4702 3614.9309 6339.4167 305.4377 PRESSURE: 183600 0 0 0 0 0 0 0 0 0 GPRESSURE: 183600 0 0 0 0 0 0 0 0 0 PRESSAVG: 183600 0 0 0 0 0 0 0 0 0 GPRESSAVG: 183600 0 0 0 0 0 0 0 0 0 TIMING: 183600 CPU: 731.195, 0.00392295/step Wall: 731.195, 0.00392295/step, 2.5242 hours remaining, 110.562500 MB of memory in use. ENERGY: 183600 647.3917 1889.0782 1948.4649 115.8311 2.8363 -1085.2320 0.0000 0.0000 2772.9381 6291.3082 306.2787 3518.3702 6325.0820 305.4943 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: 731.978, 0.00391841/step Wall: 731.978, 0.00391841/step, 2.52106 hours remaining, 110.562500 MB of memory in use. ENERGY: 183800 669.7711 1846.8599 1965.7705 107.0687 1.4907 -1059.8147 0.0000 0.0000 2721.1057 6252.2519 300.5537 3531.1462 6288.2731 304.2535 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: 732.763, 0.00392377/step Wall: 732.763, 0.00392377/step, 2.52429 hours remaining, 110.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 184000 675.9197 1857.8017 1953.8077 112.7125 3.7574 -1074.4645 0.0000 0.0000 2753.4211 6282.9557 304.1230 3529.5346 6317.0318 303.3530 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: 741.358, 0.0429754/step Wall: 741.358, 0.0429754/step, 27.6451 hours remaining, 110.562500 MB of memory in use. ENERGY: 184200 622.2689 1888.3338 1970.0056 96.1602 1.7610 -1059.4473 0.0000 0.0000 2726.6004 6245.6826 301.1606 3519.0822 6282.0406 302.3366 LDB: ============= START OF LOAD BALANCING ============== 744.067 LDB: ============== END OF LOAD BALANCING =============== 744.067 LDB: =============== DONE WITH MIGRATION ================ 744.067 LDB: ============= START OF LOAD BALANCING ============== 744.46 LDB: ============== END OF LOAD BALANCING =============== 744.46 LDB: =============== DONE WITH MIGRATION ================ 744.46 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: 742.151, 0.00396528/step Wall: 742.151, 0.00396528/step, 2.55056 hours remaining, 110.562500 MB of memory in use. ENERGY: 184400 603.4008 1902.3470 1990.0831 118.0383 0.8765 -1072.6926 0.0000 0.0000 2718.1092 6260.1623 300.2227 3542.0531 6291.3639 301.4828 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: 742.935, 0.00391943/step Wall: 742.935, 0.00391943/step, 2.52084 hours remaining, 110.562500 MB of memory in use. ENERGY: 184600 644.1962 1888.2001 1960.8032 112.8943 1.4255 -1084.0787 0.0000 0.0000 2715.0860 6238.5265 299.8888 3523.4406 6272.6738 301.6583 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: 743.72, 0.00392292/step Wall: 743.72, 0.00392292/step, 2.52288 hours remaining, 110.562500 MB of memory in use. ENERGY: 184800 659.6185 1811.3528 1978.3479 114.0515 0.3133 -1087.8900 0.0000 0.0000 2699.4491 6175.2432 298.1617 3475.7941 6207.7417 299.7730 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: 744.505, 0.00392423/step Wall: 744.505, 0.00392423/step, 2.5235 hours remaining, 110.562500 MB of memory in use. ENERGY: 185000 674.6124 1837.3700 1973.8001 98.0313 1.4095 -1069.6181 0.0000 0.0000 2667.3832 6182.9883 294.6199 3515.6051 6215.1188 297.6704 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: 745.289, 0.00392305/step Wall: 745.289, 0.00392305/step, 2.52252 hours remaining, 110.562500 MB of memory in use. ENERGY: 185200 657.5790 1891.1587 1986.4094 101.6485 1.5060 -1088.0430 0.0000 0.0000 2701.3996 6251.6582 298.3771 3550.2586 6286.0878 300.8987 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: 746.073, 0.00391804/step Wall: 746.073, 0.00391804/step, 2.51908 hours remaining, 110.562500 MB of memory in use. ENERGY: 185400 647.7839 1863.9853 1945.2310 112.0817 1.2551 -1082.4855 0.0000 0.0000 2754.2628 6242.1142 304.2160 3487.8514 6275.8084 302.0279 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: 746.857, 0.0039227/step Wall: 746.857, 0.0039227/step, 2.52186 hours remaining, 110.562500 MB of memory in use. ENERGY: 185600 674.8854 1845.4501 1953.8162 115.5862 1.9736 -1086.6509 0.0000 0.0000 2751.1390 6256.1994 303.8710 3505.0605 6289.5634 302.9392 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: 747.642, 0.00392205/step Wall: 747.642, 0.00392205/step, 2.52123 hours remaining, 110.562500 MB of memory in use. ENERGY: 185800 624.9793 1869.6573 1974.2867 117.6409 2.3036 -1099.2124 0.0000 0.0000 2720.9072 6210.5626 300.5318 3489.6554 6244.2159 300.6657 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: 748.427, 0.00392518/step Wall: 748.427, 0.00392518/step, 2.52302 hours remaining, 110.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 186000 637.2361 1894.6326 1936.6263 102.8970 1.1778 -1083.8540 0.0000 0.0000 2765.1189 6253.8349 305.4151 3488.7160 6288.2151 301.4012 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: 749.211, 0.00392209/step Wall: 749.211, 0.00392209/step, 2.52081 hours remaining, 110.562500 MB of memory in use. ENERGY: 186200 721.5847 1831.7936 1970.1055 99.7420 3.4122 -1054.3281 0.0000 0.0000 2708.6675 6280.9774 299.1799 3572.3099 6315.0542 301.4515 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: 749.995, 0.0039182/step Wall: 749.995, 0.0039182/step, 2.5181 hours remaining, 110.562500 MB of memory in use. ENERGY: 186400 643.2596 1884.3818 1959.8474 107.6964 2.6725 -1078.0697 0.0000 0.0000 2764.3881 6284.1760 305.3344 3519.7880 6320.8553 302.9405 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: 750.779, 0.00392262/step Wall: 750.779, 0.00392262/step, 2.52072 hours remaining, 110.562500 MB of memory in use. ENERGY: 186600 654.3432 1839.2062 1939.7581 95.7479 2.3497 -1055.3892 0.0000 0.0000 2814.5214 6290.5373 310.8717 3476.0158 6326.3429 301.6025 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: 751.564, 0.00392156/step Wall: 751.564, 0.00392156/step, 2.51982 hours remaining, 110.562500 MB of memory in use. ENERGY: 186800 647.7783 1860.7190 1962.3005 101.2611 2.1236 -1077.4702 0.0000 0.0000 2761.2361 6257.9485 304.9862 3496.7124 6292.2948 302.1316 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: 752.348, 0.00392253/step Wall: 752.348, 0.00392253/step, 2.52023 hours remaining, 110.562500 MB of memory in use. ENERGY: 187000 646.6141 1872.4338 1973.2006 109.4249 2.2791 -1086.2848 0.0000 0.0000 2693.6306 6211.2982 297.5190 3517.6676 6244.8967 300.7261 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: 753.132, 0.00391751/step Wall: 753.132, 0.0039175/step, 2.51678 hours remaining, 110.562500 MB of memory in use. ENERGY: 187200 648.4417 1862.5946 1967.7037 99.1420 2.2987 -1097.1184 0.0000 0.0000 2745.7072 6228.7694 303.2710 3483.0622 6261.3666 300.8468 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: 753.916, 0.00392267/step Wall: 753.916, 0.00392268/step, 2.51988 hours remaining, 110.562500 MB of memory in use. ENERGY: 187400 668.1990 1860.1731 1950.3439 98.2357 1.5628 -1090.5321 0.0000 0.0000 2705.8685 6193.8509 298.8707 3487.9824 6227.8132 299.6416 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: 754.701, 0.00392249/step Wall: 754.701, 0.00392249/step, 2.51955 hours remaining, 110.562500 MB of memory in use. ENERGY: 187600 658.5301 1855.7366 1959.9118 116.9382 3.1659 -1081.8915 0.0000 0.0000 2645.0147 6157.4057 292.1492 3512.3911 6189.0938 298.0516 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: 755.485, 0.00392253/step Wall: 755.485, 0.00392253/step, 2.51935 hours remaining, 110.562500 MB of memory in use. ENERGY: 187800 699.3810 1879.1933 1920.7025 102.8378 3.4977 -1105.9993 0.0000 0.0000 2682.1554 6181.7684 296.2515 3499.6130 6217.0929 298.0509 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: 756.272, 0.00393434/step Wall: 756.272, 0.00393434/step, 2.52672 hours remaining, 110.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 188000 645.5901 1837.0531 1962.2755 109.1061 1.4350 -1086.4178 0.0000 0.0000 2736.8923 6205.9343 302.2974 3469.0420 6242.2056 300.3528 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: 757.056, 0.00391969/step Wall: 757.056, 0.00391969/step, 2.51709 hours remaining, 110.562500 MB of memory in use. ENERGY: 188200 734.3467 1854.2327 1967.1399 95.4440 3.0973 -1128.7956 0.0000 0.0000 2726.2207 6251.6856 301.1187 3525.4649 6286.9741 301.7160 LDB: ============= START OF LOAD BALANCING ============== 759.758 LDB: ============== END OF LOAD BALANCING =============== 759.758 LDB: =============== DONE WITH MIGRATION ================ 759.758 LDB: ============= START OF LOAD BALANCING ============== 760.151 LDB: ============== END OF LOAD BALANCING =============== 760.151 LDB: =============== DONE WITH MIGRATION ================ 760.151 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: 757.842, 0.00392878/step Wall: 757.842, 0.00392878/step, 2.52271 hours remaining, 110.562500 MB of memory in use. ENERGY: 188400 677.6560 1862.6490 1972.3377 127.3902 2.0953 -1081.3059 0.0000 0.0000 2709.2225 6270.0447 299.2412 3560.8222 6301.9109 302.3651 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: 758.627, 0.00392434/step Wall: 758.627, 0.00392434/step, 2.51964 hours remaining, 110.562500 MB of memory in use. ENERGY: 188600 699.0214 1882.2263 1970.7620 110.0129 2.3993 -1082.7681 0.0000 0.0000 2724.9131 6306.5667 300.9742 3581.6536 6337.8487 304.1534 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: 759.411, 0.00392323/step Wall: 759.411, 0.00392323/step, 2.51871 hours remaining, 110.562500 MB of memory in use. ENERGY: 188800 640.6083 1894.0766 1968.2101 111.0905 2.8128 -1092.0615 0.0000 0.0000 2756.1968 6280.9336 304.4296 3524.7369 6314.9824 304.1303 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: 760.194, 0.00391569/step Wall: 760.194, 0.00391569/step, 2.51365 hours remaining, 110.562500 MB of memory in use. ENERGY: 189000 658.1838 1876.8333 1969.0062 113.2185 3.4298 -1074.0656 0.0000 0.0000 2674.4287 6221.0347 295.3981 3546.6060 6254.1903 302.6580 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: 760.979, 0.00392088/step Wall: 760.979, 0.00392088/step, 2.51677 hours remaining, 110.562500 MB of memory in use. ENERGY: 189200 629.7855 1896.3245 1968.6497 103.1193 2.5272 -1121.1141 0.0000 0.0000 2737.6084 6216.9005 302.3765 3479.2922 6252.7229 300.4164 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: 761.763, 0.0039216/step Wall: 761.763, 0.0039216/step, 2.51701 hours remaining, 110.562500 MB of memory in use. ENERGY: 189400 676.1216 1859.6413 1925.0608 105.5602 3.3518 -1051.6314 0.0000 0.0000 2715.3363 6233.4407 299.9165 3518.1045 6266.1410 301.1419 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: 762.547, 0.00392184/step Wall: 762.547, 0.00392184/step, 2.51695 hours remaining, 110.562500 MB of memory in use. ENERGY: 189600 651.6781 1826.3975 1985.3159 120.2759 2.4041 -1042.2361 0.0000 0.0000 2722.6340 6266.4695 300.7225 3543.8354 6295.7496 300.2394 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: 763.331, 0.00392005/step Wall: 763.331, 0.00392005/step, 2.51559 hours remaining, 110.562500 MB of memory in use. ENERGY: 189800 670.6258 1818.3004 1989.3498 120.9998 3.6946 -1074.2917 0.0000 0.0000 2724.3060 6252.9847 300.9072 3528.6787 6281.9475 302.3264 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: 764.115, 0.00391705/step Wall: 764.115, 0.00391705/step, 2.51344 hours remaining, 110.562500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 190000 639.9972 1820.2740 1993.7374 114.5614 4.6791 -1078.4780 0.0000 0.0000 2745.0812 6239.8524 303.2019 3494.7713 6272.7798 301.7034 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 190000 WRITING COORDINATES TO DCD FILE MD.1.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: 771.05, 0.0346754/step Wall: 771.05, 0.0346754/step, 22.2481 hours remaining, 110.562500 MB of memory in use. ENERGY: 190200 688.5095 1857.2701 1928.7022 111.2252 3.2651 -1080.8285 0.0000 0.0000 2758.6424 6266.7860 304.6997 3508.1436 6298.8022 301.6301 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: 771.834, 0.0039217/step Wall: 771.834, 0.0039217/step, 2.51599 hours remaining, 110.562500 MB of memory in use. ENERGY: 190400 636.1979 1844.3306 1950.3688 113.4467 2.6309 -1083.7205 0.0000 0.0000 2701.6438 6164.8983 298.4041 3463.2545 6196.8032 300.0189 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: 772.619, 0.00392279/step Wall: 772.619, 0.00392279/step, 2.51647 hours remaining, 110.562500 MB of memory in use. ENERGY: 190600 650.2807 1812.5834 1945.6534 96.7435 2.2616 -1078.5265 0.0000 0.0000 2719.1268 6148.1230 300.3351 3428.9962 6183.0732 297.2603 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: 773.403, 0.00392195/step Wall: 773.403, 0.00392195/step, 2.51571 hours remaining, 110.562500 MB of memory in use. ENERGY: 190800 618.5366 1842.8769 1943.2960 104.4566 3.0225 -1106.3235 0.0000 0.0000 2672.5403 6078.4054 295.1895 3405.8651 6115.1447 295.6395 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: 774.187, 0.00391742/step Wall: 774.187, 0.00391742/step, 2.51259 hours remaining, 110.562500 MB of memory in use. ENERGY: 191000 633.2122 1849.6703 1954.2035 99.0274 3.2214 -1139.9737 0.0000 0.0000 2701.2455 6100.6064 298.3601 3399.3610 6134.8441 293.2406 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: 774.976, 0.00394784/step Wall: 774.976, 0.00394784/step, 2.53188 hours remaining, 110.703125 MB of memory in use. ENERGY: 191200 639.3723 1838.0300 1939.3406 112.6424 2.7335 -1085.5077 0.0000 0.0000 2714.3370 6160.9481 299.8061 3446.6111 6195.4541 295.5677 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: 775.761, 0.00392338/step Wall: 775.761, 0.00392338/step, 2.51598 hours remaining, 110.703125 MB of memory in use. ENERGY: 191400 648.6259 1905.5471 1963.3005 106.9498 3.2686 -1130.4356 0.0000 0.0000 2690.3403 6187.5966 297.1556 3497.2562 6221.0705 297.7548 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: 776.545, 0.00392214/step Wall: 776.545, 0.00392214/step, 2.51496 hours remaining, 110.703125 MB of memory in use. ENERGY: 191600 675.0853 1923.1441 1951.7562 110.6124 3.4292 -1129.7846 0.0000 0.0000 2679.1412 6213.3838 295.9186 3534.2426 6244.6413 300.6209 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: 777.329, 0.0039211/step Wall: 777.329, 0.0039211/step, 2.51408 hours remaining, 110.703125 MB of memory in use. ENERGY: 191800 664.7922 1858.5109 1927.6187 106.8766 2.8580 -1089.4259 0.0000 0.0000 2742.7744 6214.0048 302.9471 3471.2304 6247.9178 299.6083 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: 778.113, 0.00391687/step Wall: 778.113, 0.00391687/step, 2.51115 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 192000 639.8380 1832.8773 1939.2134 115.6617 2.0632 -1056.9522 0.0000 0.0000 2798.7614 6271.4627 309.1310 3472.7013 6307.8741 301.3773 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: 778.897, 0.00392316/step Wall: 778.897, 0.00392316/step, 2.51496 hours remaining, 110.703125 MB of memory in use. ENERGY: 192200 612.4632 1890.9947 1964.3186 113.2901 2.8936 -1092.8037 0.0000 0.0000 2751.7141 6242.8706 303.9345 3491.1565 6278.3791 301.6955 LDB: ============= START OF LOAD BALANCING ============== 781.599 LDB: ============== END OF LOAD BALANCING =============== 781.599 LDB: =============== DONE WITH MIGRATION ================ 781.599 LDB: ============= START OF LOAD BALANCING ============== 781.992 LDB: ============== END OF LOAD BALANCING =============== 781.992 LDB: =============== DONE WITH MIGRATION ================ 781.992 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: 779.683, 0.00392589/step Wall: 779.683, 0.00392589/step, 2.5165 hours remaining, 110.703125 MB of memory in use. ENERGY: 192400 643.7274 1844.9534 1948.4159 115.8493 2.5382 -1070.6578 0.0000 0.0000 2715.7955 6200.6219 299.9672 3484.8264 6233.5691 300.8097 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: 780.467, 0.00392356/step Wall: 780.467, 0.00392356/step, 2.51478 hours remaining, 110.703125 MB of memory in use. ENERGY: 192600 655.6181 1889.6838 1922.8080 96.9745 3.9930 -1078.7043 0.0000 0.0000 2695.9650 6186.3382 297.7768 3490.3732 6220.0361 298.5069 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: 781.252, 0.00392115/step Wall: 781.252, 0.00392115/step, 2.51302 hours remaining, 110.703125 MB of memory in use. ENERGY: 192800 634.8680 1930.6490 1918.4236 116.5520 3.1727 -1140.8441 0.0000 0.0000 2748.7959 6211.6171 303.6122 3462.8212 6243.8472 299.9419 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: 782.035, 0.00391802/step Wall: 782.035, 0.00391802/step, 2.5108 hours remaining, 110.703125 MB of memory in use. ENERGY: 193000 665.8789 1937.6605 1943.8282 121.0327 2.7851 -1121.4859 0.0000 0.0000 2712.2125 6261.9120 299.5714 3549.6995 6292.8275 302.3570 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: 782.82, 0.00392211/step Wall: 782.82, 0.00392211/step, 2.5132 hours remaining, 110.703125 MB of memory in use. ENERGY: 193200 699.9809 1878.7661 1967.3639 99.2197 2.9797 -1107.0874 0.0000 0.0000 2745.7455 6286.9685 303.2752 3541.2229 6318.8643 303.1907 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: 783.604, 0.00392278/step Wall: 783.604, 0.00392278/step, 2.51341 hours remaining, 110.703125 MB of memory in use. ENERGY: 193400 680.8940 1842.5945 1943.2175 112.6182 3.4289 -1076.6732 0.0000 0.0000 2726.7580 6232.8378 301.1780 3506.0799 6264.6090 302.4427 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: 784.391, 0.00393567/step Wall: 784.391, 0.00393567/step, 2.52145 hours remaining, 110.703125 MB of memory in use. ENERGY: 193600 685.2025 1863.8964 1950.7452 107.4453 3.6092 -1100.0182 0.0000 0.0000 2699.5154 6210.3958 298.1690 3510.8803 6244.3278 300.5033 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: 785.177, 0.003926/step Wall: 785.177, 0.003926/step, 2.51504 hours remaining, 110.703125 MB of memory in use. ENERGY: 193800 685.7466 1849.4642 1967.9804 115.8971 3.2559 -1087.6930 0.0000 0.0000 2687.0537 6221.7050 296.7926 3534.6513 6251.0244 301.5048 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: 785.962, 0.00392645/step Wall: 785.962, 0.00392645/step, 2.51511 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 194000 650.2783 1857.7718 1988.7802 122.2970 2.2760 -1121.1832 0.0000 0.0000 2716.5040 6216.7240 300.0454 3500.2200 6250.3832 301.5213 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: 786.747, 0.00392563/step Wall: 786.747, 0.00392563/step, 2.51437 hours remaining, 110.703125 MB of memory in use. ENERGY: 194200 638.0015 1886.7602 1950.3887 108.1989 1.8627 -1078.1026 0.0000 0.0000 2723.6710 6230.7803 300.8371 3507.1093 6262.8376 300.5686 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: 787.532, 0.00392367/step Wall: 787.532, 0.00392367/step, 2.5129 hours remaining, 110.703125 MB of memory in use. ENERGY: 194400 650.0957 1829.9827 1976.1124 102.9730 2.5413 -1102.9825 0.0000 0.0000 2794.7005 6253.4230 308.6825 3458.7225 6289.0777 302.9861 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: 788.316, 0.00392408/step Wall: 788.316, 0.00392408/step, 2.51294 hours remaining, 110.703125 MB of memory in use. ENERGY: 194600 660.3231 1807.5656 1950.0596 117.1357 3.1410 -1130.1995 0.0000 0.0000 2836.0728 6244.0984 313.2521 3408.0256 6279.9187 303.0767 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: 789.1, 0.00391839/step Wall: 789.1, 0.00391839/step, 2.50908 hours remaining, 110.703125 MB of memory in use. ENERGY: 194800 682.2208 1907.4480 1948.4613 103.5259 2.4188 -1134.6826 0.0000 0.0000 2714.1469 6223.5392 299.7851 3509.3923 6257.1029 301.3288 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: 789.885, 0.00392321/step Wall: 789.885, 0.00392321/step, 2.51194 hours remaining, 110.703125 MB of memory in use. ENERGY: 195000 639.2550 1857.4703 1929.8329 101.1096 0.5997 -1096.3804 0.0000 0.0000 2747.9062 6179.7934 303.5139 3431.8872 6214.7304 299.6642 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: 790.67, 0.0039239/step Wall: 790.67, 0.0039239/step, 2.51217 hours remaining, 110.703125 MB of memory in use. ENERGY: 195200 645.0045 1860.0836 1961.7227 92.4148 2.6195 -1124.6113 0.0000 0.0000 2677.1222 6114.3560 295.6956 3437.2338 6147.4551 297.1557 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: 791.454, 0.0039232/step Wall: 791.454, 0.0039232/step, 2.5115 hours remaining, 110.703125 MB of memory in use. ENERGY: 195400 633.3021 1809.3955 1951.7619 102.3322 1.2133 -1092.0933 0.0000 0.0000 2681.5065 6087.4183 296.1799 3405.9118 6119.5368 294.6982 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: 792.238, 0.00391731/step Wall: 792.238, 0.00391731/step, 2.50751 hours remaining, 110.703125 MB of memory in use. ENERGY: 195600 617.0431 1845.5530 1947.5582 98.8301 1.9816 -1070.9513 0.0000 0.0000 2652.9819 6092.9965 293.0292 3440.0146 6122.8822 294.3828 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: 793.022, 0.003923/step Wall: 793.022, 0.003923/step, 2.51094 hours remaining, 110.703125 MB of memory in use. ENERGY: 195800 623.9959 1881.2485 1953.9611 106.9015 3.1325 -1082.6555 0.0000 0.0000 2647.8031 6134.3870 292.4572 3486.5839 6165.9860 295.3301 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: 793.807, 0.00392262/step Wall: 793.807, 0.00392262/step, 2.51047 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 196000 658.7215 1876.1049 1923.7706 95.5353 3.3045 -1073.6480 0.0000 0.0000 2627.6779 6111.4667 290.2343 3483.7888 6143.4468 294.3477 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: 794.592, 0.00392352/step Wall: 794.592, 0.00392352/step, 2.51083 hours remaining, 110.703125 MB of memory in use. ENERGY: 196200 656.3393 1839.2466 1943.9182 102.1462 0.7726 -1083.6521 0.0000 0.0000 2715.6612 6174.4321 299.9523 3458.7709 6207.5212 296.7103 LDB: ============= START OF LOAD BALANCING ============== 797.292 LDB: ============== END OF LOAD BALANCING =============== 797.292 LDB: =============== DONE WITH MIGRATION ================ 797.293 LDB: ============= START OF LOAD BALANCING ============== 797.686 LDB: ============== END OF LOAD BALANCING =============== 797.686 LDB: =============== DONE WITH MIGRATION ================ 797.686 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: 795.377, 0.00392837/step Wall: 795.377, 0.00392836/step, 2.51372 hours remaining, 110.703125 MB of memory in use. ENERGY: 196400 650.9167 1840.5641 1948.4203 109.8488 1.6262 -1061.7339 0.0000 0.0000 2688.5888 6178.2310 296.9621 3489.6422 6211.8359 298.2574 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: 796.161, 0.00391806/step Wall: 796.161, 0.00391806/step, 2.50691 hours remaining, 110.703125 MB of memory in use. ENERGY: 196600 654.3065 1837.2823 1963.2061 111.2839 1.3543 -1100.7272 0.0000 0.0000 2708.9281 6175.6341 299.2087 3466.7059 6209.0507 300.5839 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: 796.948, 0.00393805/step Wall: 796.948, 0.00393805/step, 2.51947 hours remaining, 110.703125 MB of memory in use. ENERGY: 196800 693.4227 1867.7372 1934.9737 110.7857 2.8915 -1088.3315 0.0000 0.0000 2699.4960 6220.9752 298.1669 3521.4792 6253.8554 298.8718 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: 797.733, 0.00392354/step Wall: 797.733, 0.00392354/step, 2.50997 hours remaining, 110.703125 MB of memory in use. ENERGY: 197000 661.4585 1905.1687 1923.8158 100.5811 1.7557 -1058.5429 0.0000 0.0000 2701.1158 6235.3526 298.3458 3534.2368 6269.0436 300.4352 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: 798.518, 0.0039263/step Wall: 798.518, 0.0039263/step, 2.51152 hours remaining, 110.703125 MB of memory in use. ENERGY: 197200 672.8181 1939.0701 1947.2924 89.9912 1.0483 -1058.8709 0.0000 0.0000 2715.8276 6307.1769 299.9707 3591.3493 6338.5787 303.6659 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: 799.303, 0.00392306/step Wall: 799.303, 0.00392306/step, 2.50923 hours remaining, 110.703125 MB of memory in use. ENERGY: 197400 689.9776 1831.9273 1946.0632 106.3821 2.0262 -1031.0146 0.0000 0.0000 2730.4413 6275.8032 301.5848 3545.3619 6309.8126 303.2320 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: 800.087, 0.00391847/step Wall: 800.087, 0.00391847/step, 2.50608 hours remaining, 110.703125 MB of memory in use. ENERGY: 197600 651.8718 1882.9479 1912.5876 114.2631 2.5018 -1072.1094 0.0000 0.0000 2770.7530 6262.8157 306.0374 3492.0627 6298.8397 304.3975 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: 800.871, 0.00392327/step Wall: 800.871, 0.00392327/step, 2.50893 hours remaining, 110.703125 MB of memory in use. ENERGY: 197800 666.0228 1820.9956 1940.2793 117.8426 2.0660 -1060.3495 0.0000 0.0000 2715.1072 6201.9641 299.8912 3486.8569 6234.7635 300.1598 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: 801.656, 0.00392138/step Wall: 801.656, 0.00392138/step, 2.5075 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 198000 643.9610 1853.2708 1956.3357 106.4861 2.0967 -1136.7995 0.0000 0.0000 2709.5880 6134.9388 299.2815 3425.3508 6168.2144 299.6642 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: 802.44, 0.00392311/step Wall: 802.44, 0.00392311/step, 2.50839 hours remaining, 110.703125 MB of memory in use. ENERGY: 198200 684.1584 1826.1591 1950.6403 115.0101 2.2393 -1138.4075 0.0000 0.0000 2745.1532 6184.9529 303.2098 3439.7997 6218.5251 299.3415 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: 803.224, 0.00391901/step Wall: 803.224, 0.00391901/step, 2.50555 hours remaining, 110.703125 MB of memory in use. ENERGY: 198400 667.4070 1902.8156 1927.6558 111.4319 1.7544 -1117.2333 0.0000 0.0000 2671.8338 6165.6653 295.1115 3493.8315 6197.8790 298.4310 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: 804.009, 0.00392251/step Wall: 804.009, 0.00392251/step, 2.50758 hours remaining, 110.703125 MB of memory in use. ENERGY: 198600 671.0029 1877.7304 1939.5827 111.0180 1.7917 -1096.3855 0.0000 0.0000 2730.6193 6235.3594 301.6045 3504.7401 6271.0304 300.2511 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: 804.793, 0.00392302/step Wall: 804.793, 0.00392302/step, 2.50768 hours remaining, 110.703125 MB of memory in use. ENERGY: 198800 650.6017 1884.8459 1961.3600 102.5233 1.2249 -1110.3292 0.0000 0.0000 2762.5074 6252.7341 305.1266 3490.2267 6286.0848 303.6251 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: 805.577, 0.00392172/step Wall: 805.577, 0.00392172/step, 2.50663 hours remaining, 110.703125 MB of memory in use. ENERGY: 199000 653.0036 1843.7623 1991.6655 101.1008 0.6438 -1070.5532 0.0000 0.0000 2792.3560 6311.9788 308.4235 3519.6228 6344.8118 303.2528 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: 806.362, 0.00392346/step Wall: 806.362, 0.00392346/step, 2.50753 hours remaining, 110.703125 MB of memory in use. ENERGY: 199200 678.5338 1899.9395 1969.7789 110.2329 3.0028 -1111.1405 0.0000 0.0000 2805.8079 6356.1553 309.9093 3550.3474 6388.7527 305.0823 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: 807.146, 0.00391863/step Wall: 807.146, 0.00391863/step, 2.50422 hours remaining, 110.703125 MB of memory in use. ENERGY: 199400 651.5625 1888.5552 1984.2751 106.6279 2.9679 -1106.7995 0.0000 0.0000 2732.1794 6259.3685 301.7768 3527.1891 6294.4929 303.5599 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: 807.93, 0.00392177/step Wall: 807.93, 0.00392177/step, 2.50601 hours remaining, 110.703125 MB of memory in use. ENERGY: 199600 713.1599 1862.0154 1944.7898 108.4119 4.6235 -1065.0616 0.0000 0.0000 2690.9998 6258.9388 297.2284 3567.9390 6288.0632 300.8584 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: 810.119, 0.0109418/step Wall: 810.119, 0.0109418/step, 6.99121 hours remaining, 110.703125 MB of memory in use. ENERGY: 199800 689.5603 1855.1876 1980.3824 115.5105 2.9518 -1100.1961 0.0000 0.0000 2724.9449 6268.3413 300.9778 3543.3964 6303.0398 301.9293 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: 810.908, 0.00394822/step Wall: 810.908, 0.00394822/step, 2.52247 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 200000 656.2113 1840.9221 1948.5609 109.5930 2.0982 -1103.3856 0.0000 0.0000 2731.0503 6185.0501 301.6521 3453.9998 6216.6095 300.9979 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 200000 WRITING COORDINATES TO DCD FILE MD.1.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: 813.968, 0.0152995/step Wall: 813.968, 0.0152995/step, 9.7738 hours remaining, 110.703125 MB of memory in use. ENERGY: 200200 672.7085 1846.6764 1963.3718 108.7357 3.8910 -1097.6501 0.0000 0.0000 2694.2450 6191.9783 297.5869 3497.7333 6221.8208 298.5803 LDB: ============= START OF LOAD BALANCING ============== 816.67 LDB: ============== END OF LOAD BALANCING =============== 816.67 LDB: =============== DONE WITH MIGRATION ================ 816.67 LDB: ============= START OF LOAD BALANCING ============== 817.063 LDB: ============== END OF LOAD BALANCING =============== 817.063 LDB: =============== DONE WITH MIGRATION ================ 817.063 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: 814.754, 0.00392898/step Wall: 814.754, 0.00392898/step, 2.50974 hours remaining, 110.703125 MB of memory in use. ENERGY: 200400 633.1970 1791.8815 1938.7376 112.3289 2.2740 -1070.7536 0.0000 0.0000 2774.0640 6181.7295 306.4031 3407.6655 6218.7867 298.1321 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: 815.539, 0.00392358/step Wall: 815.539, 0.00392358/step, 2.50608 hours remaining, 110.703125 MB of memory in use. ENERGY: 200600 663.0359 1843.0259 1972.8996 114.0466 2.3295 -1059.3547 0.0000 0.0000 2707.1276 6243.1104 299.0098 3535.9827 6276.3194 299.9598 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: 816.324, 0.00392453/step Wall: 816.324, 0.00392453/step, 2.50647 hours remaining, 110.703125 MB of memory in use. ENERGY: 200800 666.4688 1918.6041 1966.5468 109.2775 2.4978 -1114.4657 0.0000 0.0000 2713.7094 6262.6386 299.7368 3548.9292 6295.0623 301.1668 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: 817.107, 0.00391931/step Wall: 817.107, 0.00391931/step, 2.50292 hours remaining, 110.703125 MB of memory in use. ENERGY: 201000 652.5849 1849.3688 1949.6213 118.6627 2.6113 -1098.6084 0.0000 0.0000 2739.5694 6213.8099 302.5931 3474.2406 6250.5947 303.4659 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: 817.892, 0.00392141/step Wall: 817.892, 0.00392141/step, 2.50404 hours remaining, 110.703125 MB of memory in use. ENERGY: 201200 654.6942 1834.3706 1956.1079 96.7364 2.7565 -1099.1189 0.0000 0.0000 2740.3628 6185.9096 302.6807 3445.5468 6218.8912 300.4279 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: 818.676, 0.00392337/step Wall: 818.676, 0.00392337/step, 2.50507 hours remaining, 110.703125 MB of memory in use. ENERGY: 201400 670.4980 1817.9223 1963.3771 99.3613 3.8964 -1072.8204 0.0000 0.0000 2688.8034 6171.0380 296.9858 3482.2346 6204.3833 298.3008 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: 819.461, 0.00392321/step Wall: 819.461, 0.00392321/step, 2.50475 hours remaining, 110.703125 MB of memory in use. ENERGY: 201600 665.3081 1853.1035 1972.3797 104.8090 3.4218 -1084.1258 0.0000 0.0000 2673.3908 6188.2872 295.2835 3514.8964 6218.7594 298.1742 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: 820.245, 0.00391986/step Wall: 820.245, 0.00391986/step, 2.5024 hours remaining, 110.703125 MB of memory in use. ENERGY: 201800 650.3506 1869.7276 1959.3027 104.6733 2.6979 -1117.1172 0.0000 0.0000 2724.4282 6194.0631 300.9207 3469.6349 6227.8507 299.1153 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: 821.03, 0.00392438/step Wall: 821.03, 0.00392438/step, 2.50507 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 202000 657.3557 1817.6659 1981.0633 115.4580 2.5911 -1075.5827 0.0000 0.0000 2675.0200 6173.5713 295.4634 3498.5513 6206.4852 298.9211 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: 821.814, 0.0039221/step Wall: 821.814, 0.0039221/step, 2.50339 hours remaining, 110.703125 MB of memory in use. ENERGY: 202200 635.4820 1848.1850 1926.1941 97.6944 2.8839 -1041.0172 0.0000 0.0000 2726.0846 6195.5068 301.1036 3469.4222 6228.5835 297.5862 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: 822.599, 0.00392524/step Wall: 822.599, 0.00392524/step, 2.50517 hours remaining, 110.703125 MB of memory in use. ENERGY: 202400 648.8372 1850.8225 1948.7647 107.6768 3.1882 -1105.3502 0.0000 0.0000 2719.1732 6173.1123 300.3403 3453.9391 6207.6907 298.5240 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: 823.384, 0.00392326/step Wall: 823.384, 0.00392326/step, 2.5037 hours remaining, 110.703125 MB of memory in use. ENERGY: 202600 636.0831 1859.9387 1951.8225 108.7099 2.7613 -1063.9839 0.0000 0.0000 2736.3686 6231.7002 302.2395 3495.3316 6265.9773 299.8829 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: 824.168, 0.00391991/step Wall: 824.168, 0.00391991/step, 2.50134 hours remaining, 110.703125 MB of memory in use. ENERGY: 202800 665.1884 1843.0536 1968.8337 117.7277 1.8146 -1094.0097 0.0000 0.0000 2754.0712 6256.6795 304.1948 3502.6083 6289.6192 301.3287 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: 824.953, 0.00392377/step Wall: 824.953, 0.00392377/step, 2.50358 hours remaining, 110.703125 MB of memory in use. ENERGY: 203000 676.6619 1873.0535 1960.8255 121.7448 3.1512 -1103.6729 0.0000 0.0000 2692.5377 6224.3018 297.3983 3531.7641 6260.3715 302.6707 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: 825.737, 0.00392229/step Wall: 825.737, 0.00392229/step, 2.50242 hours remaining, 110.703125 MB of memory in use. ENERGY: 203200 641.5320 1831.7029 1956.3375 100.8374 2.5615 -1056.9453 0.0000 0.0000 2762.9322 6238.9584 305.1736 3476.0261 6270.9337 299.6490 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: 826.522, 0.00392473/step Wall: 826.522, 0.00392473/step, 2.50376 hours remaining, 110.703125 MB of memory in use. ENERGY: 203400 650.1032 1864.9880 1961.0606 121.7205 2.2557 -1104.6120 0.0000 0.0000 2692.5999 6188.1160 297.4052 3495.5160 6220.1294 299.9701 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: 827.306, 0.00391987/step Wall: 827.306, 0.00391987/step, 2.50044 hours remaining, 110.703125 MB of memory in use. ENERGY: 203600 664.0244 1892.3031 1943.1303 106.3880 2.9688 -1073.6921 0.0000 0.0000 2627.1295 6162.2519 290.1738 3535.1224 6191.5844 299.1281 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: 828.091, 0.00392401/step Wall: 828.091, 0.00392401/step, 2.50287 hours remaining, 110.703125 MB of memory in use. ENERGY: 203800 670.4720 1857.5447 1962.2144 107.6526 2.8225 -1100.8830 0.0000 0.0000 2686.3618 6186.1850 296.7161 3499.8232 6218.7511 297.5697 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: 828.876, 0.00392519/step Wall: 828.876, 0.00392519/step, 2.5034 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 204000 647.5435 1840.7995 1973.2551 105.5441 2.2686 -1079.8004 0.0000 0.0000 2672.8696 6162.4800 295.2259 3489.6104 6195.2331 298.6100 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: 829.661, 0.00392336/step Wall: 829.661, 0.00392336/step, 2.50201 hours remaining, 110.703125 MB of memory in use. ENERGY: 204200 667.9085 1852.8232 1987.3294 102.6740 1.6777 -1083.3321 0.0000 0.0000 2680.4333 6209.5140 296.0613 3529.0807 6240.4533 299.0114 LDB: ============= START OF LOAD BALANCING ============== 832.362 LDB: ============== END OF LOAD BALANCING =============== 832.362 LDB: =============== DONE WITH MIGRATION ================ 832.362 LDB: ============= START OF LOAD BALANCING ============== 832.755 LDB: ============== END OF LOAD BALANCING =============== 832.755 LDB: =============== DONE WITH MIGRATION ================ 832.755 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: 830.446, 0.00392795/step Wall: 830.446, 0.00392795/step, 2.50473 hours remaining, 110.703125 MB of memory in use. ENERGY: 204400 681.9182 1801.6260 1963.5486 109.0834 1.9548 -1097.5250 0.0000 0.0000 2734.1674 6194.7735 301.9964 3460.6061 6227.7013 299.3769 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: 831.23, 0.00391912/step Wall: 831.23, 0.00391912/step, 2.49887 hours remaining, 110.703125 MB of memory in use. ENERGY: 204600 663.7256 1878.7668 1979.9594 113.0335 1.7794 -1119.1288 0.0000 0.0000 2677.0746 6195.2106 295.6904 3518.1360 6224.3368 298.1050 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: 832.015, 0.00392291/step Wall: 832.015, 0.00392291/step, 2.50107 hours remaining, 110.703125 MB of memory in use. ENERGY: 204800 666.4731 1873.4894 1964.8548 120.2870 2.5628 -1089.2242 0.0000 0.0000 2672.7227 6211.1655 295.2097 3538.4428 6239.8681 299.3251 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: 832.8, 0.00392466/step Wall: 832.8, 0.00392466/step, 2.50197 hours remaining, 110.703125 MB of memory in use. ENERGY: 205000 672.4239 1871.4836 1953.8775 105.4311 2.3774 -1071.6945 0.0000 0.0000 2661.9541 6195.8531 294.0202 3533.8990 6229.8984 298.0717 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: 833.584, 0.00392357/step Wall: 833.584, 0.00392357/step, 2.50105 hours remaining, 110.703125 MB of memory in use. ENERGY: 205200 630.9121 1827.4024 1934.0139 120.3236 2.6596 -1102.9023 0.0000 0.0000 2773.4216 6185.8309 306.3321 3412.4092 6220.9816 298.8808 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: 834.369, 0.00392383/step Wall: 834.369, 0.00392383/step, 2.50101 hours remaining, 110.703125 MB of memory in use. ENERGY: 205400 649.6029 1823.7667 1967.1015 114.6400 2.2647 -1069.3274 0.0000 0.0000 2722.2215 6210.2699 300.6769 3488.0484 6244.3187 300.6048 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: 835.153, 0.00391847/step Wall: 835.153, 0.00391847/step, 2.49737 hours remaining, 110.703125 MB of memory in use. ENERGY: 205600 676.3502 1888.3822 1919.8100 105.4063 2.7996 -1067.1296 0.0000 0.0000 2761.2331 6286.8517 304.9859 3525.6186 6320.5495 302.2064 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: 835.939, 0.00393145/step Wall: 835.939, 0.00393145/step, 2.50543 hours remaining, 110.703125 MB of memory in use. ENERGY: 205800 700.1658 1895.1609 1957.4190 116.6082 2.5901 -1108.6147 0.0000 0.0000 2755.0332 6318.3625 304.3011 3563.3293 6348.8691 305.0843 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: 836.724, 0.00392238/step Wall: 836.724, 0.00392238/step, 2.49942 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 206000 679.1531 1851.6348 1963.7868 121.1247 2.0093 -1070.1884 0.0000 0.0000 2797.8445 6345.3648 309.0297 3547.5203 6378.6618 307.2687 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: 837.508, 0.00392208/step Wall: 837.508, 0.00392208/step, 2.49902 hours remaining, 110.703125 MB of memory in use. ENERGY: 206200 693.1535 1868.3919 1959.6999 102.4162 3.3152 -1054.6719 0.0000 0.0000 2734.3333 6306.6381 302.0147 3572.3048 6340.6391 305.7562 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: 838.291, 0.00391716/step Wall: 838.291, 0.00391716/step, 2.49567 hours remaining, 110.703125 MB of memory in use. ENERGY: 206400 650.0620 1883.7113 1973.0913 101.5705 3.5270 -1090.9716 0.0000 0.0000 2716.0177 6237.0081 299.9917 3520.9904 6270.7049 302.9499 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: 839.076, 0.00392264/step Wall: 839.076, 0.00392264/step, 2.49894 hours remaining, 110.703125 MB of memory in use. ENERGY: 206600 659.0113 1908.2491 1960.6137 105.4001 1.7805 -1118.6489 0.0000 0.0000 2685.1063 6201.5121 296.5775 3516.4058 6231.7679 300.2681 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: 839.861, 0.0039234/step Wall: 839.861, 0.0039234/step, 2.4992 hours remaining, 110.703125 MB of memory in use. ENERGY: 206800 637.0192 1891.0358 1964.9654 108.2660 3.2893 -1110.1237 0.0000 0.0000 2713.6202 6208.0720 299.7269 3494.4518 6240.9169 299.9658 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: 840.645, 0.0039227/step Wall: 840.645, 0.00392271/step, 2.49855 hours remaining, 110.703125 MB of memory in use. ENERGY: 207000 667.8743 1856.6593 1966.7608 104.1705 2.1493 -1131.4190 0.0000 0.0000 2749.6978 6215.8930 303.7118 3466.1952 6251.1858 301.2036 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: 841.43, 0.0039238/step Wall: 841.43, 0.0039238/step, 2.49902 hours remaining, 110.703125 MB of memory in use. ENERGY: 207200 681.5390 1848.4743 1952.8845 104.4907 1.7700 -1095.0779 0.0000 0.0000 2738.3850 6232.4654 302.4622 3494.0805 6266.0118 301.0336 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: 842.214, 0.00391883/step Wall: 842.214, 0.00391883/step, 2.49564 hours remaining, 110.703125 MB of memory in use. ENERGY: 207400 658.1526 1863.7875 1968.7297 110.5732 2.1333 -1081.1768 0.0000 0.0000 2703.2340 6225.4335 298.5797 3522.1995 6260.3469 300.0437 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: 842.998, 0.00392321/step Wall: 842.998, 0.00392321/step, 2.49821 hours remaining, 110.703125 MB of memory in use. ENERGY: 207600 654.9884 1810.1650 1944.1598 106.6510 3.1893 -1072.6288 0.0000 0.0000 2728.5162 6175.0409 301.3722 3446.5247 6209.2944 299.2248 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: 843.818, 0.00409746/step Wall: 843.818, 0.00409746/step, 2.60894 hours remaining, 110.703125 MB of memory in use. ENERGY: 207800 662.0151 1832.7825 1955.0388 112.5641 2.4029 -1098.4359 0.0000 0.0000 2654.0569 6120.4244 293.1480 3466.3675 6150.4078 296.8580 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: 844.605, 0.00393557/step Wall: 844.605, 0.00393557/step, 2.50565 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 208000 646.3293 1899.3543 1909.2324 108.2624 1.5677 -1105.4327 0.0000 0.0000 2645.5994 6104.9129 292.2138 3459.3135 6136.4522 293.8956 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: 845.39, 0.00392677/step Wall: 845.39, 0.00392677/step, 2.49983 hours remaining, 110.703125 MB of memory in use. ENERGY: 208200 624.5019 1899.1635 1940.0034 121.4269 -0.0301 -1129.9677 0.0000 0.0000 2662.4878 6117.5856 294.0792 3455.0978 6151.6072 294.6168 LDB: ============= START OF LOAD BALANCING ============== 848.091 LDB: ============== END OF LOAD BALANCING =============== 848.091 LDB: =============== DONE WITH MIGRATION ================ 848.092 LDB: ============= START OF LOAD BALANCING ============== 848.484 LDB: ============== END OF LOAD BALANCING =============== 848.484 LDB: =============== DONE WITH MIGRATION ================ 848.484 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: 846.175, 0.00392627/step Wall: 846.175, 0.00392627/step, 2.49929 hours remaining, 110.703125 MB of memory in use. ENERGY: 208400 654.3656 1856.6971 1924.3928 108.1644 0.7783 -1119.7612 0.0000 0.0000 2680.8176 6105.4545 296.1038 3424.6369 6139.4163 294.7766 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: 846.96, 0.00392468/step Wall: 846.96, 0.00392468/step, 2.49806 hours remaining, 110.703125 MB of memory in use. ENERGY: 208600 639.8452 1843.7281 1939.3103 115.0606 0.9118 -1102.8460 0.0000 0.0000 2712.3746 6148.3845 299.5893 3436.0099 6181.3988 295.8364 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: 847.745, 0.00392336/step Wall: 847.745, 0.00392336/step, 2.497 hours remaining, 110.703125 MB of memory in use. ENERGY: 208800 678.9977 1852.9697 1933.5822 118.8516 1.9133 -1110.3100 0.0000 0.0000 2695.6390 6171.6435 297.7408 3476.0045 6206.3217 297.7391 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: 848.53, 0.00392501/step Wall: 848.53, 0.00392501/step, 2.49783 hours remaining, 110.703125 MB of memory in use. ENERGY: 209000 652.3061 1803.0682 1937.7185 118.2884 0.3693 -1088.4512 0.0000 0.0000 2746.4823 6169.7817 303.3566 3423.2994 6204.4536 297.3147 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: 849.314, 0.00391735/step Wall: 849.314, 0.00391735/step, 2.49274 hours remaining, 110.703125 MB of memory in use. ENERGY: 209200 650.2271 1844.2643 1965.8532 119.5137 0.2064 -1138.1065 0.0000 0.0000 2688.8427 6130.8009 296.9902 3441.9582 6165.9080 296.7992 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: 850.098, 0.00392199/step Wall: 850.098, 0.00392199/step, 2.49548 hours remaining, 110.703125 MB of memory in use. ENERGY: 209400 655.1434 1820.3177 1951.2853 103.1682 1.8294 -1114.5107 0.0000 0.0000 2698.0591 6115.2924 298.0081 3417.2333 6148.3911 295.6855 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: 850.882, 0.00392199/step Wall: 850.882, 0.00392199/step, 2.49526 hours remaining, 110.703125 MB of memory in use. ENERGY: 209600 684.1979 1813.8531 1935.8252 119.7905 2.1544 -1137.4646 0.0000 0.0000 2715.0714 6133.4280 299.8872 3418.3566 6167.3290 294.9841 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: 851.666, 0.00392031/step Wall: 851.666, 0.00392031/step, 2.49397 hours remaining, 110.703125 MB of memory in use. ENERGY: 209800 630.8758 1818.2654 1926.4264 110.1203 3.0330 -1070.4762 0.0000 0.0000 2674.6926 6092.9373 295.4272 3418.2447 6124.5679 297.1690 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: 852.451, 0.00392291/step Wall: 852.451, 0.00392291/step, 2.49541 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 210000 663.1094 1829.0594 1930.7439 114.3881 2.3126 -1094.0736 0.0000 0.0000 2661.6877 6107.2275 293.9908 3445.5399 6139.7852 292.5824 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 210000 WRITING COORDINATES TO DCD FILE MD.1.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: 855.881, 0.0171519/step Wall: 855.881, 0.0171519/step, 10.9096 hours remaining, 110.703125 MB of memory in use. ENERGY: 210200 608.7573 1821.2233 1945.2642 110.4836 2.3430 -1094.3001 0.0000 0.0000 2717.8286 6111.6000 300.1917 3393.7714 6145.5606 294.4567 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: 856.666, 0.00392333/step Wall: 856.666, 0.00392333/step, 2.49524 hours remaining, 110.703125 MB of memory in use. ENERGY: 210400 646.0002 1794.6501 1953.1194 116.7847 0.7500 -1112.3890 0.0000 0.0000 2733.1334 6132.0488 301.8822 3398.9154 6162.0381 295.2145 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: 857.451, 0.00392347/step Wall: 857.451, 0.00392347/step, 2.49511 hours remaining, 110.703125 MB of memory in use. ENERGY: 210600 631.2661 1821.7931 1936.8602 110.8945 1.4207 -1090.5028 0.0000 0.0000 2722.2845 6134.0163 300.6839 3411.7318 6168.2234 297.0728 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: 858.234, 0.00391772/step Wall: 858.234, 0.00391772/step, 2.49123 hours remaining, 110.703125 MB of memory in use. ENERGY: 210800 653.1276 1814.2908 1967.3337 102.6799 2.2387 -1090.3913 0.0000 0.0000 2685.1664 6134.4459 296.5841 3449.2794 6167.9437 294.3901 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: 859.019, 0.00392233/step Wall: 859.019, 0.00392233/step, 2.49395 hours remaining, 110.703125 MB of memory in use. ENERGY: 211000 650.7126 1857.0943 1954.2132 101.9074 -0.0572 -1104.1827 0.0000 0.0000 2649.7127 6109.4004 292.6681 3459.6877 6141.9936 296.0317 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: 859.803, 0.00392156/step Wall: 859.803, 0.00392156/step, 2.49324 hours remaining, 110.703125 MB of memory in use. ENERGY: 211200 661.8845 1805.4618 1969.1623 112.6522 1.6085 -1086.5012 0.0000 0.0000 2614.0403 6078.3085 288.7280 3464.2682 6111.1560 292.8649 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: 860.588, 0.00392289/step Wall: 860.588, 0.00392289/step, 2.49387 hours remaining, 110.703125 MB of memory in use. ENERGY: 211400 654.1915 1792.0743 1932.1985 97.6317 1.5851 -1062.4240 0.0000 0.0000 2666.0051 6081.2623 294.4677 3415.2572 6115.7949 291.4852 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: 861.371, 0.00391825/step Wall: 861.371, 0.00391825/step, 2.4907 hours remaining, 110.703125 MB of memory in use. ENERGY: 211600 653.2662 1792.8420 1963.6370 106.6288 0.7200 -1082.6808 0.0000 0.0000 2649.5099 6083.9231 292.6457 3434.4132 6115.5300 294.3349 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: 862.156, 0.00392126/step Wall: 862.156, 0.00392126/step, 2.49239 hours remaining, 110.703125 MB of memory in use. ENERGY: 211800 645.1561 1845.5412 1942.3575 118.1017 2.7972 -1058.8720 0.0000 0.0000 2658.4432 6153.5249 293.6325 3495.0817 6184.1850 294.5983 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: 862.94, 0.00392152/step Wall: 862.94, 0.00392152/step, 2.49235 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 212000 664.7139 1839.9885 1969.1401 109.2241 1.1181 -1092.3011 0.0000 0.0000 2672.4705 6164.3539 295.1818 3491.8834 6198.1250 296.9365 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: 863.724, 0.0039226/step Wall: 863.724, 0.0039226/step, 2.49281 hours remaining, 110.703125 MB of memory in use. ENERGY: 212200 651.6386 1828.2143 1950.7789 109.5079 1.4885 -1090.8144 0.0000 0.0000 2699.3943 6150.2080 298.1556 3450.8137 6184.0846 297.0248 LDB: ============= START OF LOAD BALANCING ============== 866.425 LDB: ============== END OF LOAD BALANCING =============== 866.425 LDB: =============== DONE WITH MIGRATION ================ 866.425 LDB: ============= START OF LOAD BALANCING ============== 866.819 LDB: ============== END OF LOAD BALANCING =============== 866.819 LDB: =============== DONE WITH MIGRATION ================ 866.819 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: 864.51, 0.00392747/step Wall: 864.51, 0.00392747/step, 2.49569 hours remaining, 110.703125 MB of memory in use. ENERGY: 212400 638.1757 1847.8369 1943.5737 107.7488 0.9427 -1090.1244 0.0000 0.0000 2681.6380 6129.7914 296.1944 3448.1534 6161.0013 296.7116 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: 865.294, 0.00391855/step Wall: 865.294, 0.00391855/step, 2.4898 hours remaining, 110.703125 MB of memory in use. ENERGY: 212600 655.7219 1853.0218 1947.0696 115.9923 0.6828 -1082.9669 0.0000 0.0000 2661.6450 6151.1665 293.9861 3489.5215 6181.3587 294.5095 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: 866.078, 0.00392382/step Wall: 866.078, 0.00392382/step, 2.49293 hours remaining, 110.703125 MB of memory in use. ENERGY: 212800 698.3447 1848.0958 1947.9350 113.9794 1.6415 -1091.7273 0.0000 0.0000 2702.1758 6220.4449 298.4628 3518.2691 6252.7349 299.6257 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: 866.863, 0.00392402/step Wall: 866.863, 0.00392402/step, 2.49284 hours remaining, 110.703125 MB of memory in use. ENERGY: 213000 633.5248 1871.7500 1955.0223 106.3488 2.3275 -1086.0960 0.0000 0.0000 2760.8934 6243.7708 304.9484 3482.8774 6278.8299 300.2258 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: 867.648, 0.00392347/step Wall: 867.648, 0.00392347/step, 2.49228 hours remaining, 110.703125 MB of memory in use. ENERGY: 213200 646.2589 1829.8494 1950.1798 107.3757 1.7340 -1082.9955 0.0000 0.0000 2769.3640 6221.7664 305.8840 3452.4024 6259.9838 301.6102 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: 868.433, 0.00392411/step Wall: 868.433, 0.00392411/step, 2.49246 hours remaining, 110.703125 MB of memory in use. ENERGY: 213400 642.7122 1838.3248 1935.7952 104.6061 1.6087 -1072.6967 0.0000 0.0000 2698.7524 6149.1028 298.0847 3450.3503 6182.9365 299.0417 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: 869.216, 0.00391724/step Wall: 869.216, 0.00391724/step, 2.48789 hours remaining, 110.703125 MB of memory in use. ENERGY: 213600 645.9031 1872.8423 1946.4399 103.5457 -0.2849 -1109.1536 0.0000 0.0000 2677.5251 6136.8176 295.7401 3459.2925 6168.5331 295.9327 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: 870.001, 0.00392263/step Wall: 870.001, 0.00392263/step, 2.49109 hours remaining, 110.703125 MB of memory in use. ENERGY: 213800 666.4283 1874.6221 1941.8593 111.2065 0.1796 -1111.0612 0.0000 0.0000 2693.8720 6177.1066 297.5457 3483.2346 6210.3666 296.4559 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: 870.785, 0.00392196/step Wall: 870.785, 0.00392196/step, 2.49044 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 214000 654.0885 1884.6355 1928.7605 111.6737 1.4291 -1043.4144 0.0000 0.0000 2664.6714 6201.8443 294.3204 3537.1729 6232.4156 297.4480 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: 871.569, 0.00392222/step Wall: 871.569, 0.00392222/step, 2.49039 hours remaining, 110.703125 MB of memory in use. ENERGY: 214200 685.9132 1892.3187 1952.5779 99.9020 0.9618 -1072.6119 0.0000 0.0000 2690.0789 6249.1406 297.1267 3559.0617 6282.4135 300.7835 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: 872.353, 0.00391681/step Wall: 872.353, 0.00391681/step, 2.48674 hours remaining, 110.703125 MB of memory in use. ENERGY: 214400 647.0848 1843.3077 1974.9607 112.5204 0.7166 -1099.1988 0.0000 0.0000 2730.7341 6210.1255 301.6172 3479.3914 6242.8442 301.8491 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: 873.137, 0.00392106/step Wall: 873.137, 0.00392106/step, 2.48922 hours remaining, 110.703125 MB of memory in use. ENERGY: 214600 651.1622 1833.0044 1965.2029 105.3478 1.9721 -1039.6003 0.0000 0.0000 2697.0516 6214.1405 297.8969 3517.0889 6248.0193 301.0964 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: 873.921, 0.00392143/step Wall: 873.921, 0.00392143/step, 2.48924 hours remaining, 110.703125 MB of memory in use. ENERGY: 214800 655.6368 1843.6704 1940.9891 107.5579 0.9328 -1065.3226 0.0000 0.0000 2757.4935 6240.9578 304.5728 3483.4643 6275.4644 300.8794 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: 874.706, 0.00392128/step Wall: 874.706, 0.00392128/step, 2.48892 hours remaining, 110.703125 MB of memory in use. ENERGY: 215000 651.7151 1858.0923 1979.3177 98.6377 1.2061 -1063.1242 0.0000 0.0000 2677.2575 6203.1022 295.7105 3525.8447 6236.4324 298.5410 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: 875.492, 0.00393253/step Wall: 875.492, 0.00393253/step, 2.49585 hours remaining, 110.703125 MB of memory in use. ENERGY: 215200 638.8331 1846.6527 1986.8703 92.2065 1.4055 -1070.3095 0.0000 0.0000 2731.3329 6226.9915 301.6833 3495.6586 6260.2308 299.2018 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: 876.275, 0.00391693/step Wall: 876.275, 0.00391693/step, 2.48573 hours remaining, 110.703125 MB of memory in use. ENERGY: 215400 616.3891 1839.5757 1949.8969 114.9139 2.1647 -1079.5742 0.0000 0.0000 2719.0429 6162.4090 300.3259 3443.3662 6193.9795 299.9858 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: 877.06, 0.00392331/step Wall: 877.06, 0.00392331/step, 2.48956 hours remaining, 110.703125 MB of memory in use. ENERGY: 215600 612.9602 1873.9207 1941.1319 108.0110 1.8652 -1079.7594 0.0000 0.0000 2696.2940 6154.4235 297.8132 3458.1296 6184.1163 297.4544 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: 877.844, 0.00392172/step Wall: 877.844, 0.00392172/step, 2.48833 hours remaining, 110.703125 MB of memory in use. ENERGY: 215800 676.6131 1864.2299 1895.4808 104.0228 1.8639 -1052.8684 0.0000 0.0000 2672.5196 6161.8617 295.1872 3489.3421 6194.9401 295.7846 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: 882.365, 0.0226025/step Wall: 882.365, 0.0226025/step, 14.3401 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 216000 646.3198 1841.7370 1937.4642 106.3191 2.1216 -1028.7946 0.0000 0.0000 2688.3147 6193.4819 296.9319 3505.1672 6226.8090 298.4700 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: 883.174, 0.00404446/step Wall: 883.174, 0.00404446/step, 2.56576 hours remaining, 110.703125 MB of memory in use. ENERGY: 216200 653.3437 1816.4867 1943.2951 107.7237 0.5507 -1060.2028 0.0000 0.0000 2735.9243 6197.1216 302.1905 3461.1972 6232.3035 299.9191 LDB: ============= START OF LOAD BALANCING ============== 885.876 LDB: ============== END OF LOAD BALANCING =============== 885.876 LDB: =============== DONE WITH MIGRATION ================ 885.876 LDB: ============= START OF LOAD BALANCING ============== 886.268 LDB: ============== END OF LOAD BALANCING =============== 886.268 LDB: =============== DONE WITH MIGRATION ================ 886.268 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: 883.959, 0.003927/step Wall: 883.959, 0.003927/step, 2.49103 hours remaining, 110.703125 MB of memory in use. ENERGY: 216400 642.7177 1854.8771 1959.2510 103.9568 0.8522 -1066.3505 0.0000 0.0000 2738.5844 6233.8887 302.4843 3495.3043 6266.0373 302.3680 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: 884.744, 0.00392185/step Wall: 884.744, 0.00392185/step, 2.48754 hours remaining, 110.703125 MB of memory in use. ENERGY: 216600 658.4837 1787.1152 1956.3594 103.7976 0.0924 -1024.1523 0.0000 0.0000 2728.3153 6210.0112 301.3500 3481.6959 6242.4010 300.7082 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: 885.528, 0.00392214/step Wall: 885.528, 0.00392214/step, 2.48751 hours remaining, 110.703125 MB of memory in use. ENERGY: 216800 633.6632 1903.1927 1964.2561 111.6628 0.3327 -1052.3563 0.0000 0.0000 2685.1733 6245.9246 296.5849 3560.7513 6277.8714 299.4805 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: 886.312, 0.00391752/step Wall: 886.312, 0.00391752/step, 2.48436 hours remaining, 110.703125 MB of memory in use. ENERGY: 217000 645.3917 1878.3133 1959.2553 103.2603 1.9013 -1069.7642 0.0000 0.0000 2658.8725 6177.2302 293.6799 3518.3577 6207.2883 300.1417 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: 887.096, 0.00392159/step Wall: 887.096, 0.00392159/step, 2.48673 hours remaining, 110.703125 MB of memory in use. ENERGY: 217200 648.0289 1821.2862 1958.3801 96.9944 1.2774 -1067.4701 0.0000 0.0000 2711.0239 6169.5209 299.4401 3458.4970 6199.7524 297.6988 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: 887.88, 0.00392237/step Wall: 887.88, 0.00392237/step, 2.487 hours remaining, 110.703125 MB of memory in use. ENERGY: 217400 647.1989 1870.7969 1917.6695 101.5334 1.7964 -1071.3423 0.0000 0.0000 2723.6848 6191.3376 300.8386 3467.6528 6221.3409 297.4459 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: 888.665, 0.00392309/step Wall: 888.665, 0.00392309/step, 2.48724 hours remaining, 110.703125 MB of memory in use. ENERGY: 217600 635.5969 1856.4845 1939.1841 107.6370 2.7368 -1040.9002 0.0000 0.0000 2709.6168 6210.3559 299.2847 3500.7391 6242.9162 299.6973 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: 889.448, 0.00391703/step Wall: 889.448, 0.00391703/step, 2.48318 hours remaining, 110.703125 MB of memory in use. ENERGY: 217800 646.3145 1845.2032 1933.4348 111.6196 1.1799 -1063.3688 0.0000 0.0000 2739.5407 6213.9240 302.5899 3474.3833 6246.9329 300.9012 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: 890.233, 0.00392113/step Wall: 890.233, 0.00392112/step, 2.48556 hours remaining, 110.703125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 218000 649.8262 1866.3839 1968.6754 97.1915 1.3411 -1093.1967 0.0000 0.0000 2685.5691 6175.7904 296.6286 3490.2213 6207.0285 301.4274 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: 891.017, 0.00392338/step Wall: 891.017, 0.00392339/step, 2.48677 hours remaining, 110.703125 MB of memory in use. ENERGY: 218200 703.4797 1854.9510 1967.9600 112.8661 1.1198 -1126.9416 0.0000 0.0000 2646.0409 6159.4760 292.2626 3513.4351 6188.1848 297.6840 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: 891.802, 0.00392339/step Wall: 891.802, 0.00392339/step, 2.48656 hours remaining, 110.703125 MB of memory in use. ENERGY: 218400 650.3844 1829.2301 1959.2328 100.2846 0.4494 -1092.1500 0.0000 0.0000 2679.8712 6127.3025 295.9992 3447.4313 6159.7578 297.2016 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: 892.586, 0.00392211/step Wall: 892.586, 0.00392211/step, 2.48553 hours remaining, 110.703125 MB of memory in use. ENERGY: 218600 668.5346 1804.6579 1990.4812 118.9248 1.0461 -1117.5295 0.0000 0.0000 2688.7080 6154.8231 296.9753 3466.1151 6188.7374 296.7642 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: 893.37, 0.00391583/step Wall: 893.37, 0.00391583/step, 2.48133 hours remaining, 110.703125 MB of memory in use. ENERGY: 218800 666.1639 1786.9967 1953.5626 118.9238 1.0892 -1095.8418 0.0000 0.0000 2745.0680 6175.9624 303.2004 3430.8944 6214.8773 298.1196 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: 894.154, 0.00392003/step Wall: 894.154, 0.00392003/step, 2.48377 hours remaining, 110.703125 MB of memory in use. ENERGY: 219000 651.0750 1795.5769 1958.3630 105.1282 0.2229 -1087.9043 0.0000 0.0000 2722.5358 6144.9976 300.7117 3422.4619 6180.9104 298.7691 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: 894.938, 0.00392275/step Wall: 894.938, 0.00392275/step, 2.48528 hours remaining, 110.703125 MB of memory in use. ENERGY: 219200 644.2340 1853.8887 1951.1620 109.6509 0.4356 -1071.0606 0.0000 0.0000 2680.1219 6168.4326 296.0269 3488.3107 6201.6030 298.5038 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: 895.723, 0.00392235/step Wall: 895.723, 0.00392235/step, 2.48481 hours remaining, 110.703125 MB of memory in use. ENERGY: 219400 632.2975 1890.3020 1950.4104 107.0173 0.7770 -1104.1387 0.0000 0.0000 2697.8866 6174.5521 297.9891 3476.6655 6209.4986 298.2800 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: 896.507, 0.00392149/step Wall: 896.507, 0.00392149/step, 2.48405 hours remaining, 110.703125 MB of memory in use. ENERGY: 219600 669.0138 1824.4317 1925.6572 97.8201 2.5741 -1045.1248 0.0000 0.0000 2721.3281 6195.7003 300.5783 3474.3722 6229.3492 298.3772 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: 897.29, 0.00391656/step Wall: 897.29, 0.00391656/step, 2.4807 hours remaining, 110.703125 MB of memory in use. ENERGY: 219800 661.7535 1869.4155 1963.1834 112.2540 2.0975 -1103.6529 0.0000 0.0000 2714.4455 6219.4966 299.8181 3505.0511 6249.9144 300.5107 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: 898.075, 0.00392384/step Wall: 898.075, 0.00392384/step, 2.4851 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 220000 660.3561 1884.8009 1938.0223 113.1410 1.1946 -1080.9052 0.0000 0.0000 2710.4197 6227.0294 299.3734 3516.6097 6259.2356 300.8922 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 220000 WRITING COORDINATES TO DCD FILE MD.1.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: 898.895, 0.00410006/step Wall: 898.895, 0.00410006/step, 2.59647 hours remaining, 110.789062 MB of memory in use. ENERGY: 220200 623.6153 1895.6505 1952.5783 118.8372 1.4276 -1070.8391 0.0000 0.0000 2707.0343 6228.3042 298.9995 3521.2698 6259.6131 302.3576 LDB: ============= START OF LOAD BALANCING ============== 901.596 LDB: ============== END OF LOAD BALANCING =============== 901.596 LDB: =============== DONE WITH MIGRATION ================ 901.596 LDB: ============= START OF LOAD BALANCING ============== 901.989 LDB: ============== END OF LOAD BALANCING =============== 901.99 LDB: =============== DONE WITH MIGRATION ================ 901.99 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: 899.681, 0.00392791/step Wall: 899.681, 0.0039279/step, 2.48724 hours remaining, 110.789062 MB of memory in use. ENERGY: 220400 652.1547 1911.1625 1938.0884 115.0341 1.4872 -1118.1578 0.0000 0.0000 2713.4310 6213.2001 299.7060 3499.7691 6245.5254 300.9252 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: 900.464, 0.00391908/step Wall: 900.464, 0.00391909/step, 2.48143 hours remaining, 110.789062 MB of memory in use. ENERGY: 220600 650.7364 1911.0686 1944.0866 110.4492 1.3986 -1078.3508 0.0000 0.0000 2686.3288 6225.7174 296.7125 3539.3886 6255.7715 302.0401 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: 901.251, 0.00393452/step Wall: 901.251, 0.00393452/step, 2.49099 hours remaining, 110.789062 MB of memory in use. ENERGY: 220800 679.0746 1815.4089 1966.0535 115.2883 2.2189 -1080.1108 0.0000 0.0000 2720.7143 6218.6478 300.5105 3497.9335 6252.1515 299.9387 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: 902.037, 0.00392988/step Wall: 902.037, 0.00392988/step, 2.48783 hours remaining, 110.789062 MB of memory in use. ENERGY: 221000 649.1430 1869.8094 1938.4601 107.8580 1.2626 -1044.5984 0.0000 0.0000 2671.0578 6192.9924 295.0258 3521.9346 6225.6272 297.7530 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: 902.822, 0.00392595/step Wall: 902.822, 0.00392595/step, 2.48513 hours remaining, 110.789062 MB of memory in use. ENERGY: 221200 669.4727 1839.9273 1958.3768 110.1177 1.2318 -1077.1115 0.0000 0.0000 2724.8672 6226.8820 300.9692 3502.0149 6259.0565 300.0630 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: 903.607, 0.00392137/step Wall: 903.607, 0.00392137/step, 2.48201 hours remaining, 110.789062 MB of memory in use. ENERGY: 221400 681.1006 1872.9535 1945.6445 112.7738 1.0290 -1074.4600 0.0000 0.0000 2706.6757 6245.7171 298.9599 3539.0414 6277.0348 299.1045 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: 904.39, 0.00391774/step Wall: 904.39, 0.00391773/step, 2.47949 hours remaining, 110.789062 MB of memory in use. ENERGY: 221600 648.9769 1822.6319 1945.7310 111.7918 0.7185 -1054.4968 0.0000 0.0000 2734.8952 6210.2485 302.0768 3475.3534 6246.3307 299.5977 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: 905.175, 0.0039259/step Wall: 905.175, 0.00392591/step, 2.48444 hours remaining, 110.789062 MB of memory in use. ENERGY: 221800 652.9340 1849.9194 1933.7265 115.1553 1.1775 -1079.6687 0.0000 0.0000 2724.5743 6197.8184 300.9368 3473.2441 6231.3177 300.1621 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: 905.961, 0.00392832/step Wall: 905.961, 0.00392832/step, 2.48575 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 222000 635.7682 1869.8967 1977.2957 101.7913 -0.2401 -1085.1737 0.0000 0.0000 2738.8297 6238.1677 302.5114 3499.3380 6269.8087 300.8060 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: 906.746, 0.00392494/step Wall: 906.746, 0.00392494/step, 2.4834 hours remaining, 110.789062 MB of memory in use. ENERGY: 222200 673.9540 1785.5944 1946.8657 114.8892 -0.2993 -1079.9292 0.0000 0.0000 2770.8479 6211.9227 306.0479 3441.0748 6249.4233 300.9535 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: 907.531, 0.00392408/step Wall: 907.531, 0.00392408/step, 2.48263 hours remaining, 110.789062 MB of memory in use. ENERGY: 222400 649.8441 1868.1811 1939.4138 114.4881 -0.3152 -1089.4394 0.0000 0.0000 2727.9443 6210.1169 301.3090 3482.1726 6244.3027 300.5597 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: 908.314, 0.00391746/step Wall: 908.314, 0.00391746/step, 2.47823 hours remaining, 110.789062 MB of memory in use. ENERGY: 222600 683.1066 1866.6523 1915.3456 101.7687 0.6131 -1137.1621 0.0000 0.0000 2738.7208 6169.0449 302.4993 3430.3241 6204.1009 300.7728 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: 909.099, 0.00392318/step Wall: 909.099, 0.00392318/step, 2.48163 hours remaining, 110.789062 MB of memory in use. ENERGY: 222800 663.3490 1845.6271 1968.1386 117.0193 0.9307 -1115.5007 0.0000 0.0000 2682.8539 6162.4177 296.3287 3479.5639 6195.3657 298.1937 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: 909.883, 0.00392099/step Wall: 909.883, 0.00392099/step, 2.48003 hours remaining, 110.789062 MB of memory in use. ENERGY: 223000 666.8182 1825.9719 1961.6314 112.4959 1.4115 -1073.4595 0.0000 0.0000 2662.5644 6157.4338 294.0877 3494.8694 6190.6537 297.5369 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: 910.668, 0.00392207/step Wall: 910.668, 0.00392207/step, 2.48049 hours remaining, 110.789062 MB of memory in use. ENERGY: 223200 685.6191 1826.7180 1952.8768 106.4545 0.5036 -1070.1979 0.0000 0.0000 2731.2953 6233.2694 301.6792 3501.9740 6264.2500 299.9189 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: 911.451, 0.00391663/step Wall: 911.451, 0.00391663/step, 2.47683 hours remaining, 110.789062 MB of memory in use. ENERGY: 223400 637.0954 1837.3806 1952.1854 103.2125 0.8291 -1050.7837 0.0000 0.0000 2708.2136 6188.1331 299.1297 3479.9194 6222.1022 300.4797 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: 912.235, 0.00392223/step Wall: 912.235, 0.00392223/step, 2.48016 hours remaining, 110.789062 MB of memory in use. ENERGY: 223600 648.8790 1834.1461 1967.5306 98.0170 1.0889 -1078.7470 0.0000 0.0000 2703.5396 6174.4543 298.6135 3470.9147 6206.3821 299.7584 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: 913.02, 0.00392424/step Wall: 913.02, 0.00392424/step, 2.48121 hours remaining, 110.789062 MB of memory in use. ENERGY: 223800 638.7049 1851.0431 1982.6451 105.2102 1.3726 -1089.1807 0.0000 0.0000 2669.1482 6158.9434 294.8149 3489.7951 6187.3527 296.8154 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: 913.805, 0.00392408/step Wall: 913.805, 0.00392408/step, 2.48089 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 224000 663.8499 1854.8152 1953.8677 107.4040 1.9295 -1108.6496 0.0000 0.0000 2667.3384 6140.5551 294.6150 3473.2167 6171.6571 296.5875 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: 914.59, 0.00392528/step Wall: 914.59, 0.00392528/step, 2.48143 hours remaining, 110.789062 MB of memory in use. ENERGY: 224200 619.7713 1835.0578 1960.1012 113.0645 0.6872 -1077.4259 0.0000 0.0000 2658.9845 6110.2406 293.6922 3451.2561 6140.2629 295.6071 LDB: ============= START OF LOAD BALANCING ============== 917.291 LDB: ============== END OF LOAD BALANCING =============== 917.291 LDB: =============== DONE WITH MIGRATION ================ 917.291 LDB: ============= START OF LOAD BALANCING ============== 917.684 LDB: ============== END OF LOAD BALANCING =============== 917.684 LDB: =============== DONE WITH MIGRATION ================ 917.684 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: 915.375, 0.00392294/step Wall: 915.375, 0.00392294/step, 2.47973 hours remaining, 110.789062 MB of memory in use. ENERGY: 224400 649.0202 1838.5187 1957.1760 107.0748 2.2268 -1092.7769 0.0000 0.0000 2651.3176 6112.5573 292.8454 3461.2397 6142.6752 295.2546 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: 916.161, 0.00392939/step Wall: 916.161, 0.00392939/step, 2.48359 hours remaining, 110.789062 MB of memory in use. ENERGY: 224600 655.5467 1830.1707 1954.7447 112.5104 3.3118 -1056.5766 0.0000 0.0000 2642.6705 6142.3781 291.8903 3499.7076 6175.5134 295.6669 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: 916.946, 0.00392505/step Wall: 916.946, 0.00392505/step, 2.48063 hours remaining, 110.789062 MB of memory in use. ENERGY: 224800 644.2209 1798.5450 1952.2445 111.8237 2.6045 -1059.5076 0.0000 0.0000 2722.7668 6172.6978 300.7372 3449.9310 6209.2131 297.9905 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: 917.731, 0.00392521/step Wall: 917.731, 0.00392521/step, 2.48051 hours remaining, 110.789062 MB of memory in use. ENERGY: 225000 653.2107 1774.4293 1936.3646 114.6294 1.0475 -1055.0051 0.0000 0.0000 2765.4601 6190.1365 305.4528 3424.6764 6225.6805 297.9738 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: 918.515, 0.0039237/step Wall: 918.515, 0.0039237/step, 2.47935 hours remaining, 110.789062 MB of memory in use. ENERGY: 225200 669.1634 1817.5563 1935.1193 94.3778 2.1061 -1039.6880 0.0000 0.0000 2698.1975 6176.8324 298.0234 3478.6348 6208.4813 297.8956 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: 919.299, 0.00391941/step Wall: 919.299, 0.00391941/step, 2.47641 hours remaining, 110.789062 MB of memory in use. ENERGY: 225400 635.4100 1889.4086 1947.3798 95.1389 2.9636 -1069.2548 0.0000 0.0000 2654.6144 6155.6605 293.2096 3501.0461 6190.7182 297.2495 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: 920.084, 0.00392352/step Wall: 920.084, 0.00392352/step, 2.47879 hours remaining, 110.789062 MB of memory in use. ENERGY: 225600 609.0840 1839.6464 1943.2601 110.7163 1.7257 -1056.9700 0.0000 0.0000 2679.3295 6126.7921 295.9394 3447.4626 6158.8369 296.3255 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: 920.869, 0.00392411/step Wall: 920.869, 0.00392411/step, 2.47895 hours remaining, 110.789062 MB of memory in use. ENERGY: 225800 642.5442 1819.5543 1954.9828 122.2429 0.3930 -1098.0221 0.0000 0.0000 2658.4719 6100.1670 293.6356 3441.6951 6132.0906 295.5828 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: 921.654, 0.0039255/step Wall: 921.654, 0.0039255/step, 2.47961 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 226000 659.4763 1825.1139 1938.4230 104.7701 1.7970 -1108.3845 0.0000 0.0000 2739.1041 6160.3000 302.5417 3421.1959 6195.5150 294.7284 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: 922.438, 0.00391863/step Wall: 922.438, 0.00391863/step, 2.47505 hours remaining, 110.789062 MB of memory in use. ENERGY: 226200 659.4300 1832.6620 1940.3480 115.2408 0.6884 -1093.5819 0.0000 0.0000 2638.9266 6093.7138 291.4768 3454.7872 6124.8510 296.2714 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: 923.222, 0.00392394/step Wall: 923.222, 0.00392394/step, 2.47819 hours remaining, 110.789062 MB of memory in use. ENERGY: 226400 679.1096 1874.5056 1934.2161 106.4066 0.6478 -1097.0809 0.0000 0.0000 2616.6396 6114.4444 289.0151 3497.8048 6146.3812 293.4526 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: 924.007, 0.00392262/step Wall: 924.007, 0.00392262/step, 2.47714 hours remaining, 110.789062 MB of memory in use. ENERGY: 226600 665.5602 1807.4775 1925.4301 121.0986 0.4227 -1077.6766 0.0000 0.0000 2665.7730 6108.0854 294.4420 3442.3125 6141.3856 292.1409 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: 924.792, 0.00392355/step Wall: 924.792, 0.00392355/step, 2.4775 hours remaining, 110.789062 MB of memory in use. ENERGY: 226800 707.4527 1804.0012 1939.6792 101.3249 1.9241 -1100.0126 0.0000 0.0000 2660.2476 6114.6171 293.8318 3454.3695 6147.0562 293.6747 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: 925.576, 0.00392375/step Wall: 925.576, 0.00392375/step, 2.47741 hours remaining, 110.789062 MB of memory in use. ENERGY: 227000 707.6900 1798.9880 1919.4194 109.0066 2.2637 -1069.8239 0.0000 0.0000 2681.8180 6149.3619 296.2143 3467.5439 6181.9758 294.6983 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: 926.36, 0.00391835/step Wall: 926.36, 0.00391835/step, 2.47379 hours remaining, 110.789062 MB of memory in use. ENERGY: 227200 618.3689 1846.9420 1938.8337 102.8672 1.5540 -1055.0528 0.0000 0.0000 2694.0961 6147.6089 297.5704 3453.5128 6179.7795 296.8529 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: 927.144, 0.00392198/step Wall: 927.144, 0.00392198/step, 2.47586 hours remaining, 110.789062 MB of memory in use. ENERGY: 227400 652.7915 1784.2892 1974.5063 109.4088 3.0813 -1115.9169 0.0000 0.0000 2695.0978 6103.2581 297.6811 3408.1602 6138.2850 296.3511 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: 927.929, 0.00392156/step Wall: 927.929, 0.00392156/step, 2.47538 hours remaining, 110.789062 MB of memory in use. ENERGY: 227600 661.3477 1852.0394 1961.7590 105.6276 2.6207 -1141.9242 0.0000 0.0000 2669.1600 6110.6303 294.8162 3441.4703 6141.7322 293.3994 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: 928.714, 0.00392429/step Wall: 928.714, 0.00392429/step, 2.47688 hours remaining, 110.789062 MB of memory in use. ENERGY: 227800 651.5225 1797.0030 1957.6228 111.2575 2.7199 -1104.9633 0.0000 0.0000 2651.3622 6066.5246 292.8503 3415.1624 6099.3559 292.2734 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: 929.497, 0.00391685/step Wall: 929.497, 0.00391684/step, 2.47196 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 228000 668.7402 1825.2517 1948.8718 105.0514 2.7599 -1123.3753 0.0000 0.0000 2664.5137 6091.8135 294.3030 3427.2998 6124.9896 293.1480 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: 930.281, 0.00392172/step Wall: 930.281, 0.00392172/step, 2.47483 hours remaining, 110.789062 MB of memory in use. ENERGY: 228200 702.4331 1858.1166 1916.1802 115.2232 2.3351 -1097.5344 0.0000 0.0000 2654.3213 6151.0750 293.1772 3496.7537 6180.1156 296.7066 LDB: ============= START OF LOAD BALANCING ============== 932.983 LDB: ============== END OF LOAD BALANCING =============== 932.983 LDB: =============== DONE WITH MIGRATION ================ 932.983 LDB: ============= START OF LOAD BALANCING ============== 933.376 LDB: ============== END OF LOAD BALANCING =============== 933.376 LDB: =============== DONE WITH MIGRATION ================ 933.376 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: 931.067, 0.00392627/step Wall: 931.067, 0.00392627/step, 2.47747 hours remaining, 110.789062 MB of memory in use. ENERGY: 228400 653.7576 1870.8191 1935.7038 95.9555 1.9050 -1065.5161 0.0000 0.0000 2665.9926 6158.6176 294.4663 3492.6249 6190.3956 296.9210 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: 931.851, 0.00392197/step Wall: 931.851, 0.00392197/step, 2.47454 hours remaining, 110.789062 MB of memory in use. ENERGY: 228600 666.6711 1858.2867 1928.1798 112.2448 1.6793 -1093.3731 0.0000 0.0000 2738.9070 6212.5957 302.5199 3473.6886 6244.5372 298.3461 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: 932.636, 0.00392358/step Wall: 932.636, 0.00392358/step, 2.47534 hours remaining, 110.789062 MB of memory in use. ENERGY: 228800 645.2191 1856.7201 1933.1743 115.7320 1.5715 -1101.8521 0.0000 0.0000 2739.4015 6189.9664 302.5745 3450.5649 6224.6214 299.7234 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: 933.419, 0.00391747/step Wall: 933.419, 0.00391747/step, 2.47127 hours remaining, 110.789062 MB of memory in use. ENERGY: 229000 647.5835 1860.5613 1959.3257 104.7400 1.9953 -1100.0017 0.0000 0.0000 2748.0999 6222.3041 303.5353 3474.2042 6255.3047 301.5242 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: 934.204, 0.0039237/step Wall: 934.204, 0.0039237/step, 2.47498 hours remaining, 110.789062 MB of memory in use. ENERGY: 229200 650.9588 1856.2386 1940.5018 105.9259 1.6248 -1038.1278 0.0000 0.0000 2706.3150 6223.4372 298.9200 3517.1222 6257.2263 300.3779 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: 934.989, 0.00392518/step Wall: 934.989, 0.00392518/step, 2.4757 hours remaining, 110.789062 MB of memory in use. ENERGY: 229400 640.5989 1843.9664 1933.8679 107.4405 2.9540 -1075.4415 0.0000 0.0000 2720.6901 6174.0763 300.5078 3453.3863 6206.9391 298.7077 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: 935.774, 0.00392631/step Wall: 935.774, 0.00392631/step, 2.4762 hours remaining, 110.789062 MB of memory in use. ENERGY: 229600 674.3739 1799.0570 1955.9227 121.3517 4.3664 -1095.2503 0.0000 0.0000 2696.5549 6156.3763 297.8420 3459.8215 6190.1867 297.1030 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: 936.56, 0.00392614/step Wall: 936.56, 0.00392614/step, 2.47587 hours remaining, 110.789062 MB of memory in use. ENERGY: 229800 669.3710 1849.5598 1949.5108 112.5949 2.9865 -1094.7349 0.0000 0.0000 2671.8270 6161.1151 295.1107 3489.2881 6192.2043 297.2093 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: 937.343, 0.00391859/step Wall: 937.343, 0.00391859/step, 2.47089 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 230000 643.7846 1794.6206 1942.9052 109.6091 2.9204 -1077.6295 0.0000 0.0000 2659.9939 6076.2044 293.8037 3416.2105 6109.8577 295.4327 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 230000 WRITING COORDINATES TO DCD FILE MD.1.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: 938.6, 0.00628252/step Wall: 938.6, 0.00628252/step, 3.96113 hours remaining, 110.789062 MB of memory in use. ENERGY: 230200 657.9794 1802.4124 1932.4601 105.9496 2.1422 -1083.7067 0.0000 0.0000 2672.1294 6089.3664 295.1441 3417.2370 6121.5840 293.1345 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: 939.383, 0.00391835/step Wall: 939.383, 0.00391835/step, 2.4703 hours remaining, 110.789062 MB of memory in use. ENERGY: 230400 669.1255 1836.7097 1946.0096 93.9916 1.7747 -1104.1640 0.0000 0.0000 2687.2255 6130.6726 296.8115 3443.4472 6165.4439 294.4752 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: 940.168, 0.00392346/step Wall: 940.168, 0.00392346/step, 2.4733 hours remaining, 110.789062 MB of memory in use. ENERGY: 230600 652.0870 1842.3471 1929.9661 92.9860 0.8308 -1069.9814 0.0000 0.0000 2699.1252 6147.3608 298.1259 3448.2356 6178.6803 297.3436 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: 940.953, 0.0039246/step Wall: 940.953, 0.0039246/step, 2.47381 hours remaining, 110.789062 MB of memory in use. ENERGY: 230800 617.8051 1836.6875 1947.6431 98.0730 1.8987 -1115.2457 0.0000 0.0000 2696.9474 6083.8091 297.8854 3386.8617 6118.0395 294.7866 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: 941.738, 0.00392378/step Wall: 941.738, 0.00392378/step, 2.47307 hours remaining, 110.789062 MB of memory in use. ENERGY: 231000 649.9648 1860.6593 1923.7820 103.6160 2.1259 -1097.2194 0.0000 0.0000 2685.5997 6128.5283 296.6320 3442.9286 6162.3291 292.6782 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: 942.521, 0.00391788/step Wall: 942.521, 0.00391788/step, 2.46913 hours remaining, 110.789062 MB of memory in use. ENERGY: 231200 701.9357 1836.3456 1951.3494 102.1610 2.0514 -1137.0522 0.0000 0.0000 2650.9005 6107.6915 292.7993 3456.7910 6138.1240 295.4435 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: 943.306, 0.00392277/step Wall: 943.306, 0.00392277/step, 2.472 hours remaining, 110.789062 MB of memory in use. ENERGY: 231400 660.3683 1853.8856 1944.1864 123.2726 1.5842 -1126.9018 0.0000 0.0000 2731.6765 6188.0719 301.7213 3456.3954 6224.2696 297.5135 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: 944.091, 0.00392424/step Wall: 944.091, 0.00392424/step, 2.47271 hours remaining, 110.789062 MB of memory in use. ENERGY: 231600 652.0687 1827.5477 1957.0677 100.8790 2.3575 -1080.5668 0.0000 0.0000 2682.1392 6141.4931 296.2498 3459.3539 6172.8679 298.9661 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: 944.876, 0.00392567/step Wall: 944.876, 0.00392567/step, 2.47339 hours remaining, 110.789062 MB of memory in use. ENERGY: 231800 688.1084 1842.9395 1940.5749 113.1201 1.4269 -1090.4221 0.0000 0.0000 2673.0295 6168.7771 295.2436 3495.7476 6200.3089 295.2014 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: 945.661, 0.00392413/step Wall: 945.661, 0.00392413/step, 2.4722 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 232000 668.9087 1862.2987 1939.7482 100.6920 1.5895 -1094.6983 0.0000 0.0000 2664.3594 6142.8982 294.2859 3478.5388 6175.0947 295.6613 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: 946.444, 0.00391899/step Wall: 946.444, 0.00391899/step, 2.46875 hours remaining, 110.789062 MB of memory in use. ENERGY: 232200 634.8571 1795.6027 1982.1661 100.8292 0.8421 -1100.8750 0.0000 0.0000 2707.3110 6120.7331 299.0300 3413.4222 6153.5172 296.3995 LDB: ============= START OF LOAD BALANCING ============== 949.147 LDB: ============== END OF LOAD BALANCING =============== 949.147 LDB: =============== DONE WITH MIGRATION ================ 949.147 LDB: ============= START OF LOAD BALANCING ============== 949.539 LDB: ============== END OF LOAD BALANCING =============== 949.539 LDB: =============== DONE WITH MIGRATION ================ 949.539 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: 947.23, 0.0039279/step Wall: 947.23, 0.0039279/step, 2.47414 hours remaining, 110.789062 MB of memory in use. ENERGY: 232400 622.0238 1767.5435 1984.0548 114.9264 0.2976 -1094.9370 0.0000 0.0000 2690.5943 6084.5035 297.1836 3393.9091 6116.9894 294.9169 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: 948.015, 0.00392429/step Wall: 948.015, 0.00392429/step, 2.47165 hours remaining, 110.789062 MB of memory in use. ENERGY: 232600 636.9350 1776.8932 1959.2902 111.6477 1.2148 -1083.3247 0.0000 0.0000 2635.1954 6037.8515 291.0647 3402.6561 6069.2369 291.5523 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: 948.801, 0.00392823/step Wall: 948.801, 0.00392823/step, 2.47391 hours remaining, 110.789062 MB of memory in use. ENERGY: 232800 636.0505 1836.6151 1946.1674 107.2336 0.3886 -1103.7803 0.0000 0.0000 2655.0769 6077.7520 293.2606 3422.6750 6108.2158 290.9435 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: 949.586, 0.00392679/step Wall: 949.586, 0.00392679/step, 2.47279 hours remaining, 110.789062 MB of memory in use. ENERGY: 233000 660.5743 1794.1447 1944.5813 116.1704 1.4068 -1067.8973 0.0000 0.0000 2635.6393 6084.6196 291.1137 3448.9803 6116.0788 292.1801 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: 950.37, 0.00391959/step Wall: 950.37, 0.00391959/step, 2.46803 hours remaining, 110.789062 MB of memory in use. ENERGY: 233200 645.7793 1782.4736 1990.4019 108.1514 -0.5894 -1075.7538 0.0000 0.0000 2625.7795 6076.2424 290.0247 3450.4630 6109.4264 291.1892 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: 951.155, 0.00392452/step Wall: 951.155, 0.00392452/step, 2.47092 hours remaining, 110.789062 MB of memory in use. ENERGY: 233400 680.2177 1830.9500 1980.6046 104.0770 1.3726 -1148.9109 0.0000 0.0000 2682.2067 6130.5178 296.2572 3448.3111 6163.5189 293.9334 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: 951.94, 0.00392672/step Wall: 951.94, 0.00392672/step, 2.47209 hours remaining, 110.789062 MB of memory in use. ENERGY: 233600 644.2700 1840.1047 1941.9470 103.4561 0.3430 -1101.6761 0.0000 0.0000 2628.3439 6056.7886 290.3079 3428.4446 6088.6451 292.7784 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: 952.725, 0.00392669/step Wall: 952.725, 0.00392669/step, 2.47185 hours remaining, 110.789062 MB of memory in use. ENERGY: 233800 644.1200 1762.8347 1960.6360 107.3089 0.4784 -1093.1747 0.0000 0.0000 2644.4144 6026.6177 292.0829 3382.2032 6057.9145 290.2340 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: 953.51, 0.00392056/step Wall: 953.51, 0.00392056/step, 2.46777 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 234000 643.2924 1803.7050 1964.8683 103.3750 2.1870 -1115.0048 0.0000 0.0000 2645.9334 6048.3564 292.2507 3402.4230 6079.4466 291.4024 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: 954.295, 0.00392717/step Wall: 954.295, 0.00392717/step, 2.47172 hours remaining, 110.789062 MB of memory in use. ENERGY: 234200 640.7729 1850.3331 1933.1307 112.4462 2.3758 -1119.7224 0.0000 0.0000 2644.9720 6064.3083 292.1445 3419.3364 6096.7275 290.7572 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: 955.081, 0.00392784/step Wall: 955.081, 0.00392784/step, 2.47192 hours remaining, 110.789062 MB of memory in use. ENERGY: 234400 631.6693 1836.2037 1942.8118 107.3260 3.0876 -1070.9154 0.0000 0.0000 2670.5987 6120.7817 294.9751 3450.1830 6151.1342 291.7117 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: 955.869, 0.00394155/step Wall: 955.869, 0.00394155/step, 2.48033 hours remaining, 110.789062 MB of memory in use. ENERGY: 234600 666.1811 1842.8404 1963.5454 96.1188 2.1227 -1064.9305 0.0000 0.0000 2672.6105 6178.4885 295.1973 3505.8780 6208.2187 295.7979 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: 956.654, 0.00392511/step Wall: 956.654, 0.00392511/step, 2.46977 hours remaining, 110.789062 MB of memory in use. ENERGY: 234800 654.1541 1812.3374 1977.3696 124.9354 0.8068 -1071.6814 0.0000 0.0000 2754.6160 6252.5380 304.2550 3497.9219 6287.9214 301.5662 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: 957.438, 0.00392022/step Wall: 957.438, 0.00392022/step, 2.46647 hours remaining, 110.789062 MB of memory in use. ENERGY: 235000 684.0338 1830.8280 1968.1656 104.2402 0.7894 -1110.8466 0.0000 0.0000 2713.7016 6190.9120 299.7359 3477.2104 6225.7219 299.3548 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: 958.223, 0.00392506/step Wall: 958.223, 0.00392506/step, 2.4693 hours remaining, 110.789062 MB of memory in use. ENERGY: 235200 653.9741 1789.5726 1995.2901 111.0233 1.0849 -1075.3285 0.0000 0.0000 2739.6160 6215.2324 302.5982 3475.6165 6246.4512 301.0872 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: 959.008, 0.00392468/step Wall: 959.008, 0.00392468/step, 2.46884 hours remaining, 110.789062 MB of memory in use. ENERGY: 235400 627.1087 1868.9886 1999.6653 118.4815 0.3423 -1118.3687 0.0000 0.0000 2703.7593 6199.9771 298.6378 3496.2177 6235.4962 298.8100 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: 959.793, 0.00392442/step Wall: 959.793, 0.00392442/step, 2.46846 hours remaining, 110.789062 MB of memory in use. ENERGY: 235600 646.8348 1842.9532 1991.4580 103.6628 2.0727 -1093.6988 0.0000 0.0000 2670.3581 6163.6407 294.9485 3493.2826 6197.0368 297.5545 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: 960.577, 0.00391896/step Wall: 960.577, 0.00391896/step, 2.46481 hours remaining, 110.789062 MB of memory in use. ENERGY: 235800 653.6511 1836.5166 1951.2853 104.9107 1.5298 -1085.0785 0.0000 0.0000 2727.3866 6190.2015 301.2474 3462.8149 6223.6908 296.5048 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: 961.361, 0.00392424/step Wall: 961.361, 0.00392424/step, 2.46791 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 236000 670.4770 1824.3230 1994.8150 106.0979 0.6127 -1099.7842 0.0000 0.0000 2675.9827 6172.5241 295.5697 3496.5415 6202.5637 298.4670 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: 962.146, 0.00392465/step Wall: 962.146, 0.00392465/step, 2.46795 hours remaining, 110.789062 MB of memory in use. ENERGY: 236200 624.3226 1873.7371 1988.2052 94.8256 2.0244 -1039.8413 0.0000 0.0000 2701.2265 6244.5001 298.3580 3543.2735 6276.7684 299.4008 LDB: ============= START OF LOAD BALANCING ============== 964.848 LDB: ============== END OF LOAD BALANCING =============== 964.848 LDB: =============== DONE WITH MIGRATION ================ 964.848 LDB: ============= START OF LOAD BALANCING ============== 965.241 LDB: ============== END OF LOAD BALANCING =============== 965.241 LDB: =============== DONE WITH MIGRATION ================ 965.241 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: 962.932, 0.00393021/step Wall: 962.932, 0.00393021/step, 2.47123 hours remaining, 110.789062 MB of memory in use. ENERGY: 236400 639.4309 1885.1984 1954.5817 109.7638 1.4639 -1072.4563 0.0000 0.0000 2710.9362 6228.9185 299.4305 3517.9824 6263.4057 300.7721 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: 963.718, 0.00392576/step Wall: 963.718, 0.00392576/step, 2.46821 hours remaining, 110.789062 MB of memory in use. ENERGY: 236600 632.4139 1818.0802 1950.9891 106.4941 2.2251 -1059.2695 0.0000 0.0000 2724.3729 6175.3059 300.9146 3450.9330 6210.1139 298.2458 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: 964.502, 0.00392296/step Wall: 964.502, 0.00392296/step, 2.46623 hours remaining, 110.789062 MB of memory in use. ENERGY: 236800 643.7595 1857.1904 1964.7708 109.7180 0.8036 -1074.5255 0.0000 0.0000 2723.9750 6225.6918 300.8706 3501.7168 6262.4324 298.2473 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: 965.289, 0.00393463/step Wall: 965.289, 0.00393463/step, 2.47335 hours remaining, 110.789062 MB of memory in use. ENERGY: 237000 633.9436 1865.0560 1968.1363 119.3944 1.4272 -1061.7579 0.0000 0.0000 2770.8499 6297.0495 306.0481 3526.1996 6334.7345 301.3170 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: 966.075, 0.00392867/step Wall: 966.075, 0.00392866/step, 2.46938 hours remaining, 110.789062 MB of memory in use. ENERGY: 237200 646.3407 1911.2298 1991.7757 97.6100 1.4318 -1055.9454 0.0000 0.0000 2765.4685 6357.9110 305.4537 3592.4426 6389.7831 304.7300 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: 966.86, 0.00392795/step Wall: 966.86, 0.00392796/step, 2.46872 hours remaining, 110.789062 MB of memory in use. ENERGY: 237400 642.4423 1849.0847 1979.8584 105.2930 1.9002 -1071.7131 0.0000 0.0000 2740.0552 6246.9207 302.6467 3506.8655 6279.7805 303.6419 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: 967.646, 0.00392761/step Wall: 967.646, 0.00392761/step, 2.46828 hours remaining, 110.789062 MB of memory in use. ENERGY: 237600 632.5741 1873.5905 1986.1162 110.5712 1.8524 -1058.4390 0.0000 0.0000 2727.3042 6273.5696 301.2383 3546.2654 6304.2852 302.9535 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: 968.431, 0.00392316/step Wall: 968.431, 0.00392316/step, 2.46527 hours remaining, 110.789062 MB of memory in use. ENERGY: 237800 664.9281 1849.6395 1972.0656 115.9782 1.1388 -1052.4459 0.0000 0.0000 2673.5326 6224.8370 295.2991 3551.3044 6257.5987 302.1747 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: 969.216, 0.0039256/step Wall: 969.216, 0.0039256/step, 2.46658 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 238000 673.4388 1864.4829 1960.6676 102.3876 1.5864 -1080.9591 0.0000 0.0000 2665.0095 6186.6137 294.3577 3521.6042 6219.0389 297.4159 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: 970.001, 0.00392776/step Wall: 970.001, 0.00392776/step, 2.46772 hours remaining, 110.789062 MB of memory in use. ENERGY: 238200 641.3127 1840.9904 1975.2658 110.3242 1.5510 -1079.2758 0.0000 0.0000 2723.8375 6214.0058 300.8554 3490.1683 6249.0382 298.0788 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: 970.786, 0.00392608/step Wall: 970.786, 0.00392608/step, 2.46645 hours remaining, 110.789062 MB of memory in use. ENERGY: 238400 628.5557 1803.1968 1972.6401 106.1951 1.5433 -1047.5913 0.0000 0.0000 2741.0615 6205.6011 302.7579 3464.5397 6239.0883 298.4920 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: 971.571, 0.00392091/step Wall: 971.571, 0.00392091/step, 2.46298 hours remaining, 110.789062 MB of memory in use. ENERGY: 238600 671.6150 1836.1252 1978.6356 111.9306 2.4891 -1076.0351 0.0000 0.0000 2664.4846 6189.2450 294.2997 3524.7604 6218.8935 299.6823 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: 972.355, 0.00392412/step Wall: 972.355, 0.00392412/step, 2.46479 hours remaining, 110.789062 MB of memory in use. ENERGY: 238800 647.3094 1828.3192 1979.3134 114.8928 0.8382 -1053.2164 0.0000 0.0000 2723.0086 6240.4652 300.7639 3517.4567 6274.0430 300.0442 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: 973.14, 0.00392472/step Wall: 973.14, 0.00392472/step, 2.46494 hours remaining, 110.789062 MB of memory in use. ENERGY: 239000 660.4014 1862.1023 1958.9227 106.2994 1.6661 -1077.1734 0.0000 0.0000 2729.3819 6241.6004 301.4678 3512.2185 6275.5054 300.7749 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: 973.925, 0.0039229/step Wall: 973.925, 0.0039229/step, 2.46358 hours remaining, 110.789062 MB of memory in use. ENERGY: 239200 650.7148 1909.1611 1950.1466 111.5613 1.4593 -1072.9077 0.0000 0.0000 2699.4399 6249.5752 298.1607 3550.1353 6283.0604 301.3305 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: 974.709, 0.00392147/step Wall: 974.709, 0.00392146/step, 2.46246 hours remaining, 110.789062 MB of memory in use. ENERGY: 239400 654.6606 1804.5251 1941.9385 118.8510 1.5263 -1042.2046 0.0000 0.0000 2757.5110 6236.8079 304.5748 3479.2969 6270.8890 301.1949 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: 975.493, 0.00391732/step Wall: 975.493, 0.00391732/step, 2.45964 hours remaining, 110.789062 MB of memory in use. ENERGY: 239600 683.2220 1883.2195 1960.8960 110.5440 1.7078 -1050.7026 0.0000 0.0000 2670.7332 6259.6199 294.9899 3588.8868 6290.0945 299.3813 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: 976.277, 0.00392274/step Wall: 976.277, 0.00392274/step, 2.46283 hours remaining, 110.789062 MB of memory in use. ENERGY: 239800 662.2256 1816.3373 1939.6092 120.2521 2.5013 -1050.7858 0.0000 0.0000 2741.3829 6231.5226 302.7934 3490.1397 6264.9751 301.0361 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: 977.062, 0.00392367/step Wall: 977.062, 0.00392367/step, 2.46319 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 240000 677.6648 1866.7271 1926.6953 105.7839 1.4416 -1048.0082 0.0000 0.0000 2662.7035 6193.0079 294.1030 3530.3044 6224.7476 300.4760 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 240000 WRITING COORDINATES TO DCD FILE MD.1.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: 977.892, 0.00414827/step Wall: 977.892, 0.00414827/step, 2.60396 hours remaining, 110.789062 MB of memory in use. ENERGY: 240200 614.8678 1794.1343 1953.8943 101.6024 1.2124 -1078.9002 0.0000 0.0000 2748.7341 6135.5452 303.6053 3386.8111 6172.6937 296.5780 LDB: ============= START OF LOAD BALANCING ============== 980.593 LDB: ============== END OF LOAD BALANCING =============== 980.593 LDB: =============== DONE WITH MIGRATION ================ 980.593 LDB: ============= START OF LOAD BALANCING ============== 980.986 LDB: ============== END OF LOAD BALANCING =============== 980.986 LDB: =============== DONE WITH MIGRATION ================ 980.986 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: 978.677, 0.00392918/step Wall: 978.677, 0.00392918/step, 2.46622 hours remaining, 110.789062 MB of memory in use. ENERGY: 240400 617.9340 1857.3104 1902.5714 107.5534 0.0809 -1018.4459 0.0000 0.0000 2701.2550 6168.2592 298.3611 3467.0042 6200.5130 295.8016 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: 979.461, 0.00391945/step Wall: 979.461, 0.00391945/step, 2.45989 hours remaining, 110.789062 MB of memory in use. ENERGY: 240600 659.8949 1862.8160 1925.7108 109.4878 1.8199 -1063.7084 0.0000 0.0000 2708.8565 6204.8776 299.2008 3496.0211 6235.8284 299.1628 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: 980.246, 0.00392336/step Wall: 980.246, 0.00392336/step, 2.46213 hours remaining, 110.789062 MB of memory in use. ENERGY: 240800 653.2435 1862.3337 1934.2203 101.5868 2.5776 -1070.7700 0.0000 0.0000 2710.6240 6193.8157 299.3960 3483.1917 6225.9852 299.6871 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: 981.031, 0.00392354/step Wall: 981.031, 0.00392354/step, 2.46202 hours remaining, 110.789062 MB of memory in use. ENERGY: 241000 655.9608 1875.8245 1945.2387 95.9014 1.7661 -1103.3230 0.0000 0.0000 2721.1722 6192.5408 300.5610 3471.3686 6228.2304 297.6976 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: 981.816, 0.00392415/step Wall: 981.816, 0.00392415/step, 2.46218 hours remaining, 110.789062 MB of memory in use. ENERGY: 241200 669.9221 1846.3680 1918.0041 98.0210 1.3609 -1074.5178 0.0000 0.0000 2673.8043 6132.9626 295.3291 3459.1583 6165.8786 297.6312 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: 982.599, 0.00391929/step Wall: 982.599, 0.00391929/step, 2.45892 hours remaining, 110.789062 MB of memory in use. ENERGY: 241400 676.5969 1875.6526 1931.2231 98.6790 2.8699 -1126.5635 0.0000 0.0000 2700.3052 6158.7632 298.2562 3458.4581 6191.6113 298.5868 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: 983.384, 0.00392372/step Wall: 983.384, 0.00392372/step, 2.46148 hours remaining, 110.789062 MB of memory in use. ENERGY: 241600 644.8541 1813.0062 1915.7568 111.8967 1.8619 -1080.2579 0.0000 0.0000 2668.6406 6075.7583 294.7588 3407.1177 6109.1766 295.3741 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: 984.169, 0.00392294/step Wall: 984.169, 0.00392294/step, 2.46077 hours remaining, 110.789062 MB of memory in use. ENERGY: 241800 650.4966 1854.6811 1922.4069 115.3784 1.6685 -1090.6022 0.0000 0.0000 2627.4083 6081.4376 290.2046 3454.0293 6112.3922 292.6112 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: 984.954, 0.00392385/step Wall: 984.954, 0.00392385/step, 2.46113 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 242000 635.5514 1801.3459 1939.7597 113.3926 2.0593 -1093.1784 0.0000 0.0000 2687.5318 6086.4624 296.8454 3398.9306 6121.5521 294.9418 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: 985.738, 0.00392361/step Wall: 985.738, 0.00392361/step, 2.46076 hours remaining, 110.789062 MB of memory in use. ENERGY: 242200 663.4012 1873.8428 1906.6103 96.7007 1.9484 -1106.5560 0.0000 0.0000 2680.8983 6116.8457 296.1127 3435.9474 6151.0053 295.1275 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: 986.522, 0.00391868/step Wall: 986.522, 0.00391868/step, 2.45745 hours remaining, 110.789062 MB of memory in use. ENERGY: 242400 648.6136 1906.4089 1942.5062 115.6072 2.9713 -1121.5867 0.0000 0.0000 2685.3404 6179.8608 296.6033 3494.5205 6212.9373 295.9404 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: 987.307, 0.00392354/step Wall: 987.307, 0.00392354/step, 2.46027 hours remaining, 110.789062 MB of memory in use. ENERGY: 242600 628.9158 1893.2391 1936.7031 104.1885 2.8909 -1093.8260 0.0000 0.0000 2776.4934 6248.6046 306.6714 3472.1112 6284.4000 301.5112 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: 988.092, 0.00392455/step Wall: 988.092, 0.00392455/step, 2.46069 hours remaining, 110.789062 MB of memory in use. ENERGY: 242800 706.6397 1848.8358 1960.8181 110.0550 1.3182 -1066.1330 0.0000 0.0000 2677.4739 6239.0077 295.7345 3561.5338 6269.0395 303.0450 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: 988.877, 0.00392562/step Wall: 988.877, 0.00392562/step, 2.46114 hours remaining, 110.789062 MB of memory in use. ENERGY: 243000 674.2498 1855.2535 1950.5396 103.2430 0.0394 -1094.0849 0.0000 0.0000 2762.8055 6252.0458 305.1596 3489.2404 6288.1193 301.8276 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: 989.662, 0.00392441/step Wall: 989.662, 0.00392441/step, 2.46017 hours remaining, 110.789062 MB of memory in use. ENERGY: 243200 674.3762 1890.8855 1951.0635 107.5746 0.8054 -1068.2054 0.0000 0.0000 2709.0229 6265.5227 299.2191 3556.4998 6295.2302 301.4868 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: 990.445, 0.00391907/step Wall: 990.445, 0.00391907/step, 2.4566 hours remaining, 110.789062 MB of memory in use. ENERGY: 243400 674.1524 1887.7272 1959.6392 98.9565 1.5116 -1100.7059 0.0000 0.0000 2811.7068 6332.9878 310.5608 3521.2810 6367.4444 306.2479 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: 991.23, 0.00392319/step Wall: 991.23, 0.00392319/step, 2.45897 hours remaining, 110.789062 MB of memory in use. ENERGY: 243600 665.3911 1889.1293 1934.7875 106.7251 -0.1804 -1072.9478 0.0000 0.0000 2772.2961 6295.2010 306.2078 3522.9049 6330.4293 306.3799 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: 992.015, 0.0039245/step Wall: 992.015, 0.0039245/step, 2.45957 hours remaining, 110.789062 MB of memory in use. ENERGY: 243800 682.1489 1810.7424 1942.1926 115.6764 1.3147 -1043.2801 0.0000 0.0000 2762.8103 6271.6051 305.1601 3508.7948 6307.4459 304.3605 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: 992.8, 0.00392522/step Wall: 992.8, 0.00392522/step, 2.4598 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 244000 631.2740 1874.7361 1943.0586 104.4450 0.6655 -1052.4967 0.0000 0.0000 2773.4350 6275.1175 306.3336 3501.6825 6307.5246 302.8038 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: 993.584, 0.003918/step Wall: 993.584, 0.003918/step, 2.45506 hours remaining, 110.789062 MB of memory in use. ENERGY: 244200 679.8694 1847.1456 1959.5293 104.6539 1.7709 -1044.3370 0.0000 0.0000 2678.6108 6227.2429 295.8600 3548.6321 6258.9428 300.5955 LDB: ============= START OF LOAD BALANCING ============== 996.286 LDB: ============== END OF LOAD BALANCING =============== 996.286 LDB: =============== DONE WITH MIGRATION ================ 996.286 LDB: ============= START OF LOAD BALANCING ============== 996.678 LDB: ============== END OF LOAD BALANCING =============== 996.678 LDB: =============== DONE WITH MIGRATION ================ 996.678 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: 994.369, 0.00392745/step Wall: 994.369, 0.00392745/step, 2.46076 hours remaining, 110.789062 MB of memory in use. ENERGY: 244400 642.6474 1857.0605 1924.4764 111.5417 1.0338 -1049.4666 0.0000 0.0000 2685.0990 6172.3923 296.5767 3487.2932 6206.8500 298.7019 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: 995.154, 0.00392379/step Wall: 995.154, 0.00392379/step, 2.45825 hours remaining, 110.789062 MB of memory in use. ENERGY: 244600 669.3212 1896.1363 1933.1437 116.4285 -1.0972 -1080.7671 0.0000 0.0000 2661.5192 6194.6846 293.9722 3533.1654 6226.3515 298.8516 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: 995.94, 0.00393263/step Wall: 995.94, 0.00393263/step, 2.46357 hours remaining, 110.789062 MB of memory in use. ENERGY: 244800 639.4319 1890.9944 1955.9722 104.9528 0.7287 -1102.9024 0.0000 0.0000 2684.1201 6173.2977 296.4685 3489.1776 6205.1559 298.3990 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: 996.725, 0.00392334/step Wall: 996.725, 0.00392334/step, 2.45754 hours remaining, 110.789062 MB of memory in use. ENERGY: 245000 699.4036 1828.6480 1932.2802 105.9924 -0.1488 -1070.3766 0.0000 0.0000 2712.3679 6208.1667 299.5886 3495.7988 6240.4831 298.9985 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: 997.509, 0.0039193/step Wall: 997.509, 0.0039193/step, 2.45479 hours remaining, 110.789062 MB of memory in use. ENERGY: 245200 677.6984 1918.0204 1917.5866 91.5689 -0.0942 -1110.2819 0.0000 0.0000 2687.8716 6182.3699 296.8829 3494.4983 6210.7815 299.9845 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: 998.294, 0.00392349/step Wall: 998.294, 0.00392349/step, 2.45719 hours remaining, 110.789062 MB of memory in use. ENERGY: 245400 652.5450 1885.1075 1922.8867 92.0326 0.8978 -1059.0242 0.0000 0.0000 2752.7626 6247.2080 304.0503 3494.4455 6281.4625 300.0193 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: 999.078, 0.00392168/step Wall: 999.078, 0.00392168/step, 2.45584 hours remaining, 110.789062 MB of memory in use. ENERGY: 245600 621.8801 1881.1664 1913.6813 110.2448 -0.0483 -1071.3225 0.0000 0.0000 2743.7421 6199.3439 303.0540 3455.6018 6232.5807 300.9988 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: 999.863, 0.00392331/step Wall: 999.863, 0.00392331/step, 2.45665 hours remaining, 110.789062 MB of memory in use. ENERGY: 245800 651.2815 1860.2600 1935.8019 101.8988 0.1954 -1062.1621 0.0000 0.0000 2714.3581 6201.6336 299.8084 3487.2755 6240.6234 299.8340 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: 1000.65, 0.00391888/step Wall: 1000.65, 0.00391888/step, 2.45365 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 246000 635.3379 1861.1204 1947.4656 104.5094 0.8302 -1107.8932 0.0000 0.0000 2762.0672 6203.4376 305.0780 3441.3704 6239.4911 299.7285 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: 1001.43, 0.00392517/step Wall: 1001.43, 0.00392517/step, 2.45738 hours remaining, 110.789062 MB of memory in use. ENERGY: 246200 655.7687 1834.2504 1940.7718 115.1173 0.7878 -1076.6755 0.0000 0.0000 2712.1225 6182.1430 299.5615 3470.0205 6216.0915 299.7308 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: 1002.22, 0.00392491/step Wall: 1002.22, 0.00392491/step, 2.45699 hours remaining, 110.789062 MB of memory in use. ENERGY: 246400 646.5653 1844.1895 1954.8254 104.1499 1.5509 -1053.3876 0.0000 0.0000 2678.3497 6176.2430 295.8312 3497.8933 6205.9873 297.4464 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: 1003, 0.00392447/step Wall: 1003, 0.00392447/step, 2.4565 hours remaining, 110.789062 MB of memory in use. ENERGY: 246600 615.1148 1847.1846 1960.2070 112.7153 0.9392 -1081.1979 0.0000 0.0000 2699.7503 6154.7134 298.1949 3454.9630 6186.4125 294.7404 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: 1003.79, 0.00392215/step Wall: 1003.79, 0.00392215/step, 2.45483 hours remaining, 110.789062 MB of memory in use. ENERGY: 246800 600.5857 1858.8896 1940.4178 119.2365 2.0114 -1059.7539 0.0000 0.0000 2717.2487 6178.6358 300.1277 3461.3871 6213.5619 296.2619 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: 1004.57, 0.00391742/step Wall: 1004.57, 0.00391742/step, 2.45165 hours remaining, 110.789062 MB of memory in use. ENERGY: 247000 639.3081 1837.6141 1957.3390 105.3165 1.9132 -1104.4636 0.0000 0.0000 2714.7507 6151.7779 299.8518 3437.0272 6184.0055 297.9035 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: 1005.35, 0.00392295/step Wall: 1005.35, 0.00392295/step, 2.4549 hours remaining, 110.789062 MB of memory in use. ENERGY: 247200 616.4877 1896.1670 1966.6160 103.8002 1.3402 -1074.7153 0.0000 0.0000 2678.8006 6188.4965 295.8810 3509.6959 6217.7662 297.3817 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: 1006.14, 0.00392228/step Wall: 1006.14, 0.00392228/step, 2.45426 hours remaining, 110.789062 MB of memory in use. ENERGY: 247400 646.7519 1870.5007 1963.2528 105.9771 2.1169 -1084.3161 0.0000 0.0000 2672.9159 6177.1992 295.2310 3504.2832 6210.6962 297.4875 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: 1006.92, 0.00392261/step Wall: 1006.92, 0.00392261/step, 2.45424 hours remaining, 110.789062 MB of memory in use. ENERGY: 247600 622.9029 1803.6600 1969.6207 112.4307 1.5420 -1055.5396 0.0000 0.0000 2722.4016 6177.0183 300.6968 3454.6167 6209.5140 296.7892 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: 1007.71, 0.00392223/step Wall: 1007.71, 0.00392223/step, 2.45379 hours remaining, 110.789062 MB of memory in use. ENERGY: 247800 642.3389 1805.8420 1941.1019 125.3219 1.2245 -1064.7071 0.0000 0.0000 2684.9868 6136.1089 296.5643 3451.1221 6166.1433 295.8859 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: 1008.49, 0.0039194/step Wall: 1008.49, 0.0039194/step, 2.4518 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 248000 633.7518 1826.2680 1962.5768 108.3214 2.1551 -1080.5024 0.0000 0.0000 2682.0575 6134.6283 296.2407 3452.5708 6164.0086 295.4603 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: 1009.28, 0.00392349/step Wall: 1009.28, 0.00392349/step, 2.45414 hours remaining, 110.789062 MB of memory in use. ENERGY: 248200 640.5517 1871.6122 1958.5912 98.9266 1.2761 -1093.0828 0.0000 0.0000 2698.2871 6176.1620 298.0333 3477.8749 6209.4752 297.3245 LDB: ============= START OF LOAD BALANCING ============== 1011.98 LDB: ============== END OF LOAD BALANCING =============== 1011.98 LDB: =============== DONE WITH MIGRATION ================ 1011.98 LDB: ============= START OF LOAD BALANCING ============== 1012.37 LDB: ============== END OF LOAD BALANCING =============== 1012.37 LDB: =============== DONE WITH MIGRATION ================ 1012.37 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: 1010.06, 0.00393046/step Wall: 1010.06, 0.00393046/step, 2.45829 hours remaining, 110.789062 MB of memory in use. ENERGY: 248400 653.4432 1900.2428 1959.5668 107.2749 3.1760 -1080.8717 0.0000 0.0000 2637.7159 6180.5479 291.3431 3542.8320 6208.7067 298.1816 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: 1010.85, 0.00392515/step Wall: 1010.85, 0.00392515/step, 2.45475 hours remaining, 110.789062 MB of memory in use. ENERGY: 248600 669.9300 1817.6577 1945.6816 110.2656 1.6837 -1081.5248 0.0000 0.0000 2725.4377 6189.1314 301.0322 3463.6937 6226.2494 299.3585 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: 1011.63, 0.00391901/step Wall: 1011.63, 0.00391901/step, 2.45069 hours remaining, 110.789062 MB of memory in use. ENERGY: 248800 681.6621 1841.2361 1949.8974 112.1666 3.3865 -1084.3438 0.0000 0.0000 2688.3027 6192.3076 296.9305 3504.0049 6224.0029 298.6734 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: 1012.42, 0.00392343/step Wall: 1012.42, 0.00392343/step, 2.45323 hours remaining, 110.789062 MB of memory in use. ENERGY: 249000 631.1175 1838.3540 1952.6911 112.4587 3.0499 -1100.6791 0.0000 0.0000 2742.1206 6179.1128 302.8749 3436.9922 6211.9214 297.9932 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: 1013.2, 0.00392362/step Wall: 1013.2, 0.00392362/step, 2.45314 hours remaining, 110.789062 MB of memory in use. ENERGY: 249200 623.2285 1845.0975 1987.0907 105.1560 2.3877 -1048.0930 0.0000 0.0000 2701.7274 6216.5949 298.4133 3514.8675 6252.2265 298.2895 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: 1013.98, 0.00392277/step Wall: 1013.98, 0.00392277/step, 2.45239 hours remaining, 110.789062 MB of memory in use. ENERGY: 249400 663.9140 1865.5444 1969.1848 100.4523 2.2765 -1046.2946 0.0000 0.0000 2688.4853 6243.5627 296.9507 3555.0774 6274.5312 300.1637 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: 1014.77, 0.00392558/step Wall: 1014.77, 0.00392558/step, 2.45392 hours remaining, 110.789062 MB of memory in use. ENERGY: 249600 638.9747 1831.7383 1966.6440 101.0655 1.8859 -1041.5473 0.0000 0.0000 2664.8235 6163.5847 294.3372 3498.7612 6195.4036 297.7415 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: 1015.55, 0.00391903/step Wall: 1015.55, 0.00391902/step, 2.44961 hours remaining, 110.789062 MB of memory in use. ENERGY: 249800 640.7911 1816.0714 1956.9405 103.2998 2.0617 -1081.1969 0.0000 0.0000 2760.3540 6198.3215 304.8888 3437.9676 6233.8157 296.3254 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: 1016.34, 0.00392265/step Wall: 1016.34, 0.00392266/step, 2.45166 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 250000 670.6918 1828.2790 1958.9753 102.9995 0.9373 -1076.1653 0.0000 0.0000 2700.1354 6185.8530 298.2375 3485.7175 6217.1228 297.6531 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 250000 WRITING COORDINATES TO DCD FILE MD.1.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: 1017.16, 0.00411468/step Wall: 1017.16, 0.00411468/step, 2.57144 hours remaining, 110.789062 MB of memory in use. ENERGY: 250200 631.4623 1816.4070 1960.5322 105.3289 2.1074 -1070.2719 0.0000 0.0000 2826.2863 6271.8522 312.1712 3445.5659 6308.0154 301.2907 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: 1017.95, 0.00392233/step Wall: 1017.95, 0.00392233/step, 2.45102 hours remaining, 110.789062 MB of memory in use. ENERGY: 250400 646.5423 1890.9808 1952.3298 107.3371 2.4351 -1082.1048 0.0000 0.0000 2683.9633 6201.4836 296.4512 3517.5203 6234.0511 302.1178 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: 1018.73, 0.00392421/step Wall: 1018.73, 0.00392421/step, 2.45198 hours remaining, 110.789062 MB of memory in use. ENERGY: 250600 648.9969 1883.1697 1954.5953 92.7570 2.6043 -1072.3521 0.0000 0.0000 2694.1145 6203.8855 297.5724 3509.7710 6239.6286 298.3888 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: 1019.51, 0.00391868/step Wall: 1019.51, 0.00391868/step, 2.4483 hours remaining, 110.789062 MB of memory in use. ENERGY: 250800 648.0231 1842.0623 1960.1056 107.7121 2.3036 -1099.8503 0.0000 0.0000 2726.5913 6186.9476 301.1596 3460.3563 6223.5489 297.7961 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: 1020.3, 0.00392174/step Wall: 1020.3, 0.00392174/step, 2.45 hours remaining, 110.789062 MB of memory in use. ENERGY: 251000 657.0843 1862.9896 1960.7918 118.2735 0.4866 -1077.8263 0.0000 0.0000 2676.0465 6197.8459 295.5768 3521.7994 6227.8246 297.7106 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: 1021.08, 0.00392336/step Wall: 1021.08, 0.00392336/step, 2.4508 hours remaining, 110.789062 MB of memory in use. ENERGY: 251200 621.6476 1895.8084 1973.2779 113.5531 1.0701 -1060.2754 0.0000 0.0000 2675.5415 6220.6231 295.5210 3545.0816 6253.1868 298.7518 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: 1021.87, 0.00392358/step Wall: 1021.87, 0.00392358/step, 2.45071 hours remaining, 110.789062 MB of memory in use. ENERGY: 251400 671.2637 1806.8583 1975.5702 114.3277 1.7903 -1035.4321 0.0000 0.0000 2694.9505 6229.3286 297.6648 3534.3781 6260.3194 298.2002 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: 1022.65, 0.00391893/step Wall: 1022.65, 0.00391893/step, 2.44759 hours remaining, 110.789062 MB of memory in use. ENERGY: 251600 651.3934 1877.6530 1947.3028 116.7381 3.3735 -1068.9231 0.0000 0.0000 2696.3061 6223.8438 297.8145 3527.5377 6255.1873 301.2574 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: 1023.44, 0.00392439/step Wall: 1023.44, 0.00392439/step, 2.45078 hours remaining, 110.789062 MB of memory in use. ENERGY: 251800 663.8527 1820.1966 1943.0488 104.0500 1.8029 -1036.0985 0.0000 0.0000 2717.1396 6213.9919 300.1156 3496.8524 6247.2864 299.4172 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: 1024.22, 0.00392512/step Wall: 1024.22, 0.00392512/step, 2.45102 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 252000 653.4094 1821.1060 1959.4182 107.2828 2.2803 -1048.2995 0.0000 0.0000 2731.7258 6226.9229 301.7267 3495.1971 6260.1577 299.4593 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: 1025.01, 0.00393523/step Wall: 1025.01, 0.00393523/step, 2.45711 hours remaining, 110.789062 MB of memory in use. ENERGY: 252200 645.3335 1890.5922 1960.2881 113.4384 0.9922 -1090.3993 0.0000 0.0000 2695.4276 6215.6727 297.7175 3520.2451 6247.9974 299.8395 LDB: ============= START OF LOAD BALANCING ============== 1027.71 LDB: ============== END OF LOAD BALANCING =============== 1027.71 LDB: =============== DONE WITH MIGRATION ================ 1027.71 LDB: ============= START OF LOAD BALANCING ============== 1028.1 LDB: ============== END OF LOAD BALANCING =============== 1028.1 LDB: =============== DONE WITH MIGRATION ================ 1028.1 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: 1025.79, 0.00393134/step Wall: 1025.79, 0.00393134/step, 2.45447 hours remaining, 110.789062 MB of memory in use. ENERGY: 252400 655.8648 1839.8043 1962.9511 110.6093 2.8523 -1070.6395 0.0000 0.0000 2710.3896 6211.8319 299.3701 3501.4423 6248.7588 299.3924 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: 1026.58, 0.00392069/step Wall: 1026.58, 0.00392069/step, 2.4476 hours remaining, 110.789062 MB of memory in use. ENERGY: 252600 647.9828 1887.6628 1957.1767 106.5491 2.9038 -1071.9936 0.0000 0.0000 2673.5868 6203.8684 295.3051 3530.2815 6236.7594 297.9197 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: 1027.36, 0.00392509/step Wall: 1027.36, 0.00392509/step, 2.45013 hours remaining, 110.789062 MB of memory in use. ENERGY: 252800 648.2339 1801.3355 1987.6644 126.2579 2.7551 -1061.2227 0.0000 0.0000 2720.7368 6225.7610 300.5130 3505.0242 6263.9572 300.1705 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: 1028.15, 0.00392447/step Wall: 1028.15, 0.00392447/step, 2.44952 hours remaining, 110.789062 MB of memory in use. ENERGY: 253000 647.3898 1836.7511 1962.1487 97.1199 4.2544 -1026.6456 0.0000 0.0000 2675.3668 6196.3852 295.5017 3521.0184 6230.0766 300.0944 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: 1028.93, 0.00392504/step Wall: 1028.93, 0.00392504/step, 2.44966 hours remaining, 110.789062 MB of memory in use. ENERGY: 253200 683.8954 1827.2283 1924.6907 93.1283 2.6663 -1049.9390 0.0000 0.0000 2696.4680 6178.1379 297.8324 3481.6700 6212.6403 296.0952 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: 1029.72, 0.00392/step Wall: 1029.72, 0.00392/step, 2.4463 hours remaining, 110.789062 MB of memory in use. ENERGY: 253400 654.9472 1845.0546 1952.1356 104.0474 3.2401 -1043.3162 0.0000 0.0000 2687.8044 6203.9131 296.8755 3516.1086 6237.8173 297.3833 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: 1030.5, 0.0039235/step Wall: 1030.5, 0.0039235/step, 2.44826 hours remaining, 110.789062 MB of memory in use. ENERGY: 253600 625.2195 1877.8206 1968.2407 115.0698 2.1787 -1044.6382 0.0000 0.0000 2652.4766 6196.3677 292.9734 3543.8911 6228.2269 296.0638 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: 1031.29, 0.00392284/step Wall: 1031.29, 0.00392284/step, 2.44763 hours remaining, 110.789062 MB of memory in use. ENERGY: 253800 650.3687 1827.2475 1992.0902 101.5829 2.4012 -1068.5111 0.0000 0.0000 2682.5737 6187.7530 296.2977 3505.1794 6222.5916 296.5602 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: 1032.07, 0.00392463/step Wall: 1032.07, 0.00392463/step, 2.44853 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 254000 665.6271 1881.3153 1971.4293 102.8033 3.8158 -1076.9980 0.0000 0.0000 2681.2413 6229.2342 296.1506 3547.9929 6263.4280 298.4598 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: 1032.86, 0.00392411/step Wall: 1032.86, 0.00392411/step, 2.44799 hours remaining, 110.789062 MB of memory in use. ENERGY: 254200 655.7084 1837.3776 1971.6141 107.3690 1.4912 -1068.3040 0.0000 0.0000 2712.1241 6217.3804 299.5617 3505.2563 6250.2412 298.9164 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: 1033.64, 0.00391757/step Wall: 1033.64, 0.00391756/step, 2.44369 hours remaining, 110.789062 MB of memory in use. ENERGY: 254400 668.7587 1828.1093 1942.7511 97.0511 2.1598 -1083.8750 0.0000 0.0000 2719.4045 6174.3595 300.3658 3454.9550 6210.1460 297.6841 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: 1034.43, 0.00392371/step Wall: 1034.43, 0.00392372/step, 2.44731 hours remaining, 110.789062 MB of memory in use. ENERGY: 254600 634.5440 1905.2108 1953.1825 93.5193 1.6284 -1092.4372 0.0000 0.0000 2662.2328 6157.8807 294.0510 3495.6478 6191.5132 296.1076 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: 1035.21, 0.00392333/step Wall: 1035.21, 0.00392333/step, 2.44685 hours remaining, 110.789062 MB of memory in use. ENERGY: 254800 665.9217 1895.6694 1929.2510 98.1103 1.5864 -1085.6926 0.0000 0.0000 2718.1165 6222.9628 300.2235 3504.8463 6255.2009 299.7250 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: 1036, 0.00393627/step Wall: 1036, 0.00393627/step, 2.4547 hours remaining, 110.789062 MB of memory in use. ENERGY: 255000 633.1586 1848.6150 1981.4875 108.3696 -0.3838 -1063.9304 0.0000 0.0000 2695.5908 6202.9072 297.7355 3507.3165 6237.5607 298.6533 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: 1036.78, 0.00392303/step Wall: 1036.78, 0.00392303/step, 2.44623 hours remaining, 110.789062 MB of memory in use. ENERGY: 255200 666.5500 1842.0020 1949.0638 97.5741 0.4682 -1113.7258 0.0000 0.0000 2781.9044 6223.8367 307.2691 3441.9323 6259.8887 299.0449 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: 1037.57, 0.00391921/step Wall: 1037.57, 0.00391921/step, 2.44363 hours remaining, 110.789062 MB of memory in use. ENERGY: 255400 658.8252 1858.0014 1956.1088 106.3338 2.3134 -1057.4433 0.0000 0.0000 2717.1702 6241.3095 300.1190 3524.1393 6273.4950 301.0894 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: 1038.35, 0.00392367/step Wall: 1038.35, 0.00392367/step, 2.44619 hours remaining, 110.789062 MB of memory in use. ENERGY: 255600 672.9131 1843.3078 1978.9985 109.7452 2.3478 -1082.0732 0.0000 0.0000 2703.9429 6229.1822 298.6580 3525.2393 6261.1195 298.4681 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: 1039.13, 0.00392327/step Wall: 1039.13, 0.00392327/step, 2.44572 hours remaining, 110.789062 MB of memory in use. ENERGY: 255800 660.0546 1825.9500 1958.6905 102.3169 4.3836 -1104.6639 0.0000 0.0000 2782.7848 6229.5164 307.3663 3446.7316 6265.5157 299.9077 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: 1039.92, 0.00392415/step Wall: 1039.92, 0.00392415/step, 2.44606 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 256000 678.3581 1865.3092 1976.4705 115.0074 2.3307 -1111.2550 0.0000 0.0000 2719.1106 6245.3314 300.3333 3526.2208 6279.5786 301.6855 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: 1040.7, 0.00391857/step Wall: 1040.7, 0.00391857/step, 2.44236 hours remaining, 110.789062 MB of memory in use. ENERGY: 256200 650.5545 1900.7395 1946.9102 108.8140 2.2463 -1053.3521 0.0000 0.0000 2758.3407 6314.2530 304.6664 3555.9123 6349.0635 302.5777 LDB: ============= START OF LOAD BALANCING ============== 1043.41 LDB: ============== END OF LOAD BALANCING =============== 1043.41 LDB: =============== DONE WITH MIGRATION ================ 1043.41 LDB: ============= START OF LOAD BALANCING ============== 1043.8 LDB: ============== END OF LOAD BALANCING =============== 1043.8 LDB: =============== DONE WITH MIGRATION ================ 1043.8 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: 1041.49, 0.00392873/step Wall: 1041.49, 0.00392873/step, 2.44847 hours remaining, 110.789062 MB of memory in use. ENERGY: 256400 624.1293 1890.8633 1942.6360 100.3189 1.4267 -1037.4504 0.0000 0.0000 2715.0850 6237.0088 299.8887 3521.9238 6269.9284 303.1386 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: 1042.27, 0.00392342/step Wall: 1042.27, 0.00392342/step, 2.44495 hours remaining, 110.789062 MB of memory in use. ENERGY: 256600 640.4362 1849.2667 1965.3702 113.8041 2.0775 -1028.9451 0.0000 0.0000 2727.8118 6269.8213 301.2944 3542.0096 6306.0911 301.6755 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: 1043.06, 0.0039231/step Wall: 1043.06, 0.0039231/step, 2.44453 hours remaining, 110.789062 MB of memory in use. ENERGY: 256800 653.8973 1907.1633 1946.4451 113.8972 2.2458 -1055.1555 0.0000 0.0000 2709.2767 6277.7699 299.2472 3568.4932 6306.9203 301.1848 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: 1043.84, 0.00392215/step Wall: 1043.84, 0.00392215/step, 2.44372 hours remaining, 110.789062 MB of memory in use. ENERGY: 257000 682.2056 1876.6206 1962.7667 97.1069 1.9086 -1087.1431 0.0000 0.0000 2764.5283 6297.9936 305.3499 3533.4653 6330.0464 304.4367 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: 1044.63, 0.00391809/step Wall: 1044.63, 0.00391809/step, 2.44097 hours remaining, 110.789062 MB of memory in use. ENERGY: 257200 662.2917 1866.8687 1968.3982 114.7059 2.9225 -1049.1147 0.0000 0.0000 2708.9026 6274.9750 299.2058 3566.0724 6308.3893 303.8634 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: 1045.41, 0.00392426/step Wall: 1045.41, 0.00392426/step, 2.4446 hours remaining, 110.789062 MB of memory in use. ENERGY: 257400 676.9649 1867.7785 1940.9374 109.2979 1.9169 -1064.3578 0.0000 0.0000 2741.8787 6274.4166 302.8481 3532.5378 6309.1046 302.7332 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: 1046.2, 0.00392307/step Wall: 1046.2, 0.00392307/step, 2.44364 hours remaining, 110.789062 MB of memory in use. ENERGY: 257600 650.8263 1913.7092 1960.8262 111.1253 1.4296 -1088.9146 0.0000 0.0000 2697.1714 6246.1736 297.9101 3549.0021 6279.7035 302.2466 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: 1046.98, 0.00392348/step Wall: 1046.98, 0.00392348/step, 2.44367 hours remaining, 110.789062 MB of memory in use. ENERGY: 257800 638.4981 1891.5758 1904.0663 103.9963 2.4020 -1020.9855 0.0000 0.0000 2680.1234 6199.6765 296.0271 3519.5530 6231.6993 299.1870 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: 1047.77, 0.00392156/step Wall: 1047.77, 0.00392156/step, 2.44226 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 258000 679.7631 1825.4072 1991.3751 104.3028 1.5719 -1062.1872 0.0000 0.0000 2692.1395 6232.3725 297.3543 3540.2329 6264.8808 298.0803 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: 1048.55, 0.00392061/step Wall: 1048.55, 0.00392061/step, 2.44145 hours remaining, 110.789062 MB of memory in use. ENERGY: 258200 647.5310 1870.6195 1956.2024 110.6636 1.4799 -1100.9188 0.0000 0.0000 2718.9884 6204.5660 300.3198 3485.5776 6234.8992 299.1582 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: 1049.33, 0.00392321/step Wall: 1049.33, 0.00392321/step, 2.44286 hours remaining, 110.789062 MB of memory in use. ENERGY: 258400 675.2321 1875.3846 1964.6052 97.1470 1.6020 -1056.3409 0.0000 0.0000 2690.4705 6248.1005 297.1700 3557.6299 6280.3797 299.3263 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: 1050.12, 0.00392349/step Wall: 1050.12, 0.00392349/step, 2.44281 hours remaining, 110.789062 MB of memory in use. ENERGY: 258600 642.6591 1846.6785 1960.6090 102.8300 1.5184 -1089.4790 0.0000 0.0000 2794.3890 6259.2051 308.6480 3464.8161 6294.8340 301.2022 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: 1050.9, 0.00392447/step Wall: 1050.9, 0.00392447/step, 2.4432 hours remaining, 110.789062 MB of memory in use. ENERGY: 258800 609.8908 1842.9584 1989.8873 91.5567 2.9011 -1066.0118 0.0000 0.0000 2731.9687 6203.1513 301.7536 3471.1826 6238.7211 299.7508 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: 1051.69, 0.00391694/step Wall: 1051.69, 0.00391694/step, 2.4383 hours remaining, 110.789062 MB of memory in use. ENERGY: 259000 669.1378 1832.9503 1987.7957 123.2876 1.7668 -1079.9807 0.0000 0.0000 2692.4602 6227.4177 297.3897 3534.9575 6261.1223 299.5849 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: 1052.47, 0.00392226/step Wall: 1052.47, 0.00392226/step, 2.44139 hours remaining, 110.789062 MB of memory in use. ENERGY: 259200 625.1181 1790.8178 1969.9886 102.4611 2.0551 -1090.9497 0.0000 0.0000 2805.5084 6204.9993 309.8762 3399.4910 6240.3496 300.3401 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: 1053.26, 0.00392272/step Wall: 1053.26, 0.00392272/step, 2.44145 hours remaining, 110.789062 MB of memory in use. ENERGY: 259400 670.3595 1821.4993 1956.8444 110.5016 2.4329 -1033.8625 0.0000 0.0000 2678.6752 6206.4504 295.8671 3527.7752 6237.1371 298.5686 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: 1054.04, 0.00392231/step Wall: 1054.04, 0.0039223/step, 2.44098 hours remaining, 110.789062 MB of memory in use. ENERGY: 259600 657.0688 1861.8557 1975.6198 112.5782 0.8937 -1073.5234 0.0000 0.0000 2677.7089 6212.2017 295.7604 3534.4928 6245.0745 300.5013 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: 1054.83, 0.00392422/step Wall: 1054.83, 0.00392423/step, 2.44196 hours remaining, 110.789062 MB of memory in use. ENERGY: 259800 628.1051 1851.6316 1959.2991 120.6250 2.8422 -1120.9196 0.0000 0.0000 2697.5389 6139.1223 297.9507 3441.5833 6175.0704 297.7649 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: 1055.61, 0.0039181/step Wall: 1055.61, 0.0039181/step, 2.43793 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 260000 629.3187 1861.0798 1952.7306 100.9740 -0.4342 -1076.9956 0.0000 0.0000 2698.4927 6165.1660 298.0560 3466.6733 6199.0653 297.0774 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 260000 WRITING COORDINATES TO DCD FILE MD.1.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: 1056.43, 0.00412206/step Wall: 1056.43, 0.00412206/step, 2.56461 hours remaining, 110.789062 MB of memory in use. ENERGY: 260200 672.7851 1809.2587 1945.5357 112.3557 0.9262 -1082.3866 0.0000 0.0000 2690.0838 6148.5587 297.1273 3458.4748 6180.1514 296.4236 LDB: ============= START OF LOAD BALANCING ============== 1059.13 LDB: ============== END OF LOAD BALANCING =============== 1059.13 LDB: =============== DONE WITH MIGRATION ================ 1059.13 LDB: ============= START OF LOAD BALANCING ============== 1059.53 LDB: ============== END OF LOAD BALANCING =============== 1059.53 LDB: =============== DONE WITH MIGRATION ================ 1059.53 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: 1057.22, 0.00392609/step Wall: 1057.22, 0.0039261/step, 2.44247 hours remaining, 110.789062 MB of memory in use. ENERGY: 260400 650.7969 1856.9120 1959.0557 109.4484 2.3666 -1066.2609 0.0000 0.0000 2688.3313 6200.6499 296.9337 3512.3186 6232.9056 298.0500 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: 1058, 0.00392316/step Wall: 1058, 0.00392316/step, 2.44042 hours remaining, 110.789062 MB of memory in use. ENERGY: 260600 651.6870 1847.2755 1937.3340 118.2349 2.7751 -1100.6926 0.0000 0.0000 2715.0354 6171.6494 299.8832 3456.6139 6204.5890 296.4463 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: 1058.79, 0.00392427/step Wall: 1058.79, 0.00392427/step, 2.4409 hours remaining, 110.789062 MB of memory in use. ENERGY: 260800 648.0977 1880.9372 1984.0865 113.5910 3.3571 -1090.3276 0.0000 0.0000 2654.3914 6194.1332 293.1849 3539.7418 6221.3571 299.4263 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: 1059.57, 0.00391855/step Wall: 1059.57, 0.00391855/step, 2.43712 hours remaining, 110.789062 MB of memory in use. ENERGY: 261000 655.7540 1863.0391 1966.3420 110.4052 4.0646 -1066.3539 0.0000 0.0000 2748.5164 6281.7673 303.5813 3533.2509 6316.2869 301.8805 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: 1060.36, 0.00392302/step Wall: 1060.36, 0.00392302/step, 2.43968 hours remaining, 110.789062 MB of memory in use. ENERGY: 261200 679.4006 1880.1283 1962.7005 103.5184 2.7747 -1087.6368 0.0000 0.0000 2726.6416 6267.5273 301.1652 3540.8857 6303.8012 302.3396 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: 1061.14, 0.00392244/step Wall: 1061.14, 0.00392244/step, 2.43911 hours remaining, 110.789062 MB of memory in use. ENERGY: 261400 647.5988 1861.6806 1959.6286 108.3282 2.2170 -1076.1861 0.0000 0.0000 2774.1095 6277.3765 306.4081 3503.2671 6311.4220 303.9058 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: 1061.93, 0.00392367/step Wall: 1061.93, 0.00392367/step, 2.43965 hours remaining, 110.789062 MB of memory in use. ENERGY: 261600 630.2599 1890.2819 2013.3288 115.2424 1.4224 -1050.3198 0.0000 0.0000 2724.2500 6324.4656 300.9010 3600.2157 6358.3258 304.1676 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: 1062.71, 0.00391801/step Wall: 1062.71, 0.00391801/step, 2.43591 hours remaining, 110.789062 MB of memory in use. ENERGY: 261800 658.8055 1891.1169 1926.8786 103.8501 1.9324 -1064.2921 0.0000 0.0000 2774.8277 6293.1191 306.4874 3518.2914 6324.2567 304.6151 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: 1063.49, 0.00392222/step Wall: 1063.49, 0.00392222/step, 2.43831 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 262000 642.1172 1852.8129 1957.2703 111.3789 1.4343 -1046.1197 0.0000 0.0000 2772.6549 6291.5488 306.2475 3518.8939 6328.9741 304.1349 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: 1064.28, 0.00392457/step Wall: 1064.28, 0.00392457/step, 2.43955 hours remaining, 110.789062 MB of memory in use. ENERGY: 262200 667.0784 1861.0930 1944.7063 108.1841 0.8266 -1064.4555 0.0000 0.0000 2763.4060 6280.8389 305.2259 3517.4329 6311.9208 303.9258 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: 1065.06, 0.00392482/step Wall: 1065.06, 0.00392482/step, 2.43949 hours remaining, 110.789062 MB of memory in use. ENERGY: 262400 634.6589 1902.0677 1942.2195 103.0039 1.8372 -1072.5778 0.0000 0.0000 2742.1466 6253.3560 302.8777 3511.2094 6287.4603 302.3104 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: 1065.85, 0.00392134/step Wall: 1065.85, 0.00392134/step, 2.43711 hours remaining, 110.789062 MB of memory in use. ENERGY: 262600 672.8291 1836.5519 1971.3086 105.5768 1.6313 -1089.6345 0.0000 0.0000 2753.5587 6251.8219 304.1382 3498.2632 6287.5801 301.1713 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: 1066.63, 0.00391829/step Wall: 1066.63, 0.00391829/step, 2.435 hours remaining, 110.789062 MB of memory in use. ENERGY: 262800 668.3970 1857.4149 1951.1727 111.0575 2.8260 -1058.9313 0.0000 0.0000 2705.0659 6237.0028 298.7821 3531.9369 6269.8653 299.7540 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: 1067.42, 0.00392024/step Wall: 1067.42, 0.00392024/step, 2.43599 hours remaining, 110.789062 MB of memory in use. ENERGY: 263000 647.0987 1823.5632 1959.1712 116.1517 1.2933 -1044.0915 0.0000 0.0000 2650.9420 6154.1285 292.8039 3503.1865 6183.7875 298.2751 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: 1068.2, 0.00392005/step Wall: 1068.2, 0.00392005/step, 2.43566 hours remaining, 110.789062 MB of memory in use. ENERGY: 263200 668.3551 1838.8821 1966.7114 97.2049 1.9608 -1065.7985 0.0000 0.0000 2639.8290 6147.1449 291.5765 3507.3159 6179.5430 295.4731 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: 1068.98, 0.00392122/step Wall: 1068.98, 0.00392122/step, 2.43617 hours remaining, 110.789062 MB of memory in use. ENERGY: 263400 650.2773 1799.5649 1974.3684 112.4017 1.9991 -1095.7216 0.0000 0.0000 2710.7525 6153.6423 299.4102 3442.8898 6187.4638 295.3518 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: 1069.77, 0.00391593/step Wall: 1069.77, 0.00391593/step, 2.43266 hours remaining, 110.789062 MB of memory in use. ENERGY: 263600 657.0201 1856.6518 1959.7601 107.6515 2.7872 -1093.2298 0.0000 0.0000 2652.8014 6143.4424 293.0093 3490.6410 6174.9630 295.8242 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: 1070.55, 0.00392142/step Wall: 1070.55, 0.00392142/step, 2.43585 hours remaining, 110.789062 MB of memory in use. ENERGY: 263800 643.3983 1826.4351 1991.4147 113.2002 1.6345 -1104.8540 0.0000 0.0000 2706.0446 6177.2733 298.8902 3471.2287 6208.6018 295.3822 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: 1071.34, 0.00392184/step Wall: 1071.34, 0.00392183/step, 2.43589 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 264000 672.8870 1861.7143 1956.3895 109.8306 2.5493 -1085.2999 0.0000 0.0000 2684.6513 6202.7220 296.5272 3518.0707 6236.0906 300.1170 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: 1072.12, 0.00392092/step Wall: 1072.12, 0.00392093/step, 2.43512 hours remaining, 110.789062 MB of memory in use. ENERGY: 264200 640.4913 1807.9539 1944.3615 107.3953 2.1530 -1092.7685 0.0000 0.0000 2733.8534 6143.4398 301.9617 3409.5864 6176.8935 297.3368 LDB: ============= START OF LOAD BALANCING ============== 1074.82 LDB: ============== END OF LOAD BALANCING =============== 1074.82 LDB: =============== DONE WITH MIGRATION ================ 1074.82 LDB: ============= START OF LOAD BALANCING ============== 1075.21 LDB: ============== END OF LOAD BALANCING =============== 1075.21 LDB: =============== DONE WITH MIGRATION ================ 1075.21 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: 1072.9, 0.00392704/step Wall: 1072.9, 0.00392704/step, 2.43869 hours remaining, 110.789062 MB of memory in use. ENERGY: 264400 640.2144 1873.9572 1942.7776 107.8048 2.3527 -1105.9950 0.0000 0.0000 2677.8963 6139.0080 295.7811 3461.1117 6174.1560 296.7853 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: 1073.69, 0.00391589/step Wall: 1073.69, 0.00391589/step, 2.43155 hours remaining, 110.789062 MB of memory in use. ENERGY: 264600 619.5677 1814.8059 1972.8680 104.3618 2.6930 -1051.6117 0.0000 0.0000 2685.7053 6148.3899 296.6436 3462.6846 6182.6826 294.8635 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: 1074.47, 0.00392318/step Wall: 1074.47, 0.00392318/step, 2.43586 hours remaining, 110.789062 MB of memory in use. ENERGY: 264800 668.1847 1859.9528 1968.4348 105.0825 1.7078 -1091.9416 0.0000 0.0000 2653.9393 6165.3604 293.1350 3511.4211 6195.1552 296.4905 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: 1075.26, 0.00392259/step Wall: 1075.26, 0.00392259/step, 2.43527 hours remaining, 110.789062 MB of memory in use. ENERGY: 265000 638.4432 1766.8215 1994.8664 116.4215 1.8608 -1058.7929 0.0000 0.0000 2663.6516 6123.2721 294.2077 3459.6205 6157.4791 294.0025 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: 1076.04, 0.00392661/step Wall: 1076.04, 0.00392661/step, 2.43756 hours remaining, 110.789062 MB of memory in use. ENERGY: 265200 632.8102 1781.5560 1955.9937 128.2314 1.8214 -1049.1327 0.0000 0.0000 2694.4576 6145.7376 297.6103 3451.2800 6177.2290 294.3452 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: 1076.83, 0.00392315/step Wall: 1076.83, 0.00392315/step, 2.43518 hours remaining, 110.789062 MB of memory in use. ENERGY: 265400 652.9895 1775.3458 1973.0725 111.8621 1.8597 -1077.7554 0.0000 0.0000 2693.2100 6130.5842 297.4725 3437.3742 6167.0392 295.7742 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: 1077.61, 0.0039175/step Wall: 1077.61, 0.0039175/step, 2.43146 hours remaining, 110.789062 MB of memory in use. ENERGY: 265600 669.8095 1834.7053 1955.6303 116.1967 2.4591 -1048.3369 0.0000 0.0000 2639.6993 6170.1632 291.5621 3530.4639 6202.2197 295.8418 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: 1078.4, 0.00392321/step Wall: 1078.4, 0.00392321/step, 2.43478 hours remaining, 110.789062 MB of memory in use. ENERGY: 265800 644.8067 1840.7933 1974.2516 100.8980 1.6732 -1072.1017 0.0000 0.0000 2665.7568 6156.0779 294.4403 3490.3211 6187.3055 296.3990 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: 1079.18, 0.00392176/step Wall: 1079.18, 0.00392176/step, 2.43367 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 266000 660.7363 1827.8275 1955.9217 116.4952 2.3316 -1119.7133 0.0000 0.0000 2714.4927 6158.0916 299.8233 3443.5989 6192.0103 295.9754 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: 1079.96, 0.00392213/step Wall: 1079.96, 0.00392213/step, 2.43368 hours remaining, 110.789062 MB of memory in use. ENERGY: 266200 604.2049 1796.1530 1938.5662 108.8393 2.6832 -1068.4791 0.0000 0.0000 2720.0425 6102.0101 300.4363 3381.9676 6139.3084 295.7532 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: 1080.75, 0.00391827/step Wall: 1080.75, 0.00391827/step, 2.43107 hours remaining, 110.789062 MB of memory in use. ENERGY: 266400 633.2291 1754.0273 1947.5418 112.6786 3.4608 -1058.1232 0.0000 0.0000 2726.4124 6119.2268 301.1398 3392.8144 6156.8306 292.9490 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: 1081.53, 0.00392319/step Wall: 1081.53, 0.00392319/step, 2.4339 hours remaining, 110.789062 MB of memory in use. ENERGY: 266600 705.2354 1864.9265 1914.2754 92.4365 2.4566 -1111.0949 0.0000 0.0000 2671.0723 6139.3079 295.0274 3468.2356 6171.8144 294.3001 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: 1082.32, 0.00392305/step Wall: 1082.32, 0.00392305/step, 2.4336 hours remaining, 110.789062 MB of memory in use. ENERGY: 266800 677.8887 1869.1654 1929.7355 110.1200 1.6147 -1110.0239 0.0000 0.0000 2703.7364 6182.2368 298.6352 3478.5004 6213.3466 297.4290 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: 1083.1, 0.00392212/step Wall: 1083.1, 0.00392212/step, 2.4328 hours remaining, 110.789062 MB of memory in use. ENERGY: 267000 649.4313 1841.5471 1929.3796 110.5299 1.1046 -1075.3721 0.0000 0.0000 2706.3094 6162.9298 298.9194 3456.6203 6193.8271 296.5453 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: 1083.89, 0.00392304/step Wall: 1083.89, 0.00392303/step, 2.43315 hours remaining, 110.789062 MB of memory in use. ENERGY: 267200 653.2525 1830.7514 1949.5659 101.4048 2.4499 -1063.8245 0.0000 0.0000 2711.0392 6184.6392 299.4418 3473.6000 6215.3413 296.6798 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: 1084.67, 0.00392218/step Wall: 1084.67, 0.00392219/step, 2.43241 hours remaining, 110.789062 MB of memory in use. ENERGY: 267400 660.4498 1836.8045 1946.2238 100.2816 2.2173 -1084.0588 0.0000 0.0000 2710.2168 6172.1350 299.3510 3461.9182 6205.3417 298.4435 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: 1085.46, 0.0039273/step Wall: 1085.46, 0.0039273/step, 2.43536 hours remaining, 110.789062 MB of memory in use. ENERGY: 267600 665.1945 1824.1600 1943.4534 110.9552 1.9897 -1064.8651 0.0000 0.0000 2652.9321 6133.8197 293.0237 3480.8876 6163.9409 296.7717 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: 1086.24, 0.00392649/step Wall: 1086.24, 0.00392649/step, 2.43464 hours remaining, 110.789062 MB of memory in use. ENERGY: 267800 646.9891 1827.3326 1941.7017 110.5128 1.1349 -1036.1800 0.0000 0.0000 2659.9205 6151.4114 293.7956 3491.4909 6183.8020 295.7721 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: 1087.03, 0.0039241/step Wall: 1087.03, 0.0039241/step, 2.43294 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 268000 647.7151 1847.1003 1937.9343 106.8307 2.3402 -1054.5450 0.0000 0.0000 2652.4488 6139.8244 292.9704 3487.3756 6169.0473 293.6004 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: 1087.81, 0.00391645/step Wall: 1087.81, 0.00391645/step, 2.42798 hours remaining, 110.789062 MB of memory in use. ENERGY: 268200 691.2626 1817.8054 1947.3347 114.2272 1.1365 -1092.7477 0.0000 0.0000 2679.4666 6158.4854 295.9546 3479.0188 6190.7917 295.1803 LDB: ============= START OF LOAD BALANCING ============== 1090.51 LDB: ============== END OF LOAD BALANCING =============== 1090.51 LDB: =============== DONE WITH MIGRATION ================ 1090.51 LDB: ============= START OF LOAD BALANCING ============== 1090.9 LDB: ============== END OF LOAD BALANCING =============== 1090.9 LDB: =============== DONE WITH MIGRATION ================ 1090.9 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: 1088.6, 0.00392909/step Wall: 1088.6, 0.00392909/step, 2.4356 hours remaining, 110.789062 MB of memory in use. ENERGY: 268400 676.1584 1869.6976 1954.7595 94.2935 0.5882 -1083.9949 0.0000 0.0000 2675.5211 6187.0234 295.5188 3511.5022 6219.9472 295.7617 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: 1089.38, 0.00392202/step Wall: 1089.38, 0.00392202/step, 2.431 hours remaining, 110.789062 MB of memory in use. ENERGY: 268600 647.8902 1791.9854 1958.3104 95.0198 1.9528 -1069.2406 0.0000 0.0000 2726.8326 6152.7505 301.1863 3425.9179 6184.4062 296.9591 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: 1090.16, 0.00392395/step Wall: 1090.16, 0.00392395/step, 2.43198 hours remaining, 110.789062 MB of memory in use. ENERGY: 268800 651.4642 1867.1990 1972.0908 100.3504 2.2624 -1047.8727 0.0000 0.0000 2659.1747 6204.6689 293.7133 3545.4942 6236.6661 295.6706 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: 1090.95, 0.00392238/step Wall: 1090.95, 0.00392238/step, 2.43079 hours remaining, 110.789062 MB of memory in use. ENERGY: 269000 657.2110 1849.6095 1956.9420 114.7798 1.6257 -1093.0510 0.0000 0.0000 2718.6036 6205.7205 300.2773 3487.1169 6241.9732 299.6015 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: 1091.73, 0.00391752/step Wall: 1091.73, 0.00391752/step, 2.42756 hours remaining, 110.789062 MB of memory in use. ENERGY: 269200 657.7552 1800.7352 1960.5264 119.2910 2.4127 -1058.4596 0.0000 0.0000 2715.9007 6198.1616 299.9788 3482.2609 6230.9867 299.1430 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: 1092.52, 0.00392327/step Wall: 1092.52, 0.00392326/step, 2.4309 hours remaining, 110.789062 MB of memory in use. ENERGY: 269400 673.0987 1874.9282 1952.7603 112.7037 2.1400 -1058.3938 0.0000 0.0000 2668.3197 6225.5569 294.7233 3557.2372 6253.4791 298.6845 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: 1093.3, 0.00392181/step Wall: 1093.3, 0.00392182/step, 2.42978 hours remaining, 110.789062 MB of memory in use. ENERGY: 269600 653.1912 1851.8453 1972.8316 94.8914 2.0426 -1084.9893 0.0000 0.0000 2720.3671 6210.1799 300.4721 3489.8128 6245.1708 299.3336 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: 1094.09, 0.00392369/step Wall: 1094.09, 0.00392369/step, 2.43073 hours remaining, 110.789062 MB of memory in use. ENERGY: 269800 655.0923 1821.3695 2003.7385 115.6779 2.4209 -1065.6071 0.0000 0.0000 2662.4222 6195.1142 294.0719 3532.6920 6227.4023 298.6030 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: 1094.87, 0.0039239/step Wall: 1094.87, 0.0039239/step, 2.43064 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 270000 637.7692 1840.5323 1960.8643 111.7546 4.3874 -1053.8709 0.0000 0.0000 2691.8397 6193.2766 297.3212 3501.4369 6225.7317 298.6645 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 270000 WRITING COORDINATES TO DCD FILE MD.1.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: 1095.69, 0.00411242/step Wall: 1095.69, 0.00411242/step, 2.54719 hours remaining, 110.789062 MB of memory in use. ENERGY: 270200 677.4271 1907.3000 1970.1678 110.9728 2.9810 -1089.6302 0.0000 0.0000 2638.5486 6217.7670 291.4350 3579.2184 6245.7583 299.1195 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: 1096.48, 0.00392197/step Wall: 1096.48, 0.00392197/step, 2.429 hours remaining, 110.789062 MB of memory in use. ENERGY: 270400 654.1331 1833.6834 1968.5571 110.4510 3.9468 -1086.1983 0.0000 0.0000 2685.9104 6170.4835 296.6663 3484.5731 6202.5246 297.8280 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: 1097.26, 0.00392123/step Wall: 1097.26, 0.00392123/step, 2.42833 hours remaining, 110.789062 MB of memory in use. ENERGY: 270600 671.2988 1839.4393 2007.0226 117.6562 4.9065 -1103.5794 0.0000 0.0000 2622.4781 6159.2221 289.6600 3536.7440 6192.3409 297.4953 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: 1098.05, 0.00392553/step Wall: 1098.05, 0.00392553/step, 2.43078 hours remaining, 110.789062 MB of memory in use. ENERGY: 270800 659.1362 1817.0127 1946.4831 121.4880 2.9559 -1082.3743 0.0000 0.0000 2697.1382 6161.8398 297.9064 3464.7016 6193.9003 295.6775 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: 1098.83, 0.00391873/step Wall: 1098.83, 0.00391873/step, 2.42635 hours remaining, 110.789062 MB of memory in use. ENERGY: 271000 647.4050 1853.9953 1949.3709 99.9169 2.8747 -1081.0819 0.0000 0.0000 2712.8634 6185.3442 299.6433 3472.4808 6219.1563 298.1303 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: 1099.62, 0.00392387/step Wall: 1099.62, 0.00392387/step, 2.42931 hours remaining, 110.789062 MB of memory in use. ENERGY: 271200 625.9636 1809.2537 1972.7856 102.3794 2.3167 -1090.8700 0.0000 0.0000 2703.5367 6125.3656 298.6132 3421.8290 6155.8413 296.0499 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: 1100.4, 0.00392474/step Wall: 1100.4, 0.00392474/step, 2.42963 hours remaining, 110.789062 MB of memory in use. ENERGY: 271400 641.8498 1830.5504 1971.6645 103.7159 3.8479 -1091.1469 0.0000 0.0000 2668.2129 6128.6945 294.7115 3460.4816 6160.0165 295.2629 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: 1101.19, 0.0039257/step Wall: 1101.19, 0.0039257/step, 2.43001 hours remaining, 110.789062 MB of memory in use. ENERGY: 271600 615.2719 1790.6495 1969.6302 114.7549 3.3172 -1078.6008 0.0000 0.0000 2661.3786 6076.4014 293.9567 3415.0229 6108.9918 293.1517 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: 1101.97, 0.00392698/step Wall: 1101.97, 0.00392697/step, 2.43058 hours remaining, 110.789062 MB of memory in use. ENERGY: 271800 642.4961 1823.7241 1931.9694 102.5998 2.5495 -1110.4883 0.0000 0.0000 2683.6709 6076.5215 296.4189 3392.8507 6109.9656 292.3638 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: 1102.75, 0.00391915/step Wall: 1102.75, 0.00391915/step, 2.42552 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 272000 644.4645 1772.3047 1978.8538 110.6540 3.6081 -1080.3765 0.0000 0.0000 2635.1788 6064.6875 291.0628 3429.5087 6096.7363 291.0410 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: 1103.54, 0.00392478/step Wall: 1103.54, 0.00392478/step, 2.42879 hours remaining, 110.789062 MB of memory in use. ENERGY: 272200 617.2616 1788.8992 1978.4418 102.2107 1.8157 -1083.7495 0.0000 0.0000 2696.6459 6101.5254 297.8520 3404.8795 6131.8930 292.7974 LDB: ============= START OF LOAD BALANCING ============== 1106.24 LDB: ============== END OF LOAD BALANCING =============== 1106.24 LDB: =============== DONE WITH MIGRATION ================ 1106.24 LDB: ============= START OF LOAD BALANCING ============== 1106.63 LDB: ============== END OF LOAD BALANCING =============== 1106.63 LDB: =============== DONE WITH MIGRATION ================ 1106.63 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: 1104.33, 0.00392879/step Wall: 1104.33, 0.00392879/step, 2.43105 hours remaining, 110.789062 MB of memory in use. ENERGY: 272400 666.2777 1741.5449 1980.6779 106.4801 2.3627 -1064.0998 0.0000 0.0000 2727.0199 6160.2633 301.2069 3433.2434 6192.3409 296.0490 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: 1105.11, 0.00392228/step Wall: 1105.11, 0.00392228/step, 2.4268 hours remaining, 110.789062 MB of memory in use. ENERGY: 272600 666.6060 1841.8185 1970.3767 103.4458 3.2326 -1127.7551 0.0000 0.0000 2641.4181 6099.1427 291.7520 3457.7245 6129.6149 295.7168 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: 1105.89, 0.00392028/step Wall: 1105.89, 0.00392028/step, 2.42535 hours remaining, 110.789062 MB of memory in use. ENERGY: 272800 657.4068 1863.3594 1922.2659 97.8565 3.0510 -1109.0913 0.0000 0.0000 2672.5613 6107.4095 295.1918 3434.8482 6139.4765 294.9890 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: 1106.68, 0.00391375/step Wall: 1106.68, 0.00391374/step, 2.42109 hours remaining, 110.789062 MB of memory in use. ENERGY: 273000 646.4070 1800.3676 1964.4454 102.9816 3.8199 -1053.3788 0.0000 0.0000 2680.7735 6145.4161 296.0989 3464.6426 6175.1900 294.5855 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: 1107.46, 0.00392027/step Wall: 1107.46, 0.00392027/step, 2.42491 hours remaining, 110.789062 MB of memory in use. ENERGY: 273200 643.0321 1841.1226 1949.9271 105.2306 2.9257 -1048.3738 0.0000 0.0000 2625.5822 6119.4464 290.0029 3493.8641 6149.3470 293.7656 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: 1108.25, 0.00392179/step Wall: 1108.25, 0.00392179/step, 2.42563 hours remaining, 110.789062 MB of memory in use. ENERGY: 273400 627.8420 1799.2524 1955.8316 115.3714 3.5152 -1060.8156 0.0000 0.0000 2647.5184 6088.5155 292.4258 3440.9971 6121.8665 292.8867 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: 1109.03, 0.00392192/step Wall: 1109.03, 0.00392192/step, 2.42549 hours remaining, 110.789062 MB of memory in use. ENERGY: 273600 629.8309 1826.1324 1953.3385 103.6254 2.3309 -1087.0268 0.0000 0.0000 2671.7573 6099.9886 295.1030 3428.2313 6132.9604 292.2001 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: 1109.81, 0.00391518/step Wall: 1109.81, 0.00391518/step, 2.4211 hours remaining, 110.789062 MB of memory in use. ENERGY: 273800 606.7005 1842.5828 1968.0319 114.3747 2.5313 -1041.3263 0.0000 0.0000 2668.2905 6161.1854 294.7201 3492.8949 6193.7479 295.8191 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: 1110.6, 0.00392327/step Wall: 1110.6, 0.00392327/step, 2.42589 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 274000 629.4317 1857.0235 1974.0835 94.0225 2.5345 -1079.3782 0.0000 0.0000 2676.7267 6154.4443 295.6519 3477.7175 6188.9390 297.1280 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: 1111.38, 0.00392329/step Wall: 1111.38, 0.00392329/step, 2.42568 hours remaining, 110.789062 MB of memory in use. ENERGY: 274200 648.5335 1817.6090 1949.1231 106.1484 1.5969 -1074.6859 0.0000 0.0000 2730.5527 6178.8776 301.5972 3448.3249 6211.3665 296.4907 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: 1112.17, 0.00392207/step Wall: 1112.17, 0.00392207/step, 2.42471 hours remaining, 110.789062 MB of memory in use. ENERGY: 274400 611.7587 1825.7547 1993.0137 115.7982 2.3273 -1099.1815 0.0000 0.0000 2720.8990 6170.3702 300.5309 3449.4711 6204.7462 296.7828 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: 1112.95, 0.00392129/step Wall: 1112.95, 0.00392129/step, 2.42401 hours remaining, 110.789062 MB of memory in use. ENERGY: 274600 679.9453 1878.1861 1919.5268 98.1070 1.2462 -1101.1587 0.0000 0.0000 2698.3432 6174.1959 298.0395 3475.8527 6206.3529 298.1665 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: 1113.73, 0.0039159/step Wall: 1113.73, 0.0039159/step, 2.42046 hours remaining, 110.789062 MB of memory in use. ENERGY: 274800 658.7171 1828.6181 1960.9807 95.4553 1.5084 -1039.8493 0.0000 0.0000 2679.3624 6184.7928 295.9430 3505.4304 6216.3365 298.2461 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: 1114.52, 0.00392117/step Wall: 1114.52, 0.00392117/step, 2.4235 hours remaining, 110.789062 MB of memory in use. ENERGY: 275000 649.5882 1859.6190 1964.8395 96.4373 2.8655 -1095.4618 0.0000 0.0000 2671.6141 6149.5018 295.0872 3477.8877 6179.3194 297.1531 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: 1115.3, 0.00392143/step Wall: 1115.3, 0.00392143/step, 2.42344 hours remaining, 110.789062 MB of memory in use. ENERGY: 275200 656.7778 1788.3231 1956.7952 109.8011 1.7603 -1040.9575 0.0000 0.0000 2658.4546 6130.9545 293.6337 3472.4999 6163.8242 295.8372 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: 1116.09, 0.00393436/step Wall: 1116.09, 0.00393436/step, 2.43122 hours remaining, 110.789062 MB of memory in use. ENERGY: 275400 657.8691 1775.5791 1976.5004 100.2011 2.0112 -1050.3869 0.0000 0.0000 2726.8259 6188.5998 301.1855 3461.7739 6219.9884 295.2910 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: 1116.87, 0.0039165/step Wall: 1116.87, 0.0039165/step, 2.41996 hours remaining, 110.789062 MB of memory in use. ENERGY: 275600 649.6411 1812.7298 1998.6171 112.1686 3.1116 -1079.8892 0.0000 0.0000 2713.0744 6209.4536 299.6666 3496.3792 6242.6685 298.4224 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: 1117.66, 0.00392248/step Wall: 1117.66, 0.00392248/step, 2.42344 hours remaining, 110.789062 MB of memory in use. ENERGY: 275800 655.0077 1859.0834 1980.1050 92.8778 1.6386 -1097.8276 0.0000 0.0000 2684.1303 6175.0153 296.4697 3490.8849 6206.1073 300.2397 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: 1118.44, 0.00392412/step Wall: 1118.44, 0.00392412/step, 2.42423 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 276000 640.0298 1847.5086 1981.0278 92.5834 0.9653 -1066.8250 0.0000 0.0000 2648.6748 6143.9646 292.5535 3495.2898 6174.3363 295.7442 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: 1119.23, 0.00392112/step Wall: 1119.23, 0.00392112/step, 2.42217 hours remaining, 110.789062 MB of memory in use. ENERGY: 276200 644.5096 1906.6846 1956.4865 110.7643 1.4267 -1095.6245 0.0000 0.0000 2694.6513 6218.8985 297.6317 3524.2472 6251.3659 298.2848 LDB: ============= START OF LOAD BALANCING ============== 1121.93 LDB: ============== END OF LOAD BALANCING =============== 1121.93 LDB: =============== DONE WITH MIGRATION ================ 1121.93 LDB: ============= START OF LOAD BALANCING ============== 1122.32 LDB: ============== END OF LOAD BALANCING =============== 1122.32 LDB: =============== DONE WITH MIGRATION ================ 1122.32 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: 1120.01, 0.00392717/step Wall: 1120.01, 0.00392717/step, 2.42568 hours remaining, 110.789062 MB of memory in use. ENERGY: 276400 637.0098 1830.8804 1955.5008 113.6017 1.6062 -1080.8193 0.0000 0.0000 2742.8757 6200.6553 302.9583 3457.7796 6235.7153 300.7585 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: 1120.79, 0.00391634/step Wall: 1120.79, 0.00391634/step, 2.41878 hours remaining, 110.789062 MB of memory in use. ENERGY: 276600 653.2862 1840.9410 1947.1032 120.8185 2.7107 -1067.4256 0.0000 0.0000 2761.8590 6259.2930 305.0550 3497.4340 6296.7754 300.3541 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: 1121.58, 0.00392133/step Wall: 1121.58, 0.00392133/step, 2.42164 hours remaining, 110.789062 MB of memory in use. ENERGY: 276800 676.8501 1881.4130 1989.3755 109.2838 1.0796 -1111.7459 0.0000 0.0000 2724.0201 6270.2762 300.8756 3546.2561 6302.9258 302.1542 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: 1122.36, 0.00392168/step Wall: 1122.36, 0.00392168/step, 2.42163 hours remaining, 110.789062 MB of memory in use. ENERGY: 277000 657.3168 1871.4666 2001.3140 100.5337 2.0181 -1062.4316 0.0000 0.0000 2678.3724 6248.5900 295.8337 3570.2176 6279.6859 301.8901 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: 1123.15, 0.00392119/step Wall: 1123.15, 0.00392119/step, 2.42112 hours remaining, 110.789062 MB of memory in use. ENERGY: 277200 665.6687 1845.7678 1979.2903 108.8715 2.2292 -1079.1036 0.0000 0.0000 2739.0940 6261.8179 302.5406 3522.7239 6295.7488 301.3897 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: 1123.93, 0.00392202/step Wall: 1123.93, 0.00392202/step, 2.42141 hours remaining, 110.789062 MB of memory in use. ENERGY: 277400 658.8071 1936.9352 1947.4430 116.3435 1.9601 -1086.6188 0.0000 0.0000 2737.7324 6312.6025 302.3902 3574.8701 6344.0621 304.3697 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: 1124.72, 0.00391595/step Wall: 1124.72, 0.00391595/step, 2.41745 hours remaining, 110.789062 MB of memory in use. ENERGY: 277600 689.1587 1882.7996 1970.4497 108.4914 2.5270 -1073.7584 0.0000 0.0000 2749.7932 6329.4613 303.7223 3579.6681 6361.7459 304.6523 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: 1125.5, 0.00392033/step Wall: 1125.5, 0.00392033/step, 2.41993 hours remaining, 110.789062 MB of memory in use. ENERGY: 277800 669.4581 1883.3287 1959.6455 124.3070 1.7173 -1031.1539 0.0000 0.0000 2678.0655 6285.3682 295.7998 3607.3026 6316.2287 303.7252 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: 1126.28, 0.00392098/step Wall: 1126.28, 0.00392098/step, 2.42012 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 278000 678.9078 1814.3507 1980.4022 104.4212 3.0447 -1041.8622 0.0000 0.0000 2729.5133 6268.7777 301.4823 3539.2644 6303.2131 303.0964 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: 1127.07, 0.00392259/step Wall: 1127.07, 0.00392259/step, 2.42089 hours remaining, 110.789062 MB of memory in use. ENERGY: 278200 652.2528 1840.5745 1966.6036 108.6559 2.8865 -1061.6920 0.0000 0.0000 2824.7197 6334.0009 311.9982 3509.2812 6373.7404 305.6385 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: 1127.85, 0.00391709/step Wall: 1127.85, 0.00391709/step, 2.41728 hours remaining, 110.789062 MB of memory in use. ENERGY: 278400 636.3369 1853.3914 1974.8501 109.1152 2.7878 -1065.5227 0.0000 0.0000 2747.5734 6258.5321 303.4771 3510.9588 6293.1277 303.1025 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: 1128.64, 0.00392311/step Wall: 1128.64, 0.00392311/step, 2.42078 hours remaining, 110.789062 MB of memory in use. ENERGY: 278600 645.7891 1834.0644 1975.7587 107.0644 2.2905 -1056.5858 0.0000 0.0000 2728.2861 6236.6674 301.3468 3508.3813 6269.3080 302.1618 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: 1129.42, 0.00392171/step Wall: 1129.42, 0.0039217/step, 2.41969 hours remaining, 110.789062 MB of memory in use. ENERGY: 278800 663.3548 1891.4800 1963.7531 119.1396 1.3684 -1094.7937 0.0000 0.0000 2699.1168 6243.4190 298.1250 3544.3022 6274.6627 301.5239 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: 1130.2, 0.0039188/step Wall: 1130.2, 0.0039188/step, 2.41768 hours remaining, 110.789062 MB of memory in use. ENERGY: 279000 668.4003 1786.3457 1969.9867 103.5404 1.9020 -1071.7610 0.0000 0.0000 2718.3429 6176.7570 300.2485 3458.4141 6209.3637 300.1245 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: 1130.99, 0.00392241/step Wall: 1130.99, 0.00392241/step, 2.41969 hours remaining, 110.789062 MB of memory in use. ENERGY: 279200 658.8548 1863.5762 1956.7146 112.0281 2.3405 -1077.8154 0.0000 0.0000 2718.2648 6233.9636 300.2399 3515.6987 6266.1759 298.4578 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: 1131.77, 0.00391482/step Wall: 1131.77, 0.00391482/step, 2.41479 hours remaining, 110.789062 MB of memory in use. ENERGY: 279400 640.2844 1885.4659 1991.6892 113.6221 3.2095 -1079.3511 0.0000 0.0000 2706.2047 6261.1248 298.9078 3554.9201 6293.6786 301.7287 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: 1132.56, 0.00392128/step Wall: 1132.56, 0.00392128/step, 2.41856 hours remaining, 110.789062 MB of memory in use. ENERGY: 279600 663.1123 1881.8651 1970.1816 110.8511 2.2323 -1081.9291 0.0000 0.0000 2761.0748 6307.3880 304.9684 3546.3132 6338.9071 300.9749 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: 1133.34, 0.00392306/step Wall: 1133.34, 0.00392306/step, 2.41944 hours remaining, 110.789062 MB of memory in use. ENERGY: 279800 624.2992 1846.2922 1955.2911 108.5817 2.0292 -1059.7633 0.0000 0.0000 2730.7316 6207.4617 301.6169 3476.7301 6241.2546 301.7464 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: 1134.13, 0.00392299/step Wall: 1134.13, 0.00392299/step, 2.41918 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 280000 658.1292 1866.1699 1938.3595 110.1277 -0.1196 -1093.1887 0.0000 0.0000 2751.9787 6231.4568 303.9637 3479.4781 6265.3332 300.0231 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 280000 WRITING COORDINATES TO DCD FILE MD.1.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: 1134.95, 0.00410226/step Wall: 1134.95, 0.00410226/step, 2.5295 hours remaining, 110.789062 MB of memory in use. ENERGY: 280200 673.4578 1824.6832 1952.1770 108.2848 1.8111 -1099.3543 0.0000 0.0000 2790.3044 6251.3640 308.1969 3461.0596 6286.0404 300.9775 LDB: ============= START OF LOAD BALANCING ============== 1137.65 LDB: ============== END OF LOAD BALANCING =============== 1137.65 LDB: =============== DONE WITH MIGRATION ================ 1137.65 LDB: ============= START OF LOAD BALANCING ============== 1138.04 LDB: ============== END OF LOAD BALANCING =============== 1138.04 LDB: =============== DONE WITH MIGRATION ================ 1138.04 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: 1135.73, 0.00392051/step Wall: 1135.73, 0.00392051/step, 2.41722 hours remaining, 110.789062 MB of memory in use. ENERGY: 280400 649.9857 1829.9286 1950.8165 121.6759 1.3380 -1057.2374 0.0000 0.0000 2721.1202 6217.6276 300.5553 3496.5074 6253.1622 302.1759 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: 1136.51, 0.00392278/step Wall: 1136.51, 0.00392278/step, 2.41839 hours remaining, 110.789062 MB of memory in use. ENERGY: 280600 655.1278 1832.8131 1964.4419 113.5652 2.9820 -1087.1382 0.0000 0.0000 2760.5470 6242.3388 304.9101 3481.7918 6276.9010 299.7117 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: 1137.3, 0.00392228/step Wall: 1137.3, 0.00392228/step, 2.41787 hours remaining, 110.789062 MB of memory in use. ENERGY: 280800 641.7986 1893.8318 1938.2078 98.9369 3.6387 -1092.9932 0.0000 0.0000 2751.9734 6235.3940 303.9631 3483.4207 6268.7775 300.4646 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: 1138.08, 0.0039253/step Wall: 1138.08, 0.0039253/step, 2.41951 hours remaining, 110.789062 MB of memory in use. ENERGY: 281000 662.1510 1847.9999 1954.4365 106.0464 2.8404 -1090.1688 0.0000 0.0000 2741.1254 6224.4307 302.7649 3483.3053 6261.3342 300.4328 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: 1138.87, 0.00391598/step Wall: 1138.87, 0.00391598/step, 2.41355 hours remaining, 110.789062 MB of memory in use. ENERGY: 281200 674.8378 1822.1956 1971.1808 108.1953 1.4521 -1033.5491 0.0000 0.0000 2658.0667 6202.3791 293.5909 3544.3124 6234.7115 297.8180 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: 1139.65, 0.00391909/step Wall: 1139.65, 0.00391909/step, 2.41525 hours remaining, 110.789062 MB of memory in use. ENERGY: 281400 649.2647 1811.9134 1950.4454 109.2312 2.0885 -1057.6540 0.0000 0.0000 2752.4837 6217.7728 304.0195 3465.2891 6251.3169 300.0292 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: 1140.43, 0.00392071/step Wall: 1140.43, 0.00392071/step, 2.41603 hours remaining, 110.789062 MB of memory in use. ENERGY: 281600 665.9408 1865.1842 1960.1812 103.3447 3.5729 -1083.8067 0.0000 0.0000 2658.6611 6173.0781 293.6565 3514.4170 6202.5510 297.7157 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: 1141.22, 0.00392002/step Wall: 1141.22, 0.00392002/step, 2.41538 hours remaining, 110.789062 MB of memory in use. ENERGY: 281800 668.2178 1824.4893 1958.2984 110.0699 3.3660 -1033.6435 0.0000 0.0000 2641.9175 6172.7153 291.8071 3530.7978 6204.0927 295.6602 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: 1142, 0.00392135/step Wall: 1142, 0.00392135/step, 2.41598 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 282000 631.4078 1792.8764 1972.3327 98.1597 2.0784 -1074.0085 0.0000 0.0000 2752.7730 6175.6196 304.0514 3422.8465 6211.8846 296.6393 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: 1142.79, 0.00391556/step Wall: 1142.79, 0.00391556/step, 2.4122 hours remaining, 110.789062 MB of memory in use. ENERGY: 282200 676.9958 1864.8436 1956.4090 100.4054 2.3077 -1086.1999 0.0000 0.0000 2697.0580 6211.8195 297.8976 3514.7615 6246.2677 297.4493 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: 1143.57, 0.00391994/step Wall: 1143.57, 0.00391994/step, 2.41469 hours remaining, 110.789062 MB of memory in use. ENERGY: 282400 656.0213 1835.1980 1954.7187 105.0182 3.7049 -1086.8721 0.0000 0.0000 2743.5751 6211.3641 303.0355 3467.7891 6245.1529 300.4556 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: 1144.35, 0.00392086/step Wall: 1144.35, 0.00392086/step, 2.41503 hours remaining, 110.789062 MB of memory in use. ENERGY: 282600 661.6359 1812.5685 1946.6681 103.7747 2.6154 -1067.5999 0.0000 0.0000 2715.4548 6175.1175 299.9296 3459.6626 6210.6275 298.5783 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: 1145.14, 0.00392526/step Wall: 1145.14, 0.00392526/step, 2.41752 hours remaining, 110.789062 MB of memory in use. ENERGY: 282800 659.0785 1792.3902 1981.7978 110.6147 2.3505 -1072.3085 0.0000 0.0000 2711.3917 6185.3148 299.4808 3473.9231 6220.7308 296.1855 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: 1145.92, 0.00391811/step Wall: 1145.92, 0.00391811/step, 2.4129 hours remaining, 110.789062 MB of memory in use. ENERGY: 283000 644.7068 1817.0728 1981.9604 106.2523 1.4791 -1089.0585 0.0000 0.0000 2745.8430 6208.2558 303.2860 3462.4128 6244.2595 297.8232 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: 1146.71, 0.00392277/step Wall: 1146.71, 0.00392277/step, 2.41555 hours remaining, 110.789062 MB of memory in use. ENERGY: 283200 679.2663 1824.7598 1959.0853 112.1999 2.6584 -1081.8284 0.0000 0.0000 2715.6708 6211.8121 299.9534 3496.1413 6245.4706 298.3490 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: 1147.49, 0.00392135/step Wall: 1147.49, 0.00392135/step, 2.41446 hours remaining, 110.789062 MB of memory in use. ENERGY: 283400 630.3289 1795.6807 1963.2012 94.0292 3.9500 -1024.2218 0.0000 0.0000 2713.7639 6176.7320 299.7428 3462.9682 6209.5183 299.0566 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: 1148.28, 0.00392202/step Wall: 1148.28, 0.00392202/step, 2.41466 hours remaining, 110.789062 MB of memory in use. ENERGY: 283600 633.6327 1880.8250 1959.3266 125.7366 2.9830 -1054.1626 0.0000 0.0000 2626.2451 6174.5864 290.0761 3548.3413 6202.9731 297.3771 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: 1149.06, 0.00392092/step Wall: 1149.06, 0.00392092/step, 2.41376 hours remaining, 110.789062 MB of memory in use. ENERGY: 283800 681.7650 1873.6980 1962.6304 110.9283 2.1718 -1070.8406 0.0000 0.0000 2646.0508 6206.4038 292.2637 3560.3530 6236.4267 296.9198 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: 1149.84, 0.00391599/step Wall: 1149.84, 0.00391599/step, 2.41051 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 284000 661.4563 1847.0918 1980.9499 91.5599 2.0453 -1073.0654 0.0000 0.0000 2665.0861 6175.1240 294.3662 3510.0379 6202.9440 298.4583 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: 1150.63, 0.00391971/step Wall: 1150.63, 0.00391971/step, 2.41258 hours remaining, 110.789062 MB of memory in use. ENERGY: 284200 649.6359 1841.1483 1993.9367 101.3028 1.5871 -1084.3699 0.0000 0.0000 2694.9367 6198.1776 297.6633 3503.2409 6230.3767 296.5457 LDB: ============= START OF LOAD BALANCING ============== 1153.33 LDB: ============== END OF LOAD BALANCING =============== 1153.33 LDB: =============== DONE WITH MIGRATION ================ 1153.33 LDB: ============= START OF LOAD BALANCING ============== 1153.72 LDB: ============== END OF LOAD BALANCING =============== 1153.72 LDB: =============== DONE WITH MIGRATION ================ 1153.72 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: 1151.41, 0.00392321/step Wall: 1151.41, 0.00392321/step, 2.41452 hours remaining, 110.789062 MB of memory in use. ENERGY: 284400 694.1701 1859.7645 1953.7931 105.2288 1.9640 -1073.8934 0.0000 0.0000 2715.1682 6256.1952 299.8979 3541.0270 6287.9484 298.8914 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: 1152.2, 0.00391798/step Wall: 1152.2, 0.00391798/step, 2.41108 hours remaining, 110.789062 MB of memory in use. ENERGY: 284600 675.9788 1854.3367 1956.8820 101.6820 0.2498 -1045.4324 0.0000 0.0000 2791.0356 6334.7325 308.2777 3543.6969 6365.2366 302.8621 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: 1152.98, 0.00392141/step Wall: 1152.98, 0.00392141/step, 2.41298 hours remaining, 110.789062 MB of memory in use. ENERGY: 284800 631.8264 1852.7505 1972.2431 105.3258 0.2572 -1030.1503 0.0000 0.0000 2787.2801 6319.5329 307.8629 3532.2528 6354.0586 305.4462 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: 1153.76, 0.00391575/step Wall: 1153.76, 0.00391575/step, 2.40927 hours remaining, 110.789062 MB of memory in use. ENERGY: 285000 636.1826 1868.9087 1981.3120 117.3119 1.0346 -1057.2161 0.0000 0.0000 2749.4958 6297.0297 303.6895 3547.5339 6328.6491 304.6133 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: 1154.55, 0.00391996/step Wall: 1154.55, 0.00391996/step, 2.41165 hours remaining, 110.789062 MB of memory in use. ENERGY: 285200 635.6718 1851.6051 1985.3334 112.5347 1.1160 -1063.9216 0.0000 0.0000 2797.0821 6319.4214 308.9455 3522.3393 6353.0388 304.6574 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: 1155.33, 0.00391977/step Wall: 1155.33, 0.00391977/step, 2.41131 hours remaining, 110.789062 MB of memory in use. ENERGY: 285400 648.6161 1872.5162 1953.4211 105.1900 3.0187 -1055.3388 0.0000 0.0000 2767.6513 6295.0747 305.6948 3527.4233 6333.9592 304.7541 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: 1156.12, 0.00392772/step Wall: 1156.12, 0.00392772/step, 2.41598 hours remaining, 110.789062 MB of memory in use. ENERGY: 285600 634.3834 1846.6138 1970.3422 102.9377 3.0239 -1039.0801 0.0000 0.0000 2744.6318 6262.8528 303.1522 3518.2209 6299.7216 300.7216 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: 1156.9, 0.0039162/step Wall: 1156.9, 0.0039162/step, 2.40868 hours remaining, 110.789062 MB of memory in use. ENERGY: 285800 642.8353 1851.9975 1979.0981 98.3548 3.6771 -1068.2060 0.0000 0.0000 2703.2230 6210.9798 298.5785 3507.7568 6249.2691 299.9190 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: 1157.68, 0.00391886/step Wall: 1157.68, 0.00391886/step, 2.4101 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 286000 648.8357 1843.5255 1979.1799 98.7813 2.3196 -1083.8294 0.0000 0.0000 2684.8561 6173.6686 296.5498 3488.8124 6207.1096 298.5835 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: 1158.47, 0.0039207/step Wall: 1158.47, 0.0039207/step, 2.41101 hours remaining, 110.789062 MB of memory in use. ENERGY: 286200 680.4119 1826.4834 2006.7300 102.4350 1.9540 -1088.5651 0.0000 0.0000 2666.2532 6195.7024 294.4951 3529.4493 6226.2555 297.8437 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: 1159.25, 0.00391904/step Wall: 1159.25, 0.00391903/step, 2.40977 hours remaining, 110.789062 MB of memory in use. ENERGY: 286400 669.1207 1863.9632 1967.1852 107.8586 1.0799 -1072.6589 0.0000 0.0000 2642.8742 6179.4230 291.9128 3536.5488 6210.2965 298.4751 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: 1160.04, 0.00392255/step Wall: 1160.04, 0.00392256/step, 2.41172 hours remaining, 110.789062 MB of memory in use. ENERGY: 286600 648.8607 1835.3394 1987.5394 110.6821 1.9794 -1093.9586 0.0000 0.0000 2703.2160 6193.6584 298.5777 3490.4424 6225.3254 299.0316 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: 1160.82, 0.00391544/step Wall: 1160.82, 0.00391544/step, 2.40712 hours remaining, 110.789062 MB of memory in use. ENERGY: 286800 722.7822 1849.5671 1959.7857 113.1292 -0.3893 -1101.8021 0.0000 0.0000 2701.9469 6245.0197 298.4376 3543.0728 6275.7438 298.6141 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: 1161.6, 0.00392238/step Wall: 1161.6, 0.00392238/step, 2.41117 hours remaining, 110.789062 MB of memory in use. ENERGY: 287000 640.5344 1874.9877 1966.8309 102.0318 0.7608 -1082.9064 0.0000 0.0000 2758.0584 6260.2976 304.6352 3502.2392 6294.1241 301.8812 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: 1162.39, 0.00392282/step Wall: 1162.39, 0.00392282/step, 2.41122 hours remaining, 110.789062 MB of memory in use. ENERGY: 287200 671.9066 1851.6130 1953.8864 107.8690 0.7081 -1073.9791 0.0000 0.0000 2708.0248 6220.0288 299.1089 3512.0040 6255.2293 300.2928 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: 1163.17, 0.00392206/step Wall: 1163.17, 0.00392205/step, 2.41054 hours remaining, 110.789062 MB of memory in use. ENERGY: 287400 677.2246 1842.1346 1948.2355 112.4666 0.6639 -1053.4058 0.0000 0.0000 2725.3336 6252.6529 301.0207 3527.3194 6287.6718 300.1779 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: 1163.96, 0.00391482/step Wall: 1163.96, 0.00391483/step, 2.40588 hours remaining, 110.789062 MB of memory in use. ENERGY: 287600 618.8960 1832.9536 1962.3302 101.3265 0.9933 -1079.5257 0.0000 0.0000 2758.4683 6195.4422 304.6805 3436.9739 6228.1976 300.6018 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: 1164.74, 0.00392196/step Wall: 1164.74, 0.00392196/step, 2.41004 hours remaining, 110.789062 MB of memory in use. ENERGY: 287800 671.5965 1810.8831 1940.5578 107.6717 1.0495 -1110.0257 0.0000 0.0000 2704.0280 6125.7609 298.6674 3421.7329 6157.7403 296.2462 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: 1165.52, 0.00392238/step Wall: 1165.52, 0.00392238/step, 2.41009 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 288000 631.1271 1829.2055 1964.2647 121.0390 0.7828 -1077.9666 0.0000 0.0000 2652.4765 6120.9289 292.9734 3468.4524 6155.5380 295.7523 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: 1166.31, 0.00392234/step Wall: 1166.31, 0.00392234/step, 2.40984 hours remaining, 110.789062 MB of memory in use. ENERGY: 288200 652.2100 1846.3108 1938.4705 113.2374 1.6994 -1099.1712 0.0000 0.0000 2683.6152 6136.3721 296.4128 3452.7569 6167.1753 294.9350 LDB: ============= START OF LOAD BALANCING ============== 1169.01 LDB: ============== END OF LOAD BALANCING =============== 1169.01 LDB: =============== DONE WITH MIGRATION ================ 1169.01 LDB: ============= START OF LOAD BALANCING ============== 1169.4 LDB: ============== END OF LOAD BALANCING =============== 1169.4 LDB: =============== DONE WITH MIGRATION ================ 1169.4 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: 1167.09, 0.00392639/step Wall: 1167.09, 0.00392639/step, 2.41211 hours remaining, 110.789062 MB of memory in use. ENERGY: 288400 647.8451 1833.9415 1931.5904 117.0028 1.9114 -1070.5734 0.0000 0.0000 2674.0172 6135.7350 295.3526 3461.7179 6167.8539 294.5140 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: 1167.88, 0.00391659/step Wall: 1167.88, 0.00391659/step, 2.40588 hours remaining, 110.789062 MB of memory in use. ENERGY: 288600 650.4829 1786.1105 1967.8905 112.0685 1.8509 -1041.1397 0.0000 0.0000 2713.4370 6190.7006 299.7067 3477.2636 6223.2056 296.1225 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: 1168.66, 0.00392529/step Wall: 1168.66, 0.00392529/step, 2.411 hours remaining, 110.789062 MB of memory in use. ENERGY: 288800 638.7349 1829.7560 1976.7078 100.7663 -0.0878 -1071.4122 0.0000 0.0000 2623.0212 6097.4861 289.7200 3474.4650 6126.1941 294.7262 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: 1169.45, 0.00392376/step Wall: 1169.45, 0.00392376/step, 2.40985 hours remaining, 110.789062 MB of memory in use. ENERGY: 289000 627.1159 1861.7726 1975.6899 117.0284 1.6832 -1108.2147 0.0000 0.0000 2662.7428 6137.8181 294.1074 3475.0753 6170.4859 295.3502 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: 1170.23, 0.00392258/step Wall: 1170.23, 0.00392258/step, 2.4089 hours remaining, 110.789062 MB of memory in use. ENERGY: 289200 664.4781 1834.1324 1968.1476 103.6725 1.7853 -1096.6620 0.0000 0.0000 2648.3310 6123.8849 292.5155 3475.5539 6156.8291 294.7603 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: 1171.02, 0.00392432/step Wall: 1171.02, 0.00392432/step, 2.40975 hours remaining, 110.789062 MB of memory in use. ENERGY: 289400 660.3044 1820.3549 1997.0542 99.8644 2.8401 -1114.4418 0.0000 0.0000 2689.3208 6155.2969 297.0430 3465.9762 6187.8519 296.6981 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: 1171.8, 0.00391712/step Wall: 1171.8, 0.00391712/step, 2.40511 hours remaining, 110.789062 MB of memory in use. ENERGY: 289600 620.3553 1903.4734 1961.5874 111.7607 3.4669 -1119.7012 0.0000 0.0000 2666.1761 6147.1186 294.4866 3480.9425 6178.2971 295.6046 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: 1172.59, 0.00392292/step Wall: 1172.59, 0.00392292/step, 2.40846 hours remaining, 110.789062 MB of memory in use. ENERGY: 289800 653.6283 1850.4607 1970.8229 122.6916 1.3516 -1079.1343 0.0000 0.0000 2697.7635 6217.5843 297.9755 3519.8208 6248.6812 297.0708 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: 1173.37, 0.00392216/step Wall: 1173.37, 0.00392216/step, 2.40777 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 290000 622.2357 1872.0302 1931.4423 105.4463 2.3081 -1060.6500 0.0000 0.0000 2708.9340 6181.7467 299.2093 3472.8126 6215.8875 298.8427 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 290000 WRITING COORDINATES TO DCD FILE MD.1.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: 1174.18, 0.00407234/step Wall: 1174.18, 0.00407234/step, 2.49974 hours remaining, 110.789062 MB of memory in use. ENERGY: 290200 637.8252 1830.1321 1960.9131 107.1758 2.7591 -1052.4331 0.0000 0.0000 2661.3598 6147.7319 293.9546 3486.3721 6179.5812 297.4611 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: 1174.97, 0.00391659/step Wall: 1174.97, 0.00391659/step, 2.40392 hours remaining, 110.789062 MB of memory in use. ENERGY: 290400 652.9009 1843.0481 1960.5520 114.7987 2.4521 -1081.3041 0.0000 0.0000 2710.1515 6202.5992 299.3438 3492.4477 6235.4823 297.7970 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: 1175.75, 0.00392287/step Wall: 1175.75, 0.00392287/step, 2.40755 hours remaining, 110.789062 MB of memory in use. ENERGY: 290600 654.2006 1828.9052 1948.0938 104.8221 2.3376 -1081.5416 0.0000 0.0000 2708.3107 6165.1284 299.1405 3456.8178 6199.9990 298.2311 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: 1176.54, 0.00392314/step Wall: 1176.54, 0.00392314/step, 2.4075 hours remaining, 110.789062 MB of memory in use. ENERGY: 290800 641.6960 1814.3224 1930.0443 119.7857 2.8474 -1073.9830 0.0000 0.0000 2688.2743 6122.9870 296.9274 3434.7127 6155.4757 295.3411 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: 1177.32, 0.00392492/step Wall: 1177.32, 0.00392492/step, 2.40837 hours remaining, 110.789062 MB of memory in use. ENERGY: 291000 678.2033 1804.2805 1963.4462 119.8101 1.9886 -1096.8603 0.0000 0.0000 2744.3171 6215.1854 303.1175 3470.8683 6249.7978 297.3259 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: 1178.11, 0.00392295/step Wall: 1178.11, 0.00392295/step, 2.40694 hours remaining, 110.789062 MB of memory in use. ENERGY: 291200 656.7918 1828.3276 1975.1071 111.9130 1.3672 -1055.4364 0.0000 0.0000 2701.0535 6219.1238 298.3389 3518.0703 6253.4922 300.0503 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: 1178.89, 0.0039183/step Wall: 1178.89, 0.0039183/step, 2.40388 hours remaining, 110.789062 MB of memory in use. ENERGY: 291400 670.4640 1869.4097 1965.2536 101.3410 1.6708 -1069.6915 0.0000 0.0000 2746.4910 6284.9385 303.3576 3538.4475 6317.7720 300.2154 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: 1179.67, 0.00392334/step Wall: 1179.67, 0.00392334/step, 2.40675 hours remaining, 110.789062 MB of memory in use. ENERGY: 291600 669.8369 1900.8431 1957.0437 101.3735 1.2567 -1069.4333 0.0000 0.0000 2724.2695 6285.1900 300.9032 3560.9206 6316.7398 301.4129 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: 1180.46, 0.00392508/step Wall: 1180.46, 0.00392508/step, 2.4076 hours remaining, 110.789062 MB of memory in use. ENERGY: 291800 650.8073 1907.0602 1990.9818 111.1729 3.3801 -1074.8585 0.0000 0.0000 2691.6082 6280.1520 297.2956 3588.5437 6310.2933 301.4100 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: 1181.24, 0.00392252/step Wall: 1181.24, 0.00392251/step, 2.40581 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 292000 665.8821 1848.1222 1982.2084 104.8469 3.0968 -1080.2899 0.0000 0.0000 2814.9626 6338.8292 310.9205 3523.8666 6371.1761 304.9206 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: 1182.03, 0.00392376/step Wall: 1182.03, 0.00392377/step, 2.40636 hours remaining, 110.789062 MB of memory in use. ENERGY: 292200 646.8574 1905.9930 1988.5217 107.4153 3.1445 -1073.8919 0.0000 0.0000 2801.8518 6379.8918 309.4723 3578.0399 6416.8801 307.2276 LDB: ============= START OF LOAD BALANCING ============== 1184.73 LDB: ============== END OF LOAD BALANCING =============== 1184.73 LDB: =============== DONE WITH MIGRATION ================ 1184.73 LDB: ============= START OF LOAD BALANCING ============== 1185.12 LDB: ============== END OF LOAD BALANCING =============== 1185.12 LDB: =============== DONE WITH MIGRATION ================ 1185.12 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: 1182.81, 0.00392156/step Wall: 1182.81, 0.00392156/step, 2.40479 hours remaining, 110.789062 MB of memory in use. ENERGY: 292400 645.6101 1857.7438 1989.9863 101.0798 2.9707 -1056.6747 0.0000 0.0000 2806.4379 6347.1538 309.9789 3540.7159 6382.4965 307.2484 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: 1183.6, 0.00392236/step Wall: 1183.6, 0.00392236/step, 2.40506 hours remaining, 110.789062 MB of memory in use. ENERGY: 292600 684.1574 1845.6876 1986.1935 104.9345 1.5217 -1044.7559 0.0000 0.0000 2741.2625 6319.0013 302.7801 3577.7388 6353.4544 305.8199 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: 1184.38, 0.00392465/step Wall: 1184.38, 0.00392465/step, 2.40625 hours remaining, 110.789062 MB of memory in use. ENERGY: 292800 674.2363 1856.9630 1982.3572 103.6182 2.1495 -1081.8889 0.0000 0.0000 2736.7174 6274.1526 302.2781 3537.4353 6310.0377 304.0682 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: 1185.17, 0.00392429/step Wall: 1185.17, 0.00392429/step, 2.40581 hours remaining, 110.789062 MB of memory in use. ENERGY: 293000 627.1316 1867.2700 1964.7121 100.5700 2.7201 -1076.4154 0.0000 0.0000 2743.6429 6229.6312 303.0430 3485.9883 6262.7802 300.6877 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: 1185.95, 0.00391679/step Wall: 1185.95, 0.00391679/step, 2.40099 hours remaining, 110.789062 MB of memory in use. ENERGY: 293200 620.7815 1869.1735 1941.5944 108.1541 3.2968 -1062.7580 0.0000 0.0000 2725.4710 6205.7134 301.0359 3480.2424 6237.6972 298.7581 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: 1186.74, 0.00392533/step Wall: 1186.74, 0.00392533/step, 2.40601 hours remaining, 110.789062 MB of memory in use. ENERGY: 293400 651.7373 1853.0951 1944.8498 109.4018 3.3746 -1051.9019 0.0000 0.0000 2752.7733 6263.3300 304.0515 3510.5567 6297.5801 300.1446 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: 1187.52, 0.0039226/step Wall: 1187.52, 0.00392259/step, 2.40411 hours remaining, 110.789062 MB of memory in use. ENERGY: 293600 680.2226 1817.7795 1962.2995 114.0803 2.8672 -1068.3254 0.0000 0.0000 2761.4155 6270.3392 305.0060 3508.9237 6305.6191 301.9174 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: 1188.3, 0.0039229/step Wall: 1188.3, 0.0039229/step, 2.40408 hours remaining, 110.789062 MB of memory in use. ENERGY: 293800 690.0501 1893.3044 1971.6974 108.7382 3.6713 -1126.8778 0.0000 0.0000 2745.2338 6285.8174 303.2187 3540.5836 6319.4233 303.0504 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: 1189.09, 0.00392305/step Wall: 1189.09, 0.00392305/step, 2.40396 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 294000 682.2923 1864.9487 1941.8965 105.6903 1.5413 -1136.5520 0.0000 0.0000 2787.3500 6247.1672 307.8706 3459.8173 6284.1577 302.8469 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: 1189.87, 0.00391652/step Wall: 1189.87, 0.00391652/step, 2.39974 hours remaining, 110.789062 MB of memory in use. ENERGY: 294200 666.7905 1837.9162 1956.2957 116.5495 1.8276 -1068.4728 0.0000 0.0000 2706.4525 6217.3592 298.9352 3510.9067 6251.3126 302.1506 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: 1190.66, 0.00392378/step Wall: 1190.66, 0.00392378/step, 2.40397 hours remaining, 110.789062 MB of memory in use. ENERGY: 294400 678.9575 1845.8444 1940.0186 108.3351 2.1026 -1095.9951 0.0000 0.0000 2719.2246 6198.4878 300.3459 3479.2631 6230.2419 298.6896 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: 1191.44, 0.00392314/step Wall: 1191.44, 0.00392314/step, 2.40336 hours remaining, 110.789062 MB of memory in use. ENERGY: 294600 638.6848 1860.4869 1958.9374 115.9029 0.7030 -1079.6267 0.0000 0.0000 2746.3674 6241.4558 303.3439 3495.0883 6274.5140 299.8026 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: 1192.23, 0.00392368/step Wall: 1192.23, 0.00392368/step, 2.40347 hours remaining, 110.789062 MB of memory in use. ENERGY: 294800 674.1636 1863.9705 1980.6288 110.9555 1.3412 -1118.6871 0.0000 0.0000 2754.0938 6266.4663 304.1973 3512.3726 6304.6222 302.0219 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: 1193.01, 0.00391699/step Wall: 1193.01, 0.00391699/step, 2.39916 hours remaining, 110.789062 MB of memory in use. ENERGY: 295000 625.8436 1868.3555 1979.1373 115.0502 2.2985 -1102.4159 0.0000 0.0000 2743.6990 6231.9682 303.0492 3488.2691 6265.0740 302.6132 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: 1193.8, 0.00392478/step Wall: 1193.8, 0.00392478/step, 2.40371 hours remaining, 110.789062 MB of memory in use. ENERGY: 295200 632.8377 1853.0843 1941.7799 102.4302 2.2427 -1072.2059 0.0000 0.0000 2766.3097 6226.4786 305.5466 3460.1688 6261.2104 300.2962 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: 1194.58, 0.00392366/step Wall: 1194.58, 0.00392366/step, 2.40281 hours remaining, 110.789062 MB of memory in use. ENERGY: 295400 668.1065 1806.8812 1973.6610 110.7386 2.0549 -1103.9725 0.0000 0.0000 2711.9902 6169.4598 299.5469 3457.4696 6200.2290 299.2397 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: 1195.36, 0.00392451/step Wall: 1195.36, 0.0039245/step, 2.4031 hours remaining, 110.789062 MB of memory in use. ENERGY: 295600 669.6495 1871.1102 1990.7639 103.5267 1.5437 -1093.5665 0.0000 0.0000 2675.5973 6218.6248 295.5272 3543.0274 6252.2381 299.7850 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: 1196.15, 0.00392749/step Wall: 1196.15, 0.00392749/step, 2.40472 hours remaining, 110.789062 MB of memory in use. ENERGY: 295800 645.7340 1860.4255 1963.7697 102.5842 0.9245 -1072.4213 0.0000 0.0000 2685.4925 6186.5091 296.6201 3501.0166 6220.3501 300.4059 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: 1196.93, 0.00391762/step Wall: 1196.93, 0.00391762/step, 2.39845 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 296000 635.8919 1836.8735 1970.8854 101.3054 1.2271 -1081.4167 0.0000 0.0000 2673.5166 6138.2832 295.2974 3464.7666 6170.4066 298.4826 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: 1197.72, 0.00392175/step Wall: 1197.72, 0.00392175/step, 2.40076 hours remaining, 110.789062 MB of memory in use. ENERGY: 296200 639.0722 1839.6580 1970.9129 94.5743 1.7687 -1104.4058 0.0000 0.0000 2670.9590 6112.5392 295.0149 3441.5802 6146.0298 296.1362 LDB: ============= START OF LOAD BALANCING ============== 1200.42 LDB: ============== END OF LOAD BALANCING =============== 1200.42 LDB: =============== DONE WITH MIGRATION ================ 1200.42 LDB: ============= START OF LOAD BALANCING ============== 1200.81 LDB: ============== END OF LOAD BALANCING =============== 1200.81 LDB: =============== DONE WITH MIGRATION ================ 1200.81 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: 1198.5, 0.00392739/step Wall: 1198.5, 0.00392739/step, 2.404 hours remaining, 110.789062 MB of memory in use. ENERGY: 296400 613.8822 1819.0051 1931.4182 103.3284 0.8619 -1099.1834 0.0000 0.0000 2728.8725 6098.1847 301.4116 3369.3123 6132.4756 294.7198 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: 1199.29, 0.00391994/step Wall: 1199.29, 0.00391994/step, 2.39922 hours remaining, 110.789062 MB of memory in use. ENERGY: 296600 620.7603 1891.0814 1948.2871 111.2542 0.7972 -1059.0227 0.0000 0.0000 2624.4407 6137.5981 289.8768 3513.1575 6168.8097 295.1906 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: 1200.07, 0.00392046/step Wall: 1200.07, 0.00392046/step, 2.39932 hours remaining, 110.789062 MB of memory in use. ENERGY: 296800 641.2592 1840.5416 1951.7981 114.7285 -0.6750 -1057.3161 0.0000 0.0000 2730.5168 6220.8531 301.5932 3490.3363 6256.3257 297.7632 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: 1200.86, 0.00391732/step Wall: 1200.86, 0.00391732/step, 2.39718 hours remaining, 110.789062 MB of memory in use. ENERGY: 297000 605.5803 1876.6215 1949.5646 110.6681 2.0459 -1040.8533 0.0000 0.0000 2661.4594 6165.0863 293.9656 3503.6269 6197.5614 298.0980 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: 1201.66, 0.0040346/step Wall: 1201.66, 0.0040346/step, 2.46872 hours remaining, 110.789062 MB of memory in use. ENERGY: 297200 620.4540 1857.5009 1934.4445 96.6072 1.3004 -1079.7863 0.0000 0.0000 2727.2576 6157.7782 301.2332 3430.5206 6193.1610 297.8497 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: 1202.45, 0.00391961/step Wall: 1202.45, 0.00391961/step, 2.39815 hours remaining, 110.789062 MB of memory in use. ENERGY: 297400 649.4528 1830.5043 1956.1423 107.4635 1.1628 -1110.3889 0.0000 0.0000 2719.3268 6153.6635 300.3572 3434.3367 6187.7248 295.7095 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: 1203.23, 0.00391637/step Wall: 1203.23, 0.00391637/step, 2.39595 hours remaining, 110.789062 MB of memory in use. ENERGY: 297600 666.7791 1884.0002 1936.1932 113.0706 2.3384 -1114.4024 0.0000 0.0000 2685.6521 6173.6313 296.6378 3487.9791 6207.5492 296.1855 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: 1204.01, 0.00391754/step Wall: 1204.01, 0.00391754/step, 2.39644 hours remaining, 110.789062 MB of memory in use. ENERGY: 297800 650.7160 1891.7084 1977.4450 122.5889 1.2509 -1108.1355 0.0000 0.0000 2634.8278 6170.4016 291.0241 3535.5738 6201.8215 296.9491 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: 1204.8, 0.00392707/step Wall: 1204.8, 0.00392707/step, 2.40206 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 298000 653.6221 1853.5404 1971.9711 110.6549 1.6873 -1106.5113 0.0000 0.0000 2705.8127 6190.7773 298.8646 3484.9646 6223.8585 297.6359 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: 1205.58, 0.00391806/step Wall: 1205.58, 0.00391806/step, 2.39633 hours remaining, 110.789062 MB of memory in use. ENERGY: 298200 626.8038 1821.5954 1979.1964 110.4105 1.7792 -1098.0109 0.0000 0.0000 2734.7941 6176.5685 302.0656 3441.7743 6212.4726 299.4960 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: 1206.37, 0.00392035/step Wall: 1206.37, 0.00392035/step, 2.39751 hours remaining, 110.789062 MB of memory in use. ENERGY: 298400 661.4474 1858.5438 1951.4346 110.9359 -0.3031 -1091.7679 0.0000 0.0000 2686.4467 6176.7374 296.7255 3490.2906 6208.8948 299.1868 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: 1207.15, 0.00391827/step Wall: 1207.15, 0.00391827/step, 2.39602 hours remaining, 110.789062 MB of memory in use. ENERGY: 298600 647.5557 1870.5575 1952.2887 114.4661 -0.3010 -1078.6635 0.0000 0.0000 2703.3542 6209.2577 298.5930 3505.9035 6241.5712 300.0903 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: 1207.93, 0.00391836/step Wall: 1207.93, 0.00391835/step, 2.39586 hours remaining, 110.789062 MB of memory in use. ENERGY: 298800 675.7353 1870.6437 1951.9628 105.4998 1.5444 -1089.5901 0.0000 0.0000 2713.0758 6228.8717 299.6668 3515.7959 6263.3803 300.3753 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: 1208.72, 0.00391842/step Wall: 1208.72, 0.00391842/step, 2.39568 hours remaining, 110.789062 MB of memory in use. ENERGY: 299000 656.3948 1860.9990 1930.7952 116.6318 1.6321 -1109.6717 0.0000 0.0000 2719.1842 6175.9654 300.3415 3456.7812 6211.6798 300.4847 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: 1209.5, 0.00391835/step Wall: 1209.5, 0.00391836/step, 2.39542 hours remaining, 110.789062 MB of memory in use. ENERGY: 299200 666.2082 1828.4539 1957.7531 100.1800 1.4023 -1099.1019 0.0000 0.0000 2713.1502 6168.0459 299.6750 3454.8957 6201.5526 297.9811 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: 1210.28, 0.00391955/step Wall: 1210.28, 0.00391955/step, 2.39593 hours remaining, 110.789062 MB of memory in use. ENERGY: 299400 675.5747 1782.2016 1953.3284 111.2039 0.5236 -1045.4271 0.0000 0.0000 2724.7885 6202.1938 300.9605 3477.4052 6237.6019 299.2884 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: 1211.07, 0.00391952/step Wall: 1211.07, 0.00391952/step, 2.3957 hours remaining, 110.789062 MB of memory in use. ENERGY: 299600 676.7592 1893.4142 1921.0602 113.4276 0.9420 -1053.9763 0.0000 0.0000 2728.4258 6280.0527 301.3622 3551.6269 6314.1577 302.2858 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: 1211.85, 0.00391904/step Wall: 1211.85, 0.00391904/step, 2.39519 hours remaining, 110.789062 MB of memory in use. ENERGY: 299800 667.8966 1863.9785 1981.1796 103.4146 1.6430 -1072.1773 0.0000 0.0000 2716.9589 6262.8938 300.0957 3545.9349 6296.7199 304.0104 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: 1212.64, 0.00391895/step Wall: 1212.64, 0.00391895/step, 2.39491 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 300000 659.5591 1860.9105 1958.6088 112.9998 0.9579 -1099.3536 0.0000 0.0000 2742.2762 6235.9587 302.8921 3493.6825 6270.1203 300.9635 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 300000 WRITING COORDINATES TO DCD FILE MD.1.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: 1213.48, 0.00423589/step Wall: 1213.48, 0.00423589/step, 2.58836 hours remaining, 110.789062 MB of memory in use. ENERGY: 300200 658.8593 1863.3738 1953.5616 113.3184 0.9426 -1089.9677 0.0000 0.0000 2741.0350 6241.1230 302.7550 3500.0879 6274.3930 301.2673 LDB: ============= START OF LOAD BALANCING ============== 1216.19 LDB: ============== END OF LOAD BALANCING =============== 1216.19 LDB: =============== DONE WITH MIGRATION ================ 1216.19 LDB: ============= START OF LOAD BALANCING ============== 1216.58 LDB: ============== END OF LOAD BALANCING =============== 1216.58 LDB: =============== DONE WITH MIGRATION ================ 1216.58 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: 1214.27, 0.00393883/step Wall: 1214.27, 0.00393883/step, 2.40663 hours remaining, 110.789062 MB of memory in use. ENERGY: 300400 627.1005 1894.3897 1946.4168 117.3358 1.8066 -1071.7490 0.0000 0.0000 2700.7895 6216.0899 298.3097 3515.3004 6251.0286 301.8908 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: 1215.05, 0.00391919/step Wall: 1215.05, 0.00391919/step, 2.39441 hours remaining, 110.789062 MB of memory in use. ENERGY: 300600 657.9164 1801.0104 1960.8007 112.2958 1.8419 -1093.4955 0.0000 0.0000 2735.0098 6175.3795 302.0895 3440.3696 6204.6372 297.2082 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: 1215.84, 0.00392233/step Wall: 1215.84, 0.00392233/step, 2.39611 hours remaining, 110.789062 MB of memory in use. ENERGY: 300800 642.6953 1852.9128 1955.6151 108.9418 1.5907 -1097.5027 0.0000 0.0000 2681.3189 6145.5720 296.1591 3464.2531 6179.4592 296.4081 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: 1216.62, 0.00392234/step Wall: 1216.62, 0.00392234/step, 2.3959 hours remaining, 110.789062 MB of memory in use. ENERGY: 301000 686.1580 1820.0260 1963.7929 96.7936 2.8812 -1087.0674 0.0000 0.0000 2666.3238 6148.9080 294.5029 3482.5842 6178.1143 297.1198 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: 1217.41, 0.00392128/step Wall: 1217.41, 0.00392128/step, 2.39503 hours remaining, 110.789062 MB of memory in use. ENERGY: 301200 644.2073 1839.7087 1976.6097 101.1658 2.7198 -1073.8626 0.0000 0.0000 2661.1604 6151.7091 293.9326 3490.5487 6183.4892 296.3332 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: 1218.19, 0.00392132/step Wall: 1218.19, 0.00392132/step, 2.39484 hours remaining, 110.789062 MB of memory in use. ENERGY: 301400 646.8623 1830.5252 1941.7044 104.2622 2.5162 -1098.8250 0.0000 0.0000 2687.2431 6114.2884 296.8135 3427.0453 6145.9723 294.3246 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: 1218.98, 0.00391636/step Wall: 1218.98, 0.00391636/step, 2.39159 hours remaining, 110.789062 MB of memory in use. ENERGY: 301600 632.6147 1798.6536 1982.2303 109.0389 2.5839 -1084.1775 0.0000 0.0000 2696.7294 6137.6734 297.8613 3440.9440 6171.5219 294.5078 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: 1219.76, 0.00392226/step Wall: 1219.76, 0.00392226/step, 2.39498 hours remaining, 110.789062 MB of memory in use. ENERGY: 301800 633.8565 1810.0244 1962.6750 107.3453 2.1720 -1090.0702 0.0000 0.0000 2690.4191 6116.4221 297.1643 3426.0030 6151.3393 296.1147 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: 1220.54, 0.00392274/step Wall: 1220.54, 0.00392274/step, 2.39505 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 302000 672.8980 1806.9463 1954.5811 110.5924 2.4828 -1080.0357 0.0000 0.0000 2665.5074 6132.9722 294.4127 3467.4648 6166.4835 293.4428 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: 1221.33, 0.00392102/step Wall: 1221.33, 0.00392102/step, 2.39378 hours remaining, 110.789062 MB of memory in use. ENERGY: 302200 598.8909 1922.4717 1946.9930 111.1567 1.8401 -1107.6032 0.0000 0.0000 2676.3532 6150.1024 295.6107 3473.7492 6183.8894 294.3831 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: 1222.11, 0.00392143/step Wall: 1222.11, 0.00392143/step, 2.39382 hours remaining, 110.789062 MB of memory in use. ENERGY: 302400 670.0045 1851.8159 1950.8212 114.8593 1.3785 -1083.0428 0.0000 0.0000 2659.5361 6165.3729 293.7532 3505.8367 6196.3288 297.5886 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: 1222.9, 0.00391649/step Wall: 1222.9, 0.00391649/step, 2.39058 hours remaining, 110.789062 MB of memory in use. ENERGY: 302600 612.6948 1838.8098 1938.5012 113.4071 1.8798 -1046.2333 0.0000 0.0000 2731.2249 6190.2843 301.6714 3459.0594 6223.9227 297.8096 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: 1223.68, 0.00392179/step Wall: 1223.68, 0.00392179/step, 2.3936 hours remaining, 110.789062 MB of memory in use. ENERGY: 302800 652.4005 1841.9372 1941.7055 105.8034 1.6881 -1093.3557 0.0000 0.0000 2758.6747 6208.8536 304.7033 3450.1789 6244.1505 299.0331 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: 1224.47, 0.00392231/step Wall: 1224.47, 0.00392231/step, 2.3937 hours remaining, 110.789062 MB of memory in use. ENERGY: 303000 653.0884 1862.0669 1959.3659 108.7862 1.1595 -1073.6812 0.0000 0.0000 2744.2362 6255.0219 303.1085 3510.7857 6289.4444 300.8704 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: 1225.25, 0.00391999/step Wall: 1225.25, 0.00391999/step, 2.39206 hours remaining, 110.789062 MB of memory in use. ENERGY: 303200 635.2361 1825.4693 1967.6399 108.1901 2.0180 -1053.2668 0.0000 0.0000 2728.1164 6213.4031 301.3281 3485.2866 6248.2628 300.3500 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: 1226.03, 0.00391616/step Wall: 1226.03, 0.00391616/step, 2.38951 hours remaining, 110.789062 MB of memory in use. ENERGY: 303400 651.0379 1837.8830 1972.2633 106.1743 2.5569 -1060.1369 0.0000 0.0000 2692.3376 6202.1162 297.3762 3509.7786 6234.2143 297.8017 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: 1226.82, 0.0039207/step Wall: 1226.82, 0.0039207/step, 2.39207 hours remaining, 110.789062 MB of memory in use. ENERGY: 303600 618.9313 1823.0765 1950.2930 106.0568 1.4038 -1021.9055 0.0000 0.0000 2709.6520 6187.5078 299.2886 3477.8559 6222.1332 298.2505 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: 1227.6, 0.00392071/step Wall: 1227.6, 0.00392071/step, 2.39185 hours remaining, 110.789062 MB of memory in use. ENERGY: 303800 665.5410 1840.4127 1939.5481 102.7698 2.5614 -1055.5679 0.0000 0.0000 2646.1358 6141.4009 292.2731 3495.2651 6174.0248 296.8320 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: 1228.39, 0.00392231/step Wall: 1228.39, 0.00392231/step, 2.39261 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 304000 632.6553 1835.5259 1959.9371 104.0654 2.6855 -1087.1056 0.0000 0.0000 2700.3094 6148.0730 298.2567 3447.7636 6179.5119 296.4782 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: 1229.17, 0.0039188/step Wall: 1229.17, 0.0039188/step, 2.39025 hours remaining, 110.789062 MB of memory in use. ENERGY: 304200 627.5441 1848.6769 1934.5280 114.5262 2.2628 -1122.9797 0.0000 0.0000 2749.3033 6153.8616 303.6682 3404.5583 6186.6619 296.8412 LDB: ============= START OF LOAD BALANCING ============== 1231.87 LDB: ============== END OF LOAD BALANCING =============== 1231.87 LDB: =============== DONE WITH MIGRATION ================ 1231.87 LDB: ============= START OF LOAD BALANCING ============== 1232.26 LDB: ============== END OF LOAD BALANCING =============== 1232.26 LDB: =============== DONE WITH MIGRATION ================ 1232.26 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: 1229.95, 0.00392065/step Wall: 1229.95, 0.00392065/step, 2.39116 hours remaining, 110.789062 MB of memory in use. ENERGY: 304400 637.0717 1872.5627 1967.7234 104.5668 2.2902 -1089.0260 0.0000 0.0000 2666.2622 6161.4511 294.4961 3495.1889 6195.7219 296.0301 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: 1230.74, 0.0039217/step Wall: 1230.74, 0.0039217/step, 2.39158 hours remaining, 110.789062 MB of memory in use. ENERGY: 304600 658.2634 1858.2731 1961.1475 108.0751 4.1830 -1109.3716 0.0000 0.0000 2719.3089 6199.8793 300.3552 3480.5705 6233.3947 299.2569 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: 1231.52, 0.00392228/step Wall: 1231.52, 0.00392228/step, 2.39172 hours remaining, 110.789062 MB of memory in use. ENERGY: 304800 656.6851 1888.4294 1929.6855 103.9594 0.5849 -1078.9223 0.0000 0.0000 2682.7600 6183.1819 296.3183 3500.4219 6217.6961 299.3407 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: 1232.31, 0.00392068/step Wall: 1232.31, 0.00392068/step, 2.39053 hours remaining, 110.789062 MB of memory in use. ENERGY: 305000 658.1859 1849.6869 1944.5245 104.1773 1.5428 -1075.3974 0.0000 0.0000 2718.2065 6200.9265 300.2335 3482.7200 6234.6171 297.7012 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: 1233.09, 0.00391701/step Wall: 1233.09, 0.00391701/step, 2.38807 hours remaining, 110.789062 MB of memory in use. ENERGY: 305200 653.1069 1812.4944 1935.9834 93.7438 2.2355 -1074.2407 0.0000 0.0000 2680.5071 6103.8303 296.0695 3423.3232 6136.1324 294.1549 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: 1233.87, 0.00392252/step Wall: 1233.87, 0.00392252/step, 2.39121 hours remaining, 110.789062 MB of memory in use. ENERGY: 305400 640.5244 1904.9274 1949.4430 100.5658 0.7577 -1081.1988 0.0000 0.0000 2676.4461 6191.4655 295.6209 3515.0194 6221.9196 296.2757 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: 1234.66, 0.00392258/step Wall: 1234.66, 0.00392258/step, 2.39103 hours remaining, 110.789062 MB of memory in use. ENERGY: 305600 658.9627 1890.2824 1943.3734 107.9272 2.2919 -1104.1762 0.0000 0.0000 2713.9629 6212.6244 299.7648 3498.6615 6244.5907 300.4160 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: 1235.44, 0.00392116/step Wall: 1235.44, 0.00392116/step, 2.38995 hours remaining, 110.789062 MB of memory in use. ENERGY: 305800 658.0989 1892.5009 1952.7038 106.5524 2.2666 -1093.7950 0.0000 0.0000 2731.3663 6249.6939 301.6870 3518.3277 6283.2487 302.2466 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: 1236.23, 0.00393091/step Wall: 1236.23, 0.00393091/step, 2.39567 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 306000 661.9154 1867.1641 1908.6566 102.9642 2.1073 -1054.8802 0.0000 0.0000 2709.0204 6196.9478 299.2189 3487.9274 6228.3688 302.1713 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: 1237.01, 0.0039178/step Wall: 1237.01, 0.0039178/step, 2.38747 hours remaining, 110.789062 MB of memory in use. ENERGY: 306200 624.5508 1867.9922 1928.7274 111.3787 1.3917 -1090.2405 0.0000 0.0000 2754.0955 6197.8959 304.1975 3443.8004 6231.8021 299.8562 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: 1237.8, 0.00392414/step Wall: 1237.8, 0.00392414/step, 2.39111 hours remaining, 110.789062 MB of memory in use. ENERGY: 306400 639.6650 1798.2938 1945.3823 104.1902 1.7656 -1066.9561 0.0000 0.0000 2762.3682 6184.7091 305.1113 3422.3409 6219.3157 298.5095 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: 1238.58, 0.00392343/step Wall: 1238.58, 0.00392343/step, 2.39046 hours remaining, 110.789062 MB of memory in use. ENERGY: 306600 668.5651 1872.9557 1913.0302 113.2444 2.1004 -1074.8877 0.0000 0.0000 2719.2008 6214.2090 300.3433 3495.0081 6250.2069 299.6002 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: 1239.37, 0.00392254/step Wall: 1239.37, 0.00392254/step, 2.3897 hours remaining, 110.789062 MB of memory in use. ENERGY: 306800 646.3100 1890.2150 1941.8071 127.4603 2.0206 -1093.4575 0.0000 0.0000 2646.9328 6161.2884 292.3611 3514.3556 6192.9307 300.0288 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: 1240.15, 0.00392208/step Wall: 1240.15, 0.00392208/step, 2.3892 hours remaining, 110.789062 MB of memory in use. ENERGY: 307000 692.6385 1813.4407 1922.7788 103.4810 1.3699 -1068.9431 0.0000 0.0000 2672.7683 6137.5342 295.2147 3464.7658 6172.5849 298.2326 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: 1240.93, 0.00391828/step Wall: 1240.93, 0.00391828/step, 2.38667 hours remaining, 110.789062 MB of memory in use. ENERGY: 307200 642.5580 1766.5592 1981.4765 97.8668 1.5976 -1074.0711 0.0000 0.0000 2684.4694 6100.4564 296.5071 3415.9870 6135.7181 296.5191 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: 1241.72, 0.00392349/step Wall: 1241.72, 0.00392349/step, 2.38963 hours remaining, 110.789062 MB of memory in use. ENERGY: 307400 676.7831 1872.0831 1979.1821 105.7154 1.9993 -1144.3854 0.0000 0.0000 2668.3971 6159.7747 294.7319 3491.3776 6193.1902 297.3594 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: 1242.5, 0.00392339/step Wall: 1242.5, 0.00392339/step, 2.38935 hours remaining, 110.789062 MB of memory in use. ENERGY: 307600 645.9530 1850.8528 1935.3120 105.5360 2.2643 -1067.2928 0.0000 0.0000 2672.4127 6145.0381 295.1754 3472.6253 6175.1568 298.1828 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: 1243.29, 0.00392339/step Wall: 1243.29, 0.00392339/step, 2.38913 hours remaining, 110.789062 MB of memory in use. ENERGY: 307800 679.8903 1863.7610 1940.1753 114.7107 1.9383 -1097.0571 0.0000 0.0000 2653.6970 6157.1155 293.1082 3503.4184 6188.0545 297.7846 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: 1244.07, 0.00391631/step Wall: 1244.07, 0.00391631/step, 2.3846 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 308000 677.3368 1827.9884 1940.2160 97.3854 2.0643 -1114.6225 0.0000 0.0000 2730.2783 6160.6467 301.5668 3430.3684 6194.4469 297.3214 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: 1244.86, 0.00392413/step Wall: 1244.86, 0.00392413/step, 2.38914 hours remaining, 110.789062 MB of memory in use. ENERGY: 308200 619.1203 1847.0166 1970.8264 106.9585 1.6395 -1093.7182 0.0000 0.0000 2729.4491 6181.2922 301.4753 3451.8431 6217.6732 299.1171 LDB: ============= START OF LOAD BALANCING ============== 1247.56 LDB: ============== END OF LOAD BALANCING =============== 1247.56 LDB: =============== DONE WITH MIGRATION ================ 1247.56 LDB: ============= START OF LOAD BALANCING ============== 1247.95 LDB: ============== END OF LOAD BALANCING =============== 1247.95 LDB: =============== DONE WITH MIGRATION ================ 1247.95 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: 1245.64, 0.00392882/step Wall: 1245.64, 0.00392882/step, 2.39178 hours remaining, 110.789062 MB of memory in use. ENERGY: 308400 626.4016 1854.4804 1971.1120 106.0169 2.9006 -1074.1421 0.0000 0.0000 2676.8723 6163.6416 295.6680 3486.7693 6196.3258 297.6620 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: 1246.43, 0.00392496/step Wall: 1246.43, 0.00392496/step, 2.38921 hours remaining, 110.789062 MB of memory in use. ENERGY: 308600 663.1810 1822.5877 1963.5824 101.9946 3.2362 -1090.5232 0.0000 0.0000 2667.3031 6131.3619 294.6111 3464.0588 6163.8038 297.0925 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: 1247.21, 0.00392335/step Wall: 1247.21, 0.00392335/step, 2.38801 hours remaining, 110.789062 MB of memory in use. ENERGY: 308800 623.8130 1806.6163 1981.2490 119.4195 3.2446 -1069.1994 0.0000 0.0000 2692.0541 6157.1972 297.3449 3465.1431 6187.8247 295.2960 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: 1248, 0.00391778/step Wall: 1248, 0.00391778/step, 2.38441 hours remaining, 110.789062 MB of memory in use. ENERGY: 309000 602.0281 1876.4865 1965.8933 118.6103 2.8055 -1090.8274 0.0000 0.0000 2704.7776 6179.7739 298.7502 3474.9963 6211.2198 298.4994 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: 1248.78, 0.00392477/step Wall: 1248.78, 0.00392477/step, 2.38844 hours remaining, 110.789062 MB of memory in use. ENERGY: 309200 645.8636 1831.0060 1959.6370 112.8297 1.4045 -1095.0120 0.0000 0.0000 2727.5511 6183.2799 301.2656 3455.7288 6217.0579 298.0192 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: 1249.57, 0.00392478/step Wall: 1249.57, 0.00392478/step, 2.38823 hours remaining, 110.789062 MB of memory in use. ENERGY: 309400 660.2344 1855.1874 1952.6696 108.8121 2.2110 -1082.5301 0.0000 0.0000 2696.8137 6193.3981 297.8706 3496.5845 6227.6060 298.4069 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: 1250.35, 0.00392452/step Wall: 1250.35, 0.00392452/step, 2.38786 hours remaining, 110.789062 MB of memory in use. ENERGY: 309600 688.3360 1950.5256 1934.2182 106.7176 2.2128 -1105.2876 0.0000 0.0000 2693.4058 6270.1284 297.4942 3576.7225 6302.3029 300.2680 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: 1251.13, 0.0039171/step Wall: 1251.13, 0.0039171/step, 2.38312 hours remaining, 110.789062 MB of memory in use. ENERGY: 309800 701.8226 1902.4093 1954.5359 99.2891 3.5890 -1102.5840 0.0000 0.0000 2730.5842 6289.6460 301.6006 3559.0618 6321.9054 303.3356 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: 1251.92, 0.00392568/step Wall: 1251.92, 0.00392567/step, 2.38812 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 310000 645.3030 1901.7149 1957.3273 114.3226 3.5429 -1111.0616 0.0000 0.0000 2779.5763 6290.7254 307.0119 3511.1491 6324.7924 304.8799 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 310000 WRITING COORDINATES TO DCD FILE MD.1.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: 1252.75, 0.00416282/step Wall: 1252.75, 0.00416283/step, 2.53215 hours remaining, 110.789062 MB of memory in use. ENERGY: 310200 627.1988 1857.1865 1955.7847 116.4393 2.4118 -1087.6044 0.0000 0.0000 2752.6472 6224.0639 304.0376 3471.4167 6256.9382 303.1040 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: 1253.54, 0.00392469/step Wall: 1253.54, 0.00392469/step, 2.38708 hours remaining, 110.789062 MB of memory in use. ENERGY: 310400 667.6519 1863.5838 1960.7078 102.1178 3.6458 -1087.3709 0.0000 0.0000 2648.7860 6159.1222 292.5658 3510.3362 6193.1963 298.1807 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: 1254.32, 0.00392402/step Wall: 1254.32, 0.00392402/step, 2.38646 hours remaining, 110.789062 MB of memory in use. ENERGY: 310600 648.8166 1824.0877 1941.1024 107.2105 2.4657 -1090.3136 0.0000 0.0000 2714.8516 6148.2209 299.8629 3433.3693 6180.3790 295.7719 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: 1255.1, 0.00391734/step Wall: 1255.1, 0.00391735/step, 2.38218 hours remaining, 110.789062 MB of memory in use. ENERGY: 310800 653.5150 1855.0355 1950.5414 116.9623 2.4075 -1120.5149 0.0000 0.0000 2707.0885 6165.0354 299.0055 3457.9469 6198.0725 296.6667 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: 1255.89, 0.00392431/step Wall: 1255.89, 0.00392431/step, 2.3862 hours remaining, 110.789062 MB of memory in use. ENERGY: 311000 630.4128 1879.3966 1949.8901 106.0202 1.5997 -1078.8793 0.0000 0.0000 2665.6188 6154.0589 294.4250 3488.4401 6183.1872 298.2843 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: 1256.67, 0.00392392/step Wall: 1256.67, 0.00392392/step, 2.38574 hours remaining, 110.789062 MB of memory in use. ENERGY: 311200 637.2864 1872.3211 1925.3150 98.8872 2.5842 -1091.7507 0.0000 0.0000 2687.2641 6131.9074 296.8158 3444.6432 6165.1347 295.3404 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: 1257.46, 0.00392267/step Wall: 1257.46, 0.00392267/step, 2.38476 hours remaining, 110.789062 MB of memory in use. ENERGY: 311400 670.7456 1853.1348 1968.5449 88.7104 1.2877 -1076.1993 0.0000 0.0000 2637.0113 6143.2353 291.2652 3506.2240 6174.8470 295.6241 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: 1258.24, 0.00392265/step Wall: 1258.24, 0.00392265/step, 2.38454 hours remaining, 110.789062 MB of memory in use. ENERGY: 311600 653.2392 1807.4754 1984.4760 109.7974 3.6282 -1093.2770 0.0000 0.0000 2714.7006 6180.0400 299.8462 3465.3394 6212.0255 297.4449 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: 1259.03, 0.00391701/step Wall: 1259.03, 0.00391701/step, 2.38089 hours remaining, 110.789062 MB of memory in use. ENERGY: 311800 646.6033 1810.1672 1960.5280 105.2054 2.8783 -1065.7384 0.0000 0.0000 2691.4210 6151.0648 297.2749 3459.6438 6180.7547 297.0433 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: 1259.81, 0.00392342/step Wall: 1259.81, 0.00392342/step, 2.38457 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 312000 654.2987 1814.2556 1939.4555 109.1725 2.6209 -1100.5323 0.0000 0.0000 2748.4196 6167.6905 303.5706 3419.2709 6199.5801 297.4265 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: 1260.6, 0.00392398/step Wall: 1260.6, 0.00392398/step, 2.38469 hours remaining, 110.789062 MB of memory in use. ENERGY: 312200 650.1349 1885.5998 1963.0042 110.3820 2.4596 -1096.3477 0.0000 0.0000 2672.0951 6187.3279 295.1403 3515.2328 6220.5588 299.0649 LDB: ============= START OF LOAD BALANCING ============== 1263.3 LDB: ============== END OF LOAD BALANCING =============== 1263.3 LDB: =============== DONE WITH MIGRATION ================ 1263.3 LDB: ============= START OF LOAD BALANCING ============== 1263.69 LDB: ============== END OF LOAD BALANCING =============== 1263.69 LDB: =============== DONE WITH MIGRATION ================ 1263.69 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: 1261.38, 0.00392855/step Wall: 1261.38, 0.00392855/step, 2.38725 hours remaining, 110.789062 MB of memory in use. ENERGY: 312400 622.8652 1861.2789 1964.7824 111.0082 2.8028 -1075.5738 0.0000 0.0000 2700.2813 6187.4450 298.2536 3487.1637 6217.5130 298.7499 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: 1262.17, 0.0039174/step Wall: 1262.17, 0.0039174/step, 2.38026 hours remaining, 110.789062 MB of memory in use. ENERGY: 312600 628.4203 1803.7925 1955.5893 105.9193 2.7643 -1045.6327 0.0000 0.0000 2751.9199 6202.7729 303.9572 3450.8530 6235.0039 299.2864 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: 1262.95, 0.0039242/step Wall: 1262.95, 0.0039242/step, 2.38417 hours remaining, 110.789062 MB of memory in use. ENERGY: 312800 646.2715 1908.9166 1944.7163 107.0362 1.8134 -1084.1370 0.0000 0.0000 2729.0576 6253.6746 301.4320 3524.6170 6284.2893 300.8136 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: 1263.74, 0.00392415/step Wall: 1263.74, 0.00392415/step, 2.38392 hours remaining, 110.789062 MB of memory in use. ENERGY: 313000 643.0974 1887.7643 1939.8574 106.1157 3.1541 -1070.8579 0.0000 0.0000 2702.9906 6212.1216 298.5528 3509.1310 6243.7819 300.8258 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: 1264.52, 0.00392432/step Wall: 1264.52, 0.00392432/step, 2.38381 hours remaining, 110.789062 MB of memory in use. ENERGY: 313200 683.5182 1863.8081 1981.1226 112.3850 2.5291 -1084.4845 0.0000 0.0000 2676.2999 6235.1783 295.6048 3558.8785 6266.9970 298.5922 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: 1265.31, 0.00394351/step Wall: 1265.31, 0.00394351/step, 2.39525 hours remaining, 110.789062 MB of memory in use. ENERGY: 313400 661.1547 1862.5166 1941.6131 116.7291 2.5848 -1083.3752 0.0000 0.0000 2702.8333 6204.0564 298.5355 3501.2231 6236.6357 299.5879 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: 1266.09, 0.00392224/step Wall: 1266.09, 0.00392224/step, 2.38211 hours remaining, 110.789062 MB of memory in use. ENERGY: 313600 621.5456 1867.0936 1952.7748 91.4868 2.6260 -1066.7141 0.0000 0.0000 2723.5872 6192.3998 300.8278 3468.8127 6226.3236 298.0442 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: 1266.88, 0.00392576/step Wall: 1266.88, 0.00392576/step, 2.38402 hours remaining, 110.789062 MB of memory in use. ENERGY: 313800 644.4473 1848.1334 1947.4416 113.6912 2.5233 -1067.5711 0.0000 0.0000 2683.9151 6172.5809 296.4459 3488.6658 6205.9925 300.0610 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: 1267.66, 0.00392174/step Wall: 1267.66, 0.00392174/step, 2.38136 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 314000 650.8454 1837.6963 1951.8861 121.0881 1.1885 -1051.4856 0.0000 0.0000 2722.5661 6233.7850 300.7150 3511.2189 6268.3702 298.9655 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: 1268.45, 0.00392362/step Wall: 1268.45, 0.00392362/step, 2.38229 hours remaining, 110.789062 MB of memory in use. ENERGY: 314200 630.0418 1858.1660 1971.5444 111.2768 3.6458 -1089.5267 0.0000 0.0000 2739.6725 6224.8207 302.6045 3485.1482 6258.2418 300.1942 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: 1269.23, 0.00392139/step Wall: 1269.23, 0.00392139/step, 2.38072 hours remaining, 110.789062 MB of memory in use. ENERGY: 314400 644.1784 1901.3667 1968.2341 111.5950 2.0247 -1112.8695 0.0000 0.0000 2695.4283 6209.9576 297.7176 3514.5294 6239.0590 300.8166 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: 1270.01, 0.00391589/step Wall: 1270.01, 0.00391589/step, 2.37716 hours remaining, 110.789062 MB of memory in use. ENERGY: 314600 645.7425 1873.3218 1924.5463 104.4496 4.2035 -1102.7504 0.0000 0.0000 2738.0533 6187.5666 302.4256 3449.5133 6220.4770 298.4507 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: 1270.8, 0.00392459/step Wall: 1270.8, 0.00392459/step, 2.38223 hours remaining, 110.789062 MB of memory in use. ENERGY: 314800 652.9374 1900.9458 1932.8024 104.9735 2.9678 -1057.8858 0.0000 0.0000 2704.6142 6241.3553 298.7322 3536.7411 6271.8960 300.5340 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: 1271.58, 0.00392339/step Wall: 1271.58, 0.00392339/step, 2.38128 hours remaining, 110.789062 MB of memory in use. ENERGY: 315000 661.6105 1837.0005 1957.0667 113.5896 2.2130 -1097.2199 0.0000 0.0000 2752.3253 6226.5857 304.0020 3474.2604 6260.6099 302.2888 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: 1272.37, 0.00392323/step Wall: 1272.37, 0.00392323/step, 2.38096 hours remaining, 110.789062 MB of memory in use. ENERGY: 315200 624.9453 1846.5161 1958.0864 104.0185 3.1268 -1097.2557 0.0000 0.0000 2777.2957 6216.7330 306.7600 3439.4373 6250.7354 299.0484 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: 1273.15, 0.00391733/step Wall: 1273.15, 0.00391733/step, 2.37716 hours remaining, 110.789062 MB of memory in use. ENERGY: 315400 684.6179 1854.7830 1941.3608 114.7700 4.0764 -1076.8822 0.0000 0.0000 2721.5410 6244.2667 300.6018 3522.7258 6275.2758 301.8806 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: 1273.94, 0.00392439/step Wall: 1273.94, 0.00392439/step, 2.38123 hours remaining, 110.789062 MB of memory in use. ENERGY: 315600 642.2777 1843.0210 1951.7539 117.7577 2.5291 -1030.6158 0.0000 0.0000 2722.1071 6248.8306 300.6643 3526.7236 6281.7058 301.0488 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: 1274.72, 0.00392341/step Wall: 1274.72, 0.00392341/step, 2.38042 hours remaining, 110.789062 MB of memory in use. ENERGY: 315800 654.7869 1855.3165 1945.3967 96.0604 1.6431 -1064.9628 0.0000 0.0000 2746.4636 6234.7046 303.3546 3488.2410 6266.9851 301.6562 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: 1275.51, 0.00392357/step Wall: 1275.51, 0.00392357/step, 2.3803 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 316000 597.0529 1868.4313 1969.7150 126.3993 3.9092 -1067.9532 0.0000 0.0000 2719.7281 6217.2827 300.4015 3497.5545 6250.6016 299.4698 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: 1276.29, 0.00393573/step Wall: 1276.29, 0.00393573/step, 2.38745 hours remaining, 110.789062 MB of memory in use. ENERGY: 316200 627.5130 1850.6836 1940.6787 113.9220 4.0253 -1042.5374 0.0000 0.0000 2711.6209 6205.9060 299.5061 3494.2851 6237.6502 299.9255 LDB: ============= START OF LOAD BALANCING ============== 1278.99 LDB: ============== END OF LOAD BALANCING =============== 1278.99 LDB: =============== DONE WITH MIGRATION ================ 1278.99 LDB: ============= START OF LOAD BALANCING ============== 1279.39 LDB: ============== END OF LOAD BALANCING =============== 1279.39 LDB: =============== DONE WITH MIGRATION ================ 1279.39 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: 1277.08, 0.00392022/step Wall: 1277.08, 0.00392022/step, 2.37783 hours remaining, 110.789062 MB of memory in use. ENERGY: 316400 641.2177 1837.1961 1979.6331 115.0348 2.9767 -1083.3988 0.0000 0.0000 2719.2631 6211.9227 300.3502 3492.6596 6244.1287 300.2811 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: 1277.86, 0.00392531/step Wall: 1277.86, 0.00392531/step, 2.3807 hours remaining, 110.789062 MB of memory in use. ENERGY: 316600 717.7735 1867.3777 1936.1798 114.6414 3.2169 -1106.4281 0.0000 0.0000 2647.1085 6179.8696 292.3805 3532.7611 6208.3528 299.6467 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: 1278.65, 0.00392485/step Wall: 1278.65, 0.00392485/step, 2.3802 hours remaining, 110.789062 MB of memory in use. ENERGY: 316800 651.5767 1842.3949 1966.7242 114.3337 3.5282 -1101.9377 0.0000 0.0000 2710.2312 6186.8511 299.3526 3476.6200 6220.0680 298.6542 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: 1279.43, 0.00392427/step Wall: 1279.43, 0.00392427/step, 2.37963 hours remaining, 110.789062 MB of memory in use. ENERGY: 317000 640.4489 1871.5842 1976.4491 113.1707 4.2326 -1101.2370 0.0000 0.0000 2697.8991 6202.5475 297.9905 3504.6484 6235.4516 297.0076 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: 1280.22, 0.00392015/step Wall: 1280.22, 0.00392015/step, 2.37692 hours remaining, 110.789062 MB of memory in use. ENERGY: 317200 661.1744 1884.0224 1925.9840 98.2246 3.6383 -1053.2818 0.0000 0.0000 2699.7927 6219.5546 298.1996 3519.7619 6252.8096 299.1964 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: 1281, 0.00392042/step Wall: 1281, 0.00392042/step, 2.37686 hours remaining, 110.789062 MB of memory in use. ENERGY: 317400 652.0996 1917.1289 1943.4866 104.8371 2.6637 -1087.4519 0.0000 0.0000 2729.7919 6262.5558 301.5131 3532.7640 6299.3845 301.1520 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: 1281.79, 0.00392316/step Wall: 1281.79, 0.00392316/step, 2.3783 hours remaining, 110.789062 MB of memory in use. ENERGY: 317600 660.2014 1874.7056 1967.3385 112.6036 2.0005 -1098.1756 0.0000 0.0000 2668.6989 6187.3728 294.7652 3518.6739 6219.5879 300.5965 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: 1282.57, 0.00392432/step Wall: 1282.57, 0.00392432/step, 2.37879 hours remaining, 110.789062 MB of memory in use. ENERGY: 317800 666.5673 1830.1561 1967.7796 102.1258 0.9645 -1067.1191 0.0000 0.0000 2715.7993 6216.2735 299.9676 3500.4742 6250.4944 299.1765 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: 1283.36, 0.00392456/step Wall: 1283.36, 0.00392456/step, 2.37872 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 318000 676.4250 1825.6376 1954.9636 109.1402 3.1577 -1078.2264 0.0000 0.0000 2751.1682 6242.2658 303.8742 3491.0976 6276.3136 298.8184 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: 1284.14, 0.00391685/step Wall: 1284.14, 0.00391685/step, 2.37383 hours remaining, 110.789062 MB of memory in use. ENERGY: 318200 642.0105 1840.4262 1975.9346 105.0119 1.9101 -1047.0860 0.0000 0.0000 2756.8084 6275.0155 304.4972 3518.2071 6307.1913 301.3110 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: 1284.92, 0.00392472/step Wall: 1284.92, 0.00392472/step, 2.37838 hours remaining, 110.789062 MB of memory in use. ENERGY: 318400 633.9700 1867.9629 1956.2908 113.0926 3.0889 -1059.0498 0.0000 0.0000 2705.0643 6220.4196 298.7819 3515.3554 6254.8664 301.4312 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: 1285.71, 0.00392432/step Wall: 1285.71, 0.00392432/step, 2.37792 hours remaining, 110.789062 MB of memory in use. ENERGY: 318600 682.5087 1769.5621 1943.9528 110.4604 2.7286 -1095.2717 0.0000 0.0000 2813.2989 6227.2398 310.7367 3413.9409 6263.2723 300.0931 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: 1286.49, 0.00392408/step Wall: 1286.49, 0.00392408/step, 2.37756 hours remaining, 110.789062 MB of memory in use. ENERGY: 318800 693.1280 1796.5980 1944.2637 107.4836 3.1911 -1060.5576 0.0000 0.0000 2735.2273 6219.3343 302.1135 3484.1070 6253.2487 299.4683 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: 1287.28, 0.00392312/step Wall: 1287.28, 0.00392312/step, 2.37676 hours remaining, 110.789062 MB of memory in use. ENERGY: 319000 637.5524 1811.7440 1950.4305 102.4182 2.4344 -1050.7603 0.0000 0.0000 2713.1186 6166.9378 299.6715 3453.8192 6200.6694 298.6837 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: 1288.06, 0.00391659/step Wall: 1288.06, 0.00391659/step, 2.37259 hours remaining, 110.789062 MB of memory in use. ENERGY: 319200 677.1975 1861.8057 1933.9720 101.6252 2.4565 -1056.2162 0.0000 0.0000 2672.6016 6193.4423 295.1963 3520.8407 6226.6843 297.1102 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: 1288.85, 0.00392516/step Wall: 1288.85, 0.00392516/step, 2.37755 hours remaining, 110.789062 MB of memory in use. ENERGY: 319400 671.4577 1820.7794 1940.3679 112.7882 2.2393 -1045.8618 0.0000 0.0000 2688.6217 6190.3923 296.9658 3501.7706 6222.6026 296.4282 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: 1289.63, 0.00392462/step Wall: 1289.63, 0.00392462/step, 2.37701 hours remaining, 110.789062 MB of memory in use. ENERGY: 319600 671.1267 1887.4298 1933.7137 95.8129 3.0900 -1071.2377 0.0000 0.0000 2681.3986 6201.3341 296.1679 3519.9355 6231.0806 298.8176 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: 1290.42, 0.0039258/step Wall: 1290.42, 0.0039258/step, 2.37751 hours remaining, 110.789062 MB of memory in use. ENERGY: 319800 652.7538 1838.4407 1943.3561 99.9409 2.9422 -1079.0611 0.0000 0.0000 2741.7549 6200.1274 302.8345 3458.3725 6232.1027 300.4993 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: 1291.2, 0.0039173/step Wall: 1291.2, 0.0039173/step, 2.37214 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 320000 663.4842 1821.2378 1959.3830 110.1927 1.7748 -1032.3365 0.0000 0.0000 2739.7701 6263.5061 302.6152 3523.7360 6293.8201 300.1583 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 320000 WRITING COORDINATES TO DCD FILE MD.1.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: 1294.15, 0.0147391/step Wall: 1294.15, 0.0147391/step, 8.92451 hours remaining, 110.789062 MB of memory in use. ENERGY: 320200 660.8375 1860.8846 1969.8262 115.5872 3.1566 -1066.6673 0.0000 0.0000 2716.5662 6260.1909 300.0523 3543.6247 6293.2713 300.9598 LDB: ============= START OF LOAD BALANCING ============== 1296.85 LDB: ============== END OF LOAD BALANCING =============== 1296.85 LDB: =============== DONE WITH MIGRATION ================ 1296.85 LDB: ============= START OF LOAD BALANCING ============== 1297.24 LDB: ============== END OF LOAD BALANCING =============== 1297.24 LDB: =============== DONE WITH MIGRATION ================ 1297.24 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: 1294.93, 0.00392937/step Wall: 1294.93, 0.00392937/step, 2.37901 hours remaining, 110.789062 MB of memory in use. ENERGY: 320400 675.2158 1868.0017 1966.5464 106.1684 2.9807 -1065.5995 0.0000 0.0000 2735.6480 6288.9616 302.1599 3553.3136 6322.8206 302.5259 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: 1295.72, 0.00392313/step Wall: 1295.72, 0.00392313/step, 2.37502 hours remaining, 110.789062 MB of memory in use. ENERGY: 320600 666.5572 1823.9848 1971.7669 117.4552 1.3167 -1048.1127 0.0000 0.0000 2695.2339 6228.2020 297.6961 3532.9681 6258.9709 301.1849 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: 1296.5, 0.00392354/step Wall: 1296.5, 0.00392354/step, 2.37505 hours remaining, 110.789062 MB of memory in use. ENERGY: 320800 647.2103 1797.1215 1986.8226 113.0186 4.4981 -1101.7207 0.0000 0.0000 2743.2841 6190.2345 303.0034 3446.9504 6222.6917 298.5795 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: 1297.29, 0.00392422/step Wall: 1297.29, 0.00392422/step, 2.37524 hours remaining, 110.789062 MB of memory in use. ENERGY: 321000 612.8969 1796.4117 1979.0414 102.7507 3.1740 -1045.6725 0.0000 0.0000 2735.8694 6184.4715 302.1844 3448.6021 6216.6553 298.6219 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: 1298.13, 0.0042184/step Wall: 1298.13, 0.00421839/step, 2.55307 hours remaining, 110.789062 MB of memory in use. ENERGY: 321200 636.7588 1848.6223 1970.4791 110.6150 3.8192 -1081.4207 0.0000 0.0000 2724.0237 6212.8973 300.8760 3488.8737 6248.8336 298.8019 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: 1298.92, 0.00392963/step Wall: 1298.92, 0.00392964/step, 2.37809 hours remaining, 110.789062 MB of memory in use. ENERGY: 321400 657.8922 1798.0909 1952.0333 100.1607 3.6084 -1002.2658 0.0000 0.0000 2695.2185 6204.7382 297.6944 3509.5198 6237.7470 299.5208 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: 1299.7, 0.00392457/step Wall: 1299.7, 0.00392457/step, 2.3748 hours remaining, 110.789062 MB of memory in use. ENERGY: 321600 620.9787 1848.6427 1929.4803 109.8090 2.6697 -1051.4517 0.0000 0.0000 2730.4672 6190.5959 301.5877 3460.1287 6226.5739 299.1443 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: 1300.49, 0.00392541/step Wall: 1300.49, 0.00392541/step, 2.37509 hours remaining, 110.789062 MB of memory in use. ENERGY: 321800 617.9385 1896.4762 1927.4261 109.3307 3.0042 -1067.1494 0.0000 0.0000 2717.2043 6204.2306 300.1228 3487.0263 6237.9099 297.7738 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: 1301.27, 0.0039226/step Wall: 1301.27, 0.0039226/step, 2.37318 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 322000 630.6912 1834.2961 1923.1590 109.0558 5.2117 -1063.0514 0.0000 0.0000 2678.6867 6118.0491 295.8684 3439.3623 6150.7047 296.5830 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: 1302.06, 0.00391631/step Wall: 1302.06, 0.00391631/step, 2.36915 hours remaining, 110.789062 MB of memory in use. ENERGY: 322200 631.3352 1840.1822 1967.1032 104.9857 3.1717 -1082.0877 0.0000 0.0000 2707.4151 6172.1054 299.0415 3464.6903 6208.6873 297.3047 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: 1302.84, 0.00392307/step Wall: 1302.84, 0.00392307/step, 2.37302 hours remaining, 110.789062 MB of memory in use. ENERGY: 322400 637.3306 1892.1153 1946.5688 101.2458 2.9277 -1110.2602 0.0000 0.0000 2753.0905 6223.0187 304.0865 3469.9281 6257.7548 298.1760 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: 1303.62, 0.00392294/step Wall: 1303.62, 0.00392294/step, 2.37272 hours remaining, 110.789062 MB of memory in use. ENERGY: 322600 644.9836 1952.8897 1971.1267 112.0466 3.5772 -1076.7589 0.0000 0.0000 2700.2366 6308.1015 298.2487 3607.8649 6340.1103 302.6601 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: 1304.41, 0.00392244/step Wall: 1304.41, 0.00392244/step, 2.3722 hours remaining, 110.789062 MB of memory in use. ENERGY: 322800 670.7500 1894.0369 1960.0128 114.6478 2.7356 -1093.9983 0.0000 0.0000 2721.4595 6269.6443 300.5928 3548.1849 6302.0934 303.2683 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: 1305.19, 0.00391567/step Wall: 1305.19, 0.00391567/step, 2.3679 hours remaining, 110.789062 MB of memory in use. ENERGY: 323000 656.2265 1911.5012 1972.6864 107.4167 3.9568 -1065.1940 0.0000 0.0000 2720.0056 6306.5993 300.4322 3586.5937 6337.7454 304.5660 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: 1305.98, 0.00392121/step Wall: 1305.98, 0.0039212/step, 2.37102 hours remaining, 110.789062 MB of memory in use. ENERGY: 323200 667.4820 1840.5324 1972.8128 105.8985 3.9062 -1089.2744 0.0000 0.0000 2775.9610 6277.3184 306.6126 3501.3574 6310.5398 303.1936 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: 1306.76, 0.0039226/step Wall: 1306.76, 0.00392261/step, 2.37165 hours remaining, 110.789062 MB of memory in use. ENERGY: 323400 639.9994 1922.5278 1951.0374 112.8039 3.2836 -1059.4514 0.0000 0.0000 2734.3055 6304.5063 302.0117 3570.2007 6336.1282 302.7050 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: 1307.54, 0.00392107/step Wall: 1307.54, 0.00392107/step, 2.37051 hours remaining, 110.789062 MB of memory in use. ENERGY: 323600 637.4203 1868.8216 1976.4681 99.8610 3.3418 -1056.2546 0.0000 0.0000 2710.8133 6240.4716 299.4169 3529.6583 6273.4665 304.5886 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: 1308.33, 0.00392072/step Wall: 1308.33, 0.00392072/step, 2.37008 hours remaining, 110.789062 MB of memory in use. ENERGY: 323800 637.5400 1870.4801 1953.0922 101.2675 3.9377 -1048.4184 0.0000 0.0000 2752.7114 6270.6104 304.0446 3517.8990 6304.9567 301.8564 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: 1309.11, 0.00391656/step Wall: 1309.11, 0.00391656/step, 2.36734 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 324000 691.9078 1874.4912 1930.4008 112.7293 2.4490 -1084.7275 0.0000 0.0000 2678.1004 6205.3509 295.8036 3527.2505 6237.1928 299.5706 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: 1309.9, 0.00392064/step Wall: 1309.9, 0.00392064/step, 2.36959 hours remaining, 110.789062 MB of memory in use. ENERGY: 324200 674.0185 1830.5609 1943.2684 97.5240 2.1913 -1083.7242 0.0000 0.0000 2727.8544 6191.6932 301.2991 3463.8388 6224.1233 297.9665 LDB: ============= START OF LOAD BALANCING ============== 1312.6 LDB: ============== END OF LOAD BALANCING =============== 1312.6 LDB: =============== DONE WITH MIGRATION ================ 1312.6 LDB: ============= START OF LOAD BALANCING ============== 1312.99 LDB: ============== END OF LOAD BALANCING =============== 1312.99 LDB: =============== DONE WITH MIGRATION ================ 1312.99 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: 1310.68, 0.00392709/step Wall: 1310.68, 0.00392709/step, 2.37327 hours remaining, 110.789062 MB of memory in use. ENERGY: 324400 670.1461 1865.0514 1952.8637 126.5339 3.3684 -1084.5551 0.0000 0.0000 2673.9014 6207.3099 295.3399 3533.4085 6237.5949 298.8664 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: 1311.47, 0.00392132/step Wall: 1311.47, 0.00392132/step, 2.36957 hours remaining, 110.789062 MB of memory in use. ENERGY: 324600 647.1350 1850.4825 1981.5703 109.0271 1.7196 -1095.4165 0.0000 0.0000 2680.6966 6175.2145 296.0904 3494.5179 6207.8849 299.6509 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: 1312.25, 0.00391649/step Wall: 1312.25, 0.00391649/step, 2.36643 hours remaining, 110.789062 MB of memory in use. ENERGY: 324800 647.0545 1872.4380 1967.7827 99.8166 2.2826 -1092.1776 0.0000 0.0000 2685.1390 6182.3358 296.5811 3497.1968 6214.3364 296.6429 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: 1313.03, 0.00392345/step Wall: 1313.03, 0.00392345/step, 2.37042 hours remaining, 110.789062 MB of memory in use. ENERGY: 325000 642.6081 1878.2746 1909.1686 109.7041 2.6100 -1058.5985 0.0000 0.0000 2698.4678 6182.2347 298.0533 3483.7670 6213.4312 298.3888 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: 1313.82, 0.00392233/step Wall: 1313.82, 0.00392233/step, 2.36953 hours remaining, 110.789062 MB of memory in use. ENERGY: 325200 660.4196 1860.4067 1963.0230 99.9680 3.7045 -1080.9900 0.0000 0.0000 2716.3212 6222.8531 300.0252 3506.5319 6257.5293 299.3815 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: 1314.6, 0.00392122/step Wall: 1314.6, 0.00392122/step, 2.36863 hours remaining, 110.789062 MB of memory in use. ENERGY: 325400 642.1069 1814.6899 1951.3781 96.1968 2.3034 -1065.0119 0.0000 0.0000 2776.6397 6218.3029 306.6876 3441.6632 6252.3386 300.0355 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: 1315.39, 0.00392203/step Wall: 1315.39, 0.00392203/step, 2.36891 hours remaining, 110.789062 MB of memory in use. ENERGY: 325600 649.4326 1885.4350 1931.0405 90.6219 2.3031 -1057.1273 0.0000 0.0000 2753.5377 6255.2435 304.1359 3501.7058 6289.8859 300.2634 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: 1316.17, 0.00391676/step Wall: 1316.17, 0.00391676/step, 2.36551 hours remaining, 110.789062 MB of memory in use. ENERGY: 325800 636.3874 1859.8401 1939.2171 109.4774 2.5869 -1023.2739 0.0000 0.0000 2764.5383 6288.7733 305.3510 3524.2350 6323.3925 302.0421 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: 1316.96, 0.00393171/step Wall: 1316.96, 0.00393171/step, 2.37432 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 326000 676.1901 1859.0702 1939.8008 110.4921 2.6475 -1067.5605 0.0000 0.0000 2795.7968 6316.4371 308.8035 3520.6402 6351.3017 304.9622 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: 1317.74, 0.00392206/step Wall: 1317.74, 0.00392206/step, 2.36827 hours remaining, 110.789062 MB of memory in use. ENERGY: 326200 649.1815 1880.7639 1984.6189 111.8295 2.2913 -1097.6780 0.0000 0.0000 2757.0452 6288.0524 304.5233 3531.0072 6320.7428 303.1377 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: 1318.53, 0.00392698/step Wall: 1318.53, 0.00392698/step, 2.37102 hours remaining, 110.789062 MB of memory in use. ENERGY: 326400 655.0954 1857.2993 1960.7417 102.7889 2.8007 -1038.1425 0.0000 0.0000 2753.5138 6294.0974 304.1333 3540.5836 6324.2495 303.0943 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: 1319.31, 0.00391584/step Wall: 1319.31, 0.00391584/step, 2.36408 hours remaining, 110.789062 MB of memory in use. ENERGY: 326600 669.5158 1849.9585 1962.2517 109.9201 1.7251 -1073.2461 0.0000 0.0000 2729.1788 6249.3039 301.4454 3520.1251 6282.0979 301.2540 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: 1320.09, 0.00392283/step Wall: 1320.09, 0.00392283/step, 2.36808 hours remaining, 110.789062 MB of memory in use. ENERGY: 326800 644.4504 1913.4568 1955.7552 110.7635 2.7608 -1088.6414 0.0000 0.0000 2739.7383 6278.2837 302.6117 3538.5454 6311.0644 302.3399 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: 1320.88, 0.00392399/step Wall: 1320.88, 0.00392399/step, 2.36856 hours remaining, 110.789062 MB of memory in use. ENERGY: 327000 630.8054 1871.5002 1963.4751 118.1232 4.0261 -1088.0156 0.0000 0.0000 2750.1979 6250.1123 303.7670 3499.9144 6285.2511 302.0881 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: 1321.66, 0.00392284/step Wall: 1321.66, 0.00392284/step, 2.36765 hours remaining, 110.789062 MB of memory in use. ENERGY: 327200 655.6537 1841.2164 1969.5257 109.7688 4.1202 -1084.2701 0.0000 0.0000 2688.2172 6184.2318 296.9211 3496.0146 6218.3544 300.0335 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: 1322.45, 0.00392268/step Wall: 1322.45, 0.00392268/step, 2.36733 hours remaining, 110.789062 MB of memory in use. ENERGY: 327400 677.6425 1869.1126 1967.9691 108.4650 4.8197 -1115.1153 0.0000 0.0000 2721.7947 6234.6884 300.6298 3512.8937 6264.7039 298.3025 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: 1323.23, 0.00391624/step Wall: 1323.23, 0.00391625/step, 2.36324 hours remaining, 110.789062 MB of memory in use. ENERGY: 327600 623.6176 1883.9565 1933.9389 111.0601 4.3178 -1092.2668 0.0000 0.0000 2726.6343 6191.2583 301.1644 3464.6240 6225.0974 300.3328 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: 1324.02, 0.0039239/step Wall: 1324.02, 0.0039239/step, 2.36763 hours remaining, 110.789062 MB of memory in use. ENERGY: 327800 640.4383 1884.2281 1956.1401 113.7331 3.0275 -1083.3545 0.0000 0.0000 2689.6087 6203.8213 297.0748 3514.2126 6238.3401 299.6160 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: 1324.8, 0.00393522/step Wall: 1324.8, 0.00393522/step, 2.37425 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 328000 620.6852 1886.2884 1968.6055 111.5908 2.7512 -1100.8733 0.0000 0.0000 2696.8531 6185.9009 297.8749 3489.0478 6220.0269 300.4204 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: 1325.59, 0.00392738/step Wall: 1325.59, 0.00392738/step, 2.3693 hours remaining, 110.789062 MB of memory in use. ENERGY: 328200 638.2850 1890.2688 1958.6563 105.8888 3.9606 -1124.1494 0.0000 0.0000 2710.0090 6182.9191 299.3280 3472.9101 6217.2186 297.5433 LDB: ============= START OF LOAD BALANCING ============== 1328.29 LDB: ============== END OF LOAD BALANCING =============== 1328.29 LDB: =============== DONE WITH MIGRATION ================ 1328.29 LDB: ============= START OF LOAD BALANCING ============== 1328.68 LDB: ============== END OF LOAD BALANCING =============== 1328.68 LDB: =============== DONE WITH MIGRATION ================ 1328.68 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: 1326.37, 0.00392646/step Wall: 1326.37, 0.00392646/step, 2.36853 hours remaining, 110.789062 MB of memory in use. ENERGY: 328400 665.3561 1865.3921 1977.6837 118.0536 4.4882 -1108.6351 0.0000 0.0000 2681.9500 6204.2886 296.2289 3522.3385 6233.7384 298.1519 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: 1327.16, 0.00392403/step Wall: 1327.16, 0.00392403/step, 2.36685 hours remaining, 110.789062 MB of memory in use. ENERGY: 328600 653.6491 1883.4242 1956.5801 109.2755 3.3783 -1076.5653 0.0000 0.0000 2712.9865 6242.7283 299.6569 3529.7419 6274.0997 301.6340 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: 1327.94, 0.00392329/step Wall: 1327.94, 0.00392329/step, 2.36618 hours remaining, 110.789062 MB of memory in use. ENERGY: 328800 684.6714 1840.8766 1962.9346 94.1542 2.7396 -1070.2337 0.0000 0.0000 2747.6611 6262.8039 303.4868 3515.1428 6295.0807 301.5037 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: 1328.73, 0.00392488/step Wall: 1328.73, 0.00392488/step, 2.36692 hours remaining, 110.789062 MB of memory in use. ENERGY: 329000 645.6984 1884.2977 1915.0209 108.9458 2.1353 -1071.5165 0.0000 0.0000 2725.4177 6209.9992 301.0300 3484.5815 6244.7715 298.1145 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: 1329.51, 0.00392378/step Wall: 1329.51, 0.00392378/step, 2.36604 hours remaining, 110.789062 MB of memory in use. ENERGY: 329200 661.1745 1833.9642 1942.0725 95.8569 4.0975 -1050.0044 0.0000 0.0000 2676.0978 6163.2590 295.5825 3487.1612 6196.8972 296.3950 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: 1330.3, 0.00391541/step Wall: 1330.3, 0.00391541/step, 2.36077 hours remaining, 110.789062 MB of memory in use. ENERGY: 329400 624.1973 1889.0908 1961.7304 111.4662 3.6840 -1059.9117 0.0000 0.0000 2672.8613 6203.1183 295.2250 3530.2570 6235.5527 296.5702 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: 1331.08, 0.00392316/step Wall: 1331.08, 0.00392316/step, 2.36523 hours remaining, 110.789062 MB of memory in use. ENERGY: 329600 668.2952 1852.4263 1961.2361 112.5135 2.2428 -1047.3379 0.0000 0.0000 2711.1582 6260.5342 299.4550 3549.3760 6292.7293 300.8514 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: 1331.87, 0.00392256/step Wall: 1331.87, 0.00392256/step, 2.36465 hours remaining, 110.789062 MB of memory in use. ENERGY: 329800 650.7683 1855.5835 1977.9624 118.3332 2.3527 -1067.0651 0.0000 0.0000 2686.4519 6224.3869 296.7261 3537.9350 6256.1828 300.2994 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: 1332.65, 0.00392366/step Wall: 1332.65, 0.00392365/step, 2.36509 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 330000 643.3388 1860.3519 1952.8538 119.0598 3.0588 -1002.0867 0.0000 0.0000 2698.5822 6275.1586 298.0659 3576.5765 6307.6241 299.9789 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 330000 WRITING COORDINATES TO DCD FILE MD.1.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: 1333.48, 0.00417017/step Wall: 1333.48, 0.00417018/step, 2.51346 hours remaining, 110.789062 MB of memory in use. ENERGY: 330200 671.7470 1850.3597 1977.6867 117.6475 3.8487 -1071.4848 0.0000 0.0000 2687.8289 6237.6338 296.8782 3549.8049 6269.2784 299.7362 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: 1334.27, 0.00391582/step Wall: 1334.27, 0.00391582/step, 2.35993 hours remaining, 110.789062 MB of memory in use. ENERGY: 330400 632.1952 1838.5433 1973.6305 106.2471 2.8584 -1052.6412 0.0000 0.0000 2672.3739 6173.2071 295.1711 3500.8333 6205.3918 297.6894 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: 1335.05, 0.00392404/step Wall: 1335.05, 0.00392404/step, 2.36467 hours remaining, 110.789062 MB of memory in use. ENERGY: 330600 629.9523 1817.0100 1953.8101 99.6857 3.0903 -1079.4914 0.0000 0.0000 2722.2317 6146.2888 300.6781 3424.0571 6181.2749 296.4646 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: 1335.84, 0.00392225/step Wall: 1335.84, 0.00392225/step, 2.36337 hours remaining, 110.789062 MB of memory in use. ENERGY: 330800 679.2469 1780.0718 1976.6335 110.1402 3.9564 -1071.9617 0.0000 0.0000 2686.1277 6164.2148 296.6903 3478.0871 6197.7610 295.1046 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: 1336.62, 0.00392203/step Wall: 1336.62, 0.00392203/step, 2.36303 hours remaining, 110.789062 MB of memory in use. ENERGY: 331000 684.8138 1852.1724 1945.7241 112.1174 2.8389 -1062.3745 0.0000 0.0000 2681.0589 6216.3510 296.1304 3535.2920 6249.7431 296.3846 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: 1337.4, 0.00391672/step Wall: 1337.4, 0.00391672/step, 2.35961 hours remaining, 110.789062 MB of memory in use. ENERGY: 331200 629.1890 1840.7213 1932.1348 102.2840 3.1924 -1043.3803 0.0000 0.0000 2657.7900 6121.9312 293.5603 3464.1412 6154.2222 295.9613 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: 1338.19, 0.00392106/step Wall: 1338.19, 0.00392106/step, 2.362 hours remaining, 110.789062 MB of memory in use. ENERGY: 331400 634.1433 1867.2527 1938.8772 113.7751 4.6266 -1093.7170 0.0000 0.0000 2634.3223 6099.2800 290.9682 3464.9577 6129.9268 294.9191 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: 1338.97, 0.00392112/step Wall: 1338.97, 0.00392112/step, 2.36182 hours remaining, 110.789062 MB of memory in use. ENERGY: 331600 639.5198 1828.3490 1928.6585 89.4562 4.1384 -1055.3784 0.0000 0.0000 2679.9136 6114.6570 296.0039 3434.7434 6146.9937 293.6443 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: 1339.76, 0.00392063/step Wall: 1339.76, 0.00392063/step, 2.36131 hours remaining, 110.789062 MB of memory in use. ENERGY: 331800 644.0375 1893.6098 1915.4669 110.5776 2.4527 -1049.1613 0.0000 0.0000 2692.5561 6209.5392 297.4003 3516.9832 6238.4942 296.1945 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: 1340.54, 0.00391986/step Wall: 1340.54, 0.00391986/step, 2.36062 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 332000 675.0587 1896.1976 1934.6648 103.3389 1.0145 -1075.9075 0.0000 0.0000 2673.2369 6207.6040 295.2665 3534.3671 6240.6197 298.3932 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: 1341.32, 0.00391513/step Wall: 1341.32, 0.00391513/step, 2.35756 hours remaining, 110.789062 MB of memory in use. ENERGY: 332200 694.9082 1875.1997 1945.1689 111.2244 2.6468 -1068.4452 0.0000 0.0000 2676.4265 6237.1293 295.6188 3560.7028 6270.6254 300.4423 LDB: ============= START OF LOAD BALANCING ============== 1344.03 LDB: ============== END OF LOAD BALANCING =============== 1344.03 LDB: =============== DONE WITH MIGRATION ================ 1344.03 LDB: ============= START OF LOAD BALANCING ============== 1344.42 LDB: ============== END OF LOAD BALANCING =============== 1344.42 LDB: =============== DONE WITH MIGRATION ================ 1344.42 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: 1342.11, 0.00392442/step Wall: 1342.11, 0.00392442/step, 2.36294 hours remaining, 110.789062 MB of memory in use. ENERGY: 332400 665.4341 1880.8300 1937.2028 108.6737 2.5529 -1087.4073 0.0000 0.0000 2706.5625 6213.8488 298.9474 3507.2863 6247.6668 299.8078 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: 1342.89, 0.00392127/step Wall: 1342.89, 0.00392127/step, 2.36082 hours remaining, 110.789062 MB of memory in use. ENERGY: 332600 648.6828 1897.5420 1932.1899 99.6902 2.9135 -1060.0705 0.0000 0.0000 2681.0935 6202.0415 296.1342 3520.9480 6237.2607 299.6072 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: 1343.68, 0.00392079/step Wall: 1343.68, 0.00392079/step, 2.36032 hours remaining, 110.789062 MB of memory in use. ENERGY: 332800 681.7740 1850.2800 1931.8157 97.5347 2.4508 -1051.8732 0.0000 0.0000 2731.1092 6243.0912 301.6586 3511.9820 6276.2475 299.8119 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: 1344.46, 0.00392246/step Wall: 1344.46, 0.00392246/step, 2.36111 hours remaining, 110.789062 MB of memory in use. ENERGY: 333000 657.0618 1862.0817 1938.2167 109.1650 2.5085 -1050.1287 0.0000 0.0000 2693.9298 6212.8348 297.5520 3518.9050 6245.7886 300.1700 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: 1345.25, 0.00391704/step Wall: 1345.25, 0.00391704/step, 2.35762 hours remaining, 110.789062 MB of memory in use. ENERGY: 333200 647.6987 1865.0288 1954.0248 121.7743 2.8402 -1083.4899 0.0000 0.0000 2691.5143 6199.3912 297.2852 3507.8770 6231.7770 298.7397 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: 1346.03, 0.00392318/step Wall: 1346.03, 0.00392318/step, 2.3611 hours remaining, 110.789062 MB of memory in use. ENERGY: 333400 640.4841 1856.1052 1952.4300 118.6657 2.5788 -1050.8900 0.0000 0.0000 2708.1091 6227.4829 299.1182 3519.3738 6259.3865 299.8944 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: 1346.81, 0.00392295/step Wall: 1346.81, 0.00392295/step, 2.36074 hours remaining, 110.789062 MB of memory in use. ENERGY: 333600 674.4514 1863.5418 1940.5723 112.0714 0.9044 -1085.5947 0.0000 0.0000 2755.6789 6261.6255 304.3724 3505.9466 6294.7177 300.6580 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: 1347.6, 0.0039226/step Wall: 1347.6, 0.0039226/step, 2.36032 hours remaining, 110.789062 MB of memory in use. ENERGY: 333800 664.2558 1866.4547 1964.3413 105.5179 1.7783 -1110.5201 0.0000 0.0000 2728.2130 6220.0410 301.3387 3491.8280 6251.9428 301.2094 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: 1348.38, 0.00391898/step Wall: 1348.38, 0.00391898/step, 2.35792 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 334000 644.0545 1866.8193 1932.0265 104.7070 1.4841 -1086.8890 0.0000 0.0000 2767.2506 6229.4530 305.6505 3462.2024 6263.4836 300.7339 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: 1349.17, 0.00392155/step Wall: 1349.17, 0.00392155/step, 2.35925 hours remaining, 110.789062 MB of memory in use. ENERGY: 334200 652.3047 1873.8398 1928.0021 108.2063 2.1933 -1069.5020 0.0000 0.0000 2703.6808 6198.7251 298.6291 3495.0443 6232.8903 299.3816 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: 1349.95, 0.00392208/step Wall: 1349.95, 0.00392208/step, 2.35935 hours remaining, 110.789062 MB of memory in use. ENERGY: 334400 666.5854 1870.9838 1910.9564 99.8772 0.6379 -1052.2730 0.0000 0.0000 2627.6504 6124.4181 290.2313 3496.7677 6155.0260 296.7884 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: 1350.74, 0.00392211/step Wall: 1350.74, 0.00392211/step, 2.35915 hours remaining, 110.789062 MB of memory in use. ENERGY: 334600 668.6907 1876.9698 1936.8462 107.2803 0.3020 -1083.7279 0.0000 0.0000 2697.5327 6203.8940 297.9500 3506.3612 6235.3409 295.8619 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: 1351.52, 0.00392127/step Wall: 1351.52, 0.00392127/step, 2.35842 hours remaining, 110.789062 MB of memory in use. ENERGY: 334800 666.4636 1858.5763 1954.8657 108.5780 1.8860 -1099.5141 0.0000 0.0000 2695.2893 6186.1447 297.7022 3490.8554 6218.9486 297.9413 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: 1352.3, 0.0039176/step Wall: 1352.3, 0.0039176/step, 2.356 hours remaining, 110.789062 MB of memory in use. ENERGY: 335000 646.2223 1832.4972 1988.0058 98.4071 1.5162 -1076.5691 0.0000 0.0000 2722.6770 6212.7565 300.7273 3490.0795 6245.8539 298.3103 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: 1353.09, 0.00392231/step Wall: 1353.09, 0.00392231/step, 2.35862 hours remaining, 110.789062 MB of memory in use. ENERGY: 335200 652.4892 1893.6342 1953.3024 116.7190 2.3656 -1097.3368 0.0000 0.0000 2719.2639 6240.4375 300.3503 3521.1736 6274.1832 301.5499 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: 1353.87, 0.00392178/step Wall: 1353.87, 0.00392178/step, 2.35808 hours remaining, 110.789062 MB of memory in use. ENERGY: 335400 664.5945 1861.7619 1928.5172 107.4342 3.0343 -1085.4051 0.0000 0.0000 2766.0097 6245.9467 305.5135 3479.9370 6281.3370 300.1204 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: 1354.66, 0.00392285/step Wall: 1354.66, 0.00392285/step, 2.3585 hours remaining, 110.789062 MB of memory in use. ENERGY: 335600 663.5593 1860.6475 1943.8070 113.0262 2.3270 -1065.6760 0.0000 0.0000 2716.3139 6234.0049 300.0244 3517.6910 6266.4127 300.8846 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: 1355.44, 0.00391968/step Wall: 1355.44, 0.00391968/step, 2.35638 hours remaining, 110.789062 MB of memory in use. ENERGY: 335800 653.7162 1900.9713 1937.6052 118.0831 2.7093 -1075.0324 0.0000 0.0000 2747.9810 6286.0336 303.5222 3538.0526 6319.6256 301.5885 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: 1356.22, 0.00391824/step Wall: 1356.22, 0.00391824/step, 2.3553 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 336000 651.3162 1938.5360 1956.1965 112.2101 2.2670 -1082.2790 0.0000 0.0000 2678.0283 6256.2751 295.7957 3578.2468 6288.9603 302.6526 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: 1357.01, 0.00393852/step Wall: 1357.01, 0.00393852/step, 2.36727 hours remaining, 110.789062 MB of memory in use. ENERGY: 336200 674.3532 1869.9258 1939.1728 118.9296 3.5726 -1085.6766 0.0000 0.0000 2761.2692 6281.5466 304.9899 3520.2774 6315.1451 303.0919 LDB: ============= START OF LOAD BALANCING ============== 1359.71 LDB: ============== END OF LOAD BALANCING =============== 1359.71 LDB: =============== DONE WITH MIGRATION ================ 1359.71 LDB: ============= START OF LOAD BALANCING ============== 1360.11 LDB: ============== END OF LOAD BALANCING =============== 1360.11 LDB: =============== DONE WITH MIGRATION ================ 1360.11 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: 1357.8, 0.00392832/step Wall: 1357.8, 0.00392833/step, 2.36092 hours remaining, 110.789062 MB of memory in use. ENERGY: 336400 677.9474 1965.1659 1934.7243 102.8613 2.5005 -1094.1910 0.0000 0.0000 2720.7123 6309.7207 300.5103 3589.0084 6341.8636 303.4891 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: 1358.58, 0.00392416/step Wall: 1358.58, 0.00392416/step, 2.3582 hours remaining, 110.789062 MB of memory in use. ENERGY: 336600 643.3829 1886.6824 1946.6698 105.7690 3.5919 -1030.6393 0.0000 0.0000 2705.3857 6260.8423 298.8174 3555.4567 6295.0543 304.4231 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: 1359.37, 0.0039167/step Wall: 1359.37, 0.0039167/step, 2.3535 hours remaining, 110.789062 MB of memory in use. ENERGY: 336800 649.4987 1897.4709 1929.4267 103.9001 1.4407 -1064.0721 0.0000 0.0000 2693.1019 6210.7670 297.4606 3517.6652 6242.3689 300.4510 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: 1360.15, 0.00392244/step Wall: 1360.15, 0.00392244/step, 2.35673 hours remaining, 110.789062 MB of memory in use. ENERGY: 337000 674.9895 1845.4437 1955.2189 115.4061 2.8625 -1111.7868 0.0000 0.0000 2758.6911 6240.8249 304.7051 3482.1338 6275.6972 300.2343 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: 1360.94, 0.00392344/step Wall: 1360.94, 0.00392344/step, 2.35712 hours remaining, 110.789062 MB of memory in use. ENERGY: 337200 661.8467 1846.0908 1954.9319 105.9108 2.6617 -1074.3846 0.0000 0.0000 2735.3584 6232.4156 302.1279 3497.0573 6266.9080 300.5563 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: 1361.72, 0.00392398/step Wall: 1361.72, 0.00392398/step, 2.35722 hours remaining, 110.789062 MB of memory in use. ENERGY: 337400 664.8182 1826.6641 1926.2488 103.3823 2.7865 -1056.8842 0.0000 0.0000 2697.1908 6164.2065 297.9122 3467.0157 6197.8114 299.7714 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: 1362.51, 0.00392473/step Wall: 1362.51, 0.00392473/step, 2.35746 hours remaining, 110.789062 MB of memory in use. ENERGY: 337600 674.1752 1918.4633 1930.6372 100.3639 2.0801 -1086.9681 0.0000 0.0000 2696.3850 6235.1366 297.8232 3538.7516 6265.9310 298.0464 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: 1363.29, 0.00391724/step Wall: 1363.29, 0.00391724/step, 2.35274 hours remaining, 110.789062 MB of memory in use. ENERGY: 337800 647.6364 1833.0292 1955.5280 104.9503 3.6713 -1052.1051 0.0000 0.0000 2758.3574 6251.0676 304.6683 3492.7102 6288.9071 302.9723 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: 1364.07, 0.00392243/step Wall: 1364.07, 0.00392243/step, 2.35563 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 338000 672.9360 1845.2672 2001.5050 105.8937 3.7469 -1068.6124 0.0000 0.0000 2719.6495 6280.3860 300.3929 3560.7365 6312.9065 304.1564 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: 1364.86, 0.00392347/step Wall: 1364.86, 0.00392347/step, 2.35604 hours remaining, 110.789062 MB of memory in use. ENERGY: 338200 660.2439 1882.0783 1964.3386 98.0975 2.4793 -1047.5602 0.0000 0.0000 2762.1683 6321.8458 305.0892 3559.6775 6352.3653 304.2431 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: 1365.64, 0.00392388/step Wall: 1365.64, 0.00392388/step, 2.35607 hours remaining, 110.789062 MB of memory in use. ENERGY: 338400 672.2089 1872.8736 1964.1667 101.4436 2.7710 -1061.9891 0.0000 0.0000 2768.1975 6319.6722 305.7551 3551.4747 6351.3001 305.7686 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: 1366.43, 0.00391666/step Wall: 1366.43, 0.00391666/step, 2.35152 hours remaining, 110.789062 MB of memory in use. ENERGY: 338600 675.7940 1897.2646 1964.1440 101.6726 3.3429 -1046.7202 0.0000 0.0000 2714.9518 6310.4498 299.8740 3595.4980 6340.7074 302.2122 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: 1367.21, 0.00392274/step Wall: 1367.21, 0.00392274/step, 2.35495 hours remaining, 110.789062 MB of memory in use. ENERGY: 338800 648.6235 1886.2830 1960.7288 110.7306 2.5979 -1070.2262 0.0000 0.0000 2740.6205 6279.3580 302.7092 3538.7375 6310.7735 302.2603 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: 1368, 0.00392339/step Wall: 1368, 0.00392339/step, 2.35512 hours remaining, 110.789062 MB of memory in use. ENERGY: 339000 679.9408 1790.3882 1982.0527 124.2876 2.4931 -1098.2642 0.0000 0.0000 2743.8606 6224.7588 303.0671 3480.8982 6258.1787 301.4311 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: 1370.47, 0.0123533/step Wall: 1370.47, 0.0123533/step, 7.4147 hours remaining, 110.789062 MB of memory in use. ENERGY: 339200 645.7613 1837.0912 1975.0003 109.7791 2.7768 -1068.5532 0.0000 0.0000 2674.7275 6176.5830 295.4311 3501.8555 6209.0616 298.7141 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: 1371.26, 0.00396512/step Wall: 1371.26, 0.00396512/step, 2.37973 hours remaining, 110.789062 MB of memory in use. ENERGY: 339400 641.6432 1823.7099 1972.8331 104.2609 3.0204 -1058.0234 0.0000 0.0000 2677.0185 6164.4627 295.6841 3487.4442 6195.1076 296.1733 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: 1372.04, 0.00392429/step Wall: 1372.04, 0.00392429/step, 2.35501 hours remaining, 110.789062 MB of memory in use. ENERGY: 339600 630.1599 1830.4465 1990.3549 104.3141 2.7289 -1063.3315 0.0000 0.0000 2691.3405 6186.0133 297.2661 3494.6728 6219.9529 296.4485 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: 1372.83, 0.00392318/step Wall: 1372.83, 0.00392318/step, 2.35412 hours remaining, 110.789062 MB of memory in use. ENERGY: 339800 660.5377 1903.0082 1968.0056 103.3930 3.1915 -1094.2696 0.0000 0.0000 2699.6839 6243.5503 298.1876 3543.8664 6279.6088 298.5507 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: 1373.61, 0.00392466/step Wall: 1373.61, 0.00392466/step, 2.3548 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 340000 653.1233 1844.2252 1941.0969 113.8244 4.3151 -1039.2409 0.0000 0.0000 2724.5651 6241.9091 300.9358 3517.3440 6273.9084 301.7913 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 340000 WRITING COORDINATES TO DCD FILE MD.1.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: 1381.36, 0.0387129/step Wall: 1381.36, 0.0387129/step, 23.2256 hours remaining, 110.789062 MB of memory in use. ENERGY: 340200 652.2945 1910.6345 1921.1006 103.5939 3.9357 -1044.3447 0.0000 0.0000 2742.8161 6290.0305 302.9517 3547.2144 6322.3341 301.1005 LDB: ============= START OF LOAD BALANCING ============== 1384.06 LDB: ============== END OF LOAD BALANCING =============== 1384.06 LDB: =============== DONE WITH MIGRATION ================ 1384.06 LDB: ============= START OF LOAD BALANCING ============== 1384.45 LDB: ============== END OF LOAD BALANCING =============== 1384.45 LDB: =============== DONE WITH MIGRATION ================ 1384.45 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: 1382.14, 0.00392769/step Wall: 1382.14, 0.00392769/step, 2.35618 hours remaining, 110.789062 MB of memory in use. ENERGY: 340400 683.8003 1900.8600 1937.7082 114.2520 2.4902 -1047.8769 0.0000 0.0000 2724.3556 6315.5893 300.9127 3591.2337 6348.2013 302.4524 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: 1382.93, 0.00392377/step Wall: 1382.93, 0.00392377/step, 2.35361 hours remaining, 110.789062 MB of memory in use. ENERGY: 340600 663.5289 1857.3832 1952.5987 106.5097 2.5370 -1049.6070 0.0000 0.0000 2742.9312 6275.8816 302.9644 3532.9504 6310.1001 302.5114 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: 1383.71, 0.00392385/step Wall: 1383.71, 0.00392385/step, 2.35344 hours remaining, 110.789062 MB of memory in use. ENERGY: 340800 644.0667 1932.2389 1935.6624 99.8695 3.0682 -1035.2310 0.0000 0.0000 2707.5531 6287.2278 299.0568 3579.6747 6318.8606 301.8165 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: 1384.49, 0.00391744/step Wall: 1384.49, 0.00391744/step, 2.34937 hours remaining, 110.789062 MB of memory in use. ENERGY: 341000 669.8469 1883.6912 1929.2341 97.3496 3.8582 -1073.5197 0.0000 0.0000 2774.0631 6284.5234 306.4030 3510.4603 6316.7002 303.4484 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: 1385.28, 0.00392829/step Wall: 1385.28, 0.00392829/step, 2.35566 hours remaining, 110.789062 MB of memory in use. ENERGY: 341200 658.4474 1856.2713 1941.1964 104.6059 3.1415 -1044.5749 0.0000 0.0000 2786.9325 6306.0201 307.8245 3519.0876 6341.9904 303.1915 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: 1386.07, 0.00392837/step Wall: 1386.07, 0.00392837/step, 2.35549 hours remaining, 110.789062 MB of memory in use. ENERGY: 341400 645.9865 1911.5753 1969.0773 103.3060 2.8511 -1052.9986 0.0000 0.0000 2707.3148 6287.1124 299.0305 3579.7976 6319.0391 304.2128 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: 1386.85, 0.00392779/step Wall: 1386.85, 0.00392779/step, 2.35493 hours remaining, 110.789062 MB of memory in use. ENERGY: 341600 651.9054 1864.1327 1953.4478 121.0075 3.1922 -1039.9791 0.0000 0.0000 2698.2597 6251.9662 298.0303 3553.7066 6282.8306 301.8126 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: 1387.64, 0.00392408/step Wall: 1387.64, 0.00392408/step, 2.35249 hours remaining, 110.789062 MB of memory in use. ENERGY: 341800 671.6962 1868.0465 1960.8633 99.2620 3.9174 -1088.3171 0.0000 0.0000 2741.9407 6257.4091 302.8550 3515.4684 6290.4533 300.8599 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: 1388.42, 0.00391852/step Wall: 1388.42, 0.00391852/step, 2.34894 hours remaining, 110.789062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 342000 637.5790 1858.9065 1957.2843 129.0611 2.7446 -1046.8908 0.0000 0.0000 2725.0295 6263.7143 300.9871 3538.6848 6295.4362 301.5478 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: 1389.2, 0.00392308/step Wall: 1389.2, 0.00392308/step, 2.35145 hours remaining, 110.789062 MB of memory in use. ENERGY: 342200 692.8500 1791.6540 1983.9367 110.3199 2.7400 -1040.0353 0.0000 0.0000 2751.9821 6293.4473 303.9641 3541.4652 6328.1168 302.2911 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: 1389.99, 0.00392307/step Wall: 1389.99, 0.00392307/step, 2.35123 hours remaining, 110.832031 MB of memory in use. ENERGY: 342400 631.7887 1824.3293 1967.7420 115.6511 3.0414 -1015.2651 0.0000 0.0000 2793.3173 6320.6047 308.5297 3527.2874 6358.2988 303.3718 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: 1390.77, 0.00392364/step Wall: 1390.77, 0.00392364/step, 2.35135 hours remaining, 110.832031 MB of memory in use. ENERGY: 342600 673.6638 1885.2583 1952.7385 117.7557 4.1434 -1082.9042 0.0000 0.0000 2757.8956 6308.5512 304.6172 3550.6556 6343.5653 303.0530 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: 1391.56, 0.00392398/step Wall: 1391.56, 0.00392398/step, 2.35134 hours remaining, 110.832031 MB of memory in use. ENERGY: 342800 679.3356 1903.7622 1939.0713 100.6309 2.9094 -1107.7495 0.0000 0.0000 2723.1202 6241.0802 300.7762 3517.9600 6273.3724 300.1458 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: 1392.34, 0.00391824/step Wall: 1392.34, 0.00391824/step, 2.34768 hours remaining, 110.832031 MB of memory in use. ENERGY: 343000 665.1376 1842.1112 1943.5762 101.8146 3.7005 -1082.4336 0.0000 0.0000 2685.1602 6159.0667 296.5834 3473.9065 6194.5739 297.7444 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: 1393.13, 0.00392678/step Wall: 1393.13, 0.00392678/step, 2.35258 hours remaining, 110.832031 MB of memory in use. ENERGY: 343200 657.0795 1821.3880 1922.1431 114.3292 3.6200 -1070.7390 0.0000 0.0000 2696.6468 6144.4676 297.8522 3447.8207 6178.0281 295.2455 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: 1393.91, 0.00392508/step Wall: 1393.91, 0.00392508/step, 2.35134 hours remaining, 110.832031 MB of memory in use. ENERGY: 343400 638.7731 1803.9077 1958.5471 101.1221 3.6539 -1067.8245 0.0000 0.0000 2653.8519 6092.0312 293.1253 3438.1793 6124.8282 292.6547 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: 1394.7, 0.00392349/step Wall: 1394.7, 0.00392349/step, 2.35017 hours remaining, 110.832031 MB of memory in use. ENERGY: 343600 646.3585 1831.5722 1923.3941 100.5145 3.2049 -1038.9160 0.0000 0.0000 2686.7032 6152.8313 296.7539 3466.1281 6183.9458 293.8882 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: 1395.48, 0.00391722/step Wall: 1395.48, 0.00391722/step, 2.3462 hours remaining, 110.832031 MB of memory in use. ENERGY: 343800 643.6963 1842.0895 1937.9152 109.8587 2.9187 -1072.0136 0.0000 0.0000 2729.2716 6193.7363 301.4556 3464.4647 6224.5003 297.5516 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: 1396.27, 0.00392275/step Wall: 1396.27, 0.00392275/step, 2.34929 hours remaining, 110.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 344000 661.2191 1828.0305 1960.9709 95.1345 1.7998 -1088.4985 0.0000 0.0000 2720.6359 6179.2922 300.5018 3458.6564 6211.4908 299.2295 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: 1397.05, 0.00393204/step Wall: 1397.05, 0.00393204/step, 2.35464 hours remaining, 110.832031 MB of memory in use. ENERGY: 344200 674.0271 1940.4580 1939.5703 97.1765 0.9542 -1062.0848 0.0000 0.0000 2639.7614 6229.8627 291.5690 3590.1013 6261.9534 299.2304 LDB: ============= START OF LOAD BALANCING ============== 1399.75 LDB: ============== END OF LOAD BALANCING =============== 1399.75 LDB: =============== DONE WITH MIGRATION ================ 1399.75 LDB: ============= START OF LOAD BALANCING ============== 1400.15 LDB: ============== END OF LOAD BALANCING =============== 1400.15 LDB: =============== DONE WITH MIGRATION ================ 1400.15 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: 1397.84, 0.00393229/step Wall: 1397.84, 0.00393229/step, 2.35457 hours remaining, 110.832031 MB of memory in use. ENERGY: 344400 679.8124 1837.3352 1960.8204 111.0398 0.9644 -1050.7163 0.0000 0.0000 2697.3782 6236.6341 297.9329 3539.2558 6270.4888 300.1808 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: 1398.62, 0.0039267/step Wall: 1398.62, 0.0039267/step, 2.351 hours remaining, 110.832031 MB of memory in use. ENERGY: 344600 660.7621 1852.5116 1932.5370 108.8016 2.5071 -1085.4172 0.0000 0.0000 2747.7537 6219.4557 303.4971 3471.7020 6254.0099 301.2905 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: 1399.41, 0.00391829/step Wall: 1399.41, 0.00391829/step, 2.34575 hours remaining, 110.832031 MB of memory in use. ENERGY: 344800 671.4325 1874.1269 1953.7992 100.3144 1.9165 -1079.4648 0.0000 0.0000 2657.9360 6180.0606 293.5764 3522.1246 6212.2279 299.4522 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: 1400.19, 0.00392397/step Wall: 1400.19, 0.00392397/step, 2.34893 hours remaining, 110.832031 MB of memory in use. ENERGY: 345000 664.4330 1815.3602 1925.2966 105.6708 2.5540 -1074.1436 0.0000 0.0000 2741.9642 6181.1352 302.8576 3439.1710 6213.9347 297.4158 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: 1400.98, 0.00392522/step Wall: 1400.98, 0.00392522/step, 2.34946 hours remaining, 110.832031 MB of memory in use. ENERGY: 345200 670.6661 1827.5238 1922.3630 116.7936 2.8321 -1068.2858 0.0000 0.0000 2753.8124 6225.7052 304.1663 3471.8927 6259.6129 299.7821 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: 1401.76, 0.00392442/step Wall: 1401.76, 0.00392442/step, 2.34877 hours remaining, 110.832031 MB of memory in use. ENERGY: 345400 652.6049 1879.2092 1939.7299 107.5569 3.4898 -1063.7819 0.0000 0.0000 2720.0912 6238.8999 300.4416 3518.8087 6274.6534 302.2413 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: 1402.55, 0.00392404/step Wall: 1402.55, 0.00392404/step, 2.34832 hours remaining, 110.832031 MB of memory in use. ENERGY: 345600 631.5178 1856.9417 1941.2746 114.0887 2.8200 -1083.3587 0.0000 0.0000 2748.0916 6211.3756 303.5344 3463.2841 6246.3381 299.8666 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: 1405.87, 0.0166216/step Wall: 1405.87, 0.0166216/step, 9.9462 hours remaining, 110.832031 MB of memory in use. ENERGY: 345800 650.5228 1903.6281 1945.7239 95.3338 2.6371 -1087.4609 0.0000 0.0000 2652.6071 6162.9919 292.9878 3510.3848 6194.6890 298.1478 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: 1406.66, 0.00394829/step Wall: 1406.66, 0.00394829/step, 2.36239 hours remaining, 110.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 346000 648.6774 1830.0585 1940.9037 99.3392 2.5547 -1073.6675 0.0000 0.0000 2789.1200 6236.9861 308.0661 3447.8661 6273.7884 299.9619 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: 1407.44, 0.00391757/step Wall: 1407.44, 0.00391757/step, 2.3438 hours remaining, 110.832031 MB of memory in use. ENERGY: 346200 680.7886 1850.2517 1952.9564 113.6712 1.8065 -1072.1715 0.0000 0.0000 2762.0538 6289.3567 305.0765 3527.3029 6322.0222 303.9541 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: 1408.23, 0.00392284/step Wall: 1408.23, 0.00392284/step, 2.34673 hours remaining, 110.835938 MB of memory in use. ENERGY: 346400 681.0645 1845.9009 1955.6876 117.3974 1.2667 -1081.1078 0.0000 0.0000 2748.9230 6269.1323 303.6262 3520.2093 6301.4544 302.8805 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: 1409.01, 0.00392571/step Wall: 1409.01, 0.00392571/step, 2.34823 hours remaining, 110.835938 MB of memory in use. ENERGY: 346600 661.8165 1832.7219 1962.1587 96.7259 3.2640 -1052.4858 0.0000 0.0000 2756.9619 6261.1632 304.5141 3504.2013 6295.2742 301.0093 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: 1409.8, 0.00392469/step Wall: 1409.8, 0.00392469/step, 2.3474 hours remaining, 110.835938 MB of memory in use. ENERGY: 346800 667.4819 1822.2545 1953.9805 111.5169 2.4448 -1048.4104 0.0000 0.0000 2745.9141 6255.1823 303.2939 3509.2682 6286.8898 303.7895 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: 1410.58, 0.0039249/step Wall: 1410.58, 0.0039249/step, 2.34731 hours remaining, 110.835938 MB of memory in use. ENERGY: 347000 658.2116 1883.9661 1956.2406 102.3378 3.0945 -1051.6605 0.0000 0.0000 2729.2738 6281.4640 301.4559 3552.1902 6313.1378 302.6525 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: 1411.37, 0.00391807/step Wall: 1411.37, 0.00391807/step, 2.34301 hours remaining, 110.835938 MB of memory in use. ENERGY: 347200 667.8329 1906.5552 1939.2759 100.6487 2.5701 -1060.1946 0.0000 0.0000 2700.8397 6257.5279 298.3153 3556.6882 6289.5257 301.0920 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: 1412.15, 0.00392355/step Wall: 1412.15, 0.00392355/step, 2.34606 hours remaining, 110.835938 MB of memory in use. ENERGY: 347400 650.6625 1822.7319 1968.0333 99.4260 2.8709 -1077.2773 0.0000 0.0000 2788.3139 6254.7612 307.9770 3466.4473 6289.9222 303.0704 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: 1412.94, 0.00392401/step Wall: 1412.94, 0.00392401/step, 2.34612 hours remaining, 110.835938 MB of memory in use. ENERGY: 347600 652.7839 1832.0275 1973.7076 112.0011 2.2359 -1065.9494 0.0000 0.0000 2692.3603 6199.1670 297.3787 3506.8067 6232.3195 300.4849 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: 1413.72, 0.00392368/step Wall: 1413.72, 0.00392368/step, 2.3457 hours remaining, 110.835938 MB of memory in use. ENERGY: 347800 671.6373 1854.7653 1951.9618 103.9139 2.7576 -1091.6411 0.0000 0.0000 2709.0449 6202.4395 299.2216 3493.3946 6236.6997 299.5675 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: 1414.51, 0.00391859/step Wall: 1414.51, 0.00391859/step, 2.34245 hours remaining, 110.835938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 348000 663.5086 1817.2191 1933.7679 117.7534 1.6890 -1129.2053 0.0000 0.0000 2748.3667 6153.0994 303.5648 3404.7327 6186.6084 297.0817 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: 1415.29, 0.00392448/step Wall: 1415.29, 0.00392448/step, 2.34575 hours remaining, 110.835938 MB of memory in use. ENERGY: 348200 629.5901 1879.0699 1962.2466 118.2348 2.3815 -1082.0576 0.0000 0.0000 2606.4602 6115.9255 287.8908 3509.4652 6147.3606 295.9328 LDB: ============= START OF LOAD BALANCING ============== 1417.99 LDB: ============== END OF LOAD BALANCING =============== 1417.99 LDB: =============== DONE WITH MIGRATION ================ 1417.99 LDB: ============= START OF LOAD BALANCING ============== 1418.39 LDB: ============== END OF LOAD BALANCING =============== 1418.39 LDB: =============== DONE WITH MIGRATION ================ 1418.39 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: 1416.08, 0.00392915/step Wall: 1416.08, 0.00392915/step, 2.34832 hours remaining, 110.835938 MB of memory in use. ENERGY: 348400 667.6426 1859.7803 1947.2121 105.1563 1.8775 -1088.1362 0.0000 0.0000 2635.7991 6129.3316 291.1314 3493.5325 6161.0630 295.1839 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: 1416.86, 0.00392339/step Wall: 1416.86, 0.00392339/step, 2.34466 hours remaining, 110.835938 MB of memory in use. ENERGY: 348600 665.2156 1803.4342 1957.1543 111.0422 3.4502 -1068.4171 0.0000 0.0000 2697.4789 6169.3585 297.9441 3471.8796 6202.3333 295.0624 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: 1417.65, 0.00392311/step Wall: 1417.65, 0.00392311/step, 2.34428 hours remaining, 110.835938 MB of memory in use. ENERGY: 348800 671.6804 1856.5444 1941.9242 115.3434 3.1681 -1093.8933 0.0000 0.0000 2684.2438 6179.0110 296.4822 3494.7672 6212.6593 296.7871 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: 1418.43, 0.00391725/step Wall: 1418.43, 0.00391725/step, 2.34056 hours remaining, 110.835938 MB of memory in use. ENERGY: 349000 649.8639 1825.0631 1941.9801 112.6620 2.4827 -1046.8866 0.0000 0.0000 2676.8218 6161.9871 295.6624 3485.1652 6196.0102 297.1797 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: 1419.21, 0.00392367/step Wall: 1419.21, 0.00392367/step, 2.34417 hours remaining, 110.835938 MB of memory in use. ENERGY: 349200 636.9506 1845.2549 1955.4771 108.0068 2.8476 -1083.7843 0.0000 0.0000 2703.3188 6168.0715 298.5891 3464.7527 6201.8608 297.7347 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: 1420, 0.00392464/step Wall: 1420, 0.00392464/step, 2.34453 hours remaining, 110.835938 MB of memory in use. ENERGY: 349400 645.8877 1875.2383 1990.3980 105.9408 4.1217 -1093.7866 0.0000 0.0000 2698.6329 6226.4328 298.0715 3527.7999 6257.7139 297.8627 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: 1420.78, 0.00392328/step Wall: 1420.78, 0.00392328/step, 2.34351 hours remaining, 110.835938 MB of memory in use. ENERGY: 349600 676.9826 1831.6910 1972.8757 106.3722 3.1451 -1042.3810 0.0000 0.0000 2704.2505 6252.9361 298.6920 3548.6856 6285.5427 301.0577 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: 1421.57, 0.00391733/step Wall: 1421.57, 0.00391733/step, 2.33973 hours remaining, 110.835938 MB of memory in use. ENERGY: 349800 650.6586 1875.5506 1988.2057 104.3549 2.3865 -1089.2998 0.0000 0.0000 2727.3848 6259.2414 301.2473 3531.8565 6290.6409 301.4339 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: 1422.35, 0.00392502/step Wall: 1422.35, 0.00392503/step, 2.34411 hours remaining, 110.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 350000 672.2066 1846.8156 1968.2731 114.9483 3.2536 -1065.4359 0.0000 0.0000 2738.5229 6278.5841 302.4775 3540.0613 6314.3700 302.1072 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 350000 WRITING COORDINATES TO DCD FILE MD.1.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: 1423.16, 0.0040597/step Wall: 1423.16, 0.0040597/step, 2.42431 hours remaining, 110.976562 MB of memory in use. ENERGY: 350200 662.2305 1832.2616 1968.7389 107.0453 3.0302 -1059.3606 0.0000 0.0000 2743.6639 6257.6097 303.0453 3513.9458 6291.6458 302.1088 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: 1423.95, 0.00392424/step Wall: 1423.95, 0.00392424/step, 2.34321 hours remaining, 110.976562 MB of memory in use. ENERGY: 350400 647.5068 1877.9774 1952.2648 94.6683 3.0367 -1066.5772 0.0000 0.0000 2701.2074 6210.0842 298.3559 3508.8768 6245.3129 300.3713 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: 1424.73, 0.00392412/step Wall: 1424.73, 0.00392412/step, 2.34292 hours remaining, 110.976562 MB of memory in use. ENERGY: 350600 648.2371 1902.4735 1969.5022 103.8973 3.0178 -1102.0727 0.0000 0.0000 2693.8975 6218.9527 297.5485 3525.0552 6254.2298 299.9218 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: 1425.52, 0.00391706/step Wall: 1425.52, 0.00391706/step, 2.33849 hours remaining, 110.976562 MB of memory in use. ENERGY: 350800 626.4429 1883.0911 1961.1555 115.7689 2.2328 -1078.5403 0.0000 0.0000 2737.3299 6247.4808 302.3457 3510.1509 6282.7429 301.7319 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: 1426.3, 0.00392366/step Wall: 1426.3, 0.00392366/step, 2.34221 hours remaining, 110.976562 MB of memory in use. ENERGY: 351000 661.6519 1894.3392 1956.3323 106.3998 2.8930 -1098.4005 0.0000 0.0000 2718.3921 6241.6078 300.2540 3523.2157 6274.9887 301.3519 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: 1427.09, 0.00392265/step Wall: 1427.09, 0.00392265/step, 2.34138 hours remaining, 110.976562 MB of memory in use. ENERGY: 351200 636.7324 1893.3784 1939.4063 115.4005 2.5470 -1098.9364 0.0000 0.0000 2794.5215 6283.0497 308.6627 3488.5283 6315.1722 302.0312 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: 1427.87, 0.00392294/step Wall: 1427.87, 0.00392294/step, 2.34134 hours remaining, 110.976562 MB of memory in use. ENERGY: 351400 657.6206 1903.3235 1982.6351 112.8412 2.1887 -1076.2317 0.0000 0.0000 2693.9877 6276.3651 297.5584 3582.3774 6305.4022 303.0515 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: 1428.66, 0.00392309/step Wall: 1428.66, 0.00392309/step, 2.34121 hours remaining, 110.976562 MB of memory in use. ENERGY: 351600 653.7981 1876.8875 1954.1209 117.3050 1.4927 -1075.7879 0.0000 0.0000 2775.6764 6303.4927 306.5812 3527.8164 6336.9447 303.1349 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: 1429.44, 0.00391591/step Wall: 1429.44, 0.00391591/step, 2.33671 hours remaining, 110.976562 MB of memory in use. ENERGY: 351800 659.3527 1886.0563 1951.4815 108.3939 1.3604 -1061.1068 0.0000 0.0000 2771.5398 6317.0778 306.1243 3545.5380 6352.7872 303.7222 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: 1430.22, 0.00392156/step Wall: 1430.22, 0.00392156/step, 2.33986 hours remaining, 110.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 352000 673.9273 1878.9947 1967.7468 115.2760 1.9578 -1029.3331 0.0000 0.0000 2700.3563 6308.9258 298.2619 3608.5695 6339.7868 304.0607 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: 1431.01, 0.00392347/step Wall: 1431.01, 0.00392348/step, 2.34079 hours remaining, 110.976562 MB of memory in use. ENERGY: 352200 691.3610 1831.5297 1953.8442 109.1845 1.5528 -1073.5415 0.0000 0.0000 2755.6038 6269.5345 304.3641 3513.9308 6305.0720 303.2166 LDB: ============= START OF LOAD BALANCING ============== 1433.71 LDB: ============== END OF LOAD BALANCING =============== 1433.71 LDB: =============== DONE WITH MIGRATION ================ 1433.71 LDB: ============= START OF LOAD BALANCING ============== 1434.1 LDB: ============== END OF LOAD BALANCING =============== 1434.1 LDB: =============== DONE WITH MIGRATION ================ 1434.1 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: 1431.79, 0.00392779/step Wall: 1431.79, 0.00392779/step, 2.34314 hours remaining, 110.976562 MB of memory in use. ENERGY: 352400 654.2282 1810.8143 1927.1318 100.2167 1.7703 -1072.3006 0.0000 0.0000 2822.9342 6244.7949 311.8009 3421.8606 6281.0692 301.9906 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: 1432.58, 0.00391784/step Wall: 1432.58, 0.00391784/step, 2.33699 hours remaining, 110.976562 MB of memory in use. ENERGY: 352600 658.5955 1838.2632 1933.0714 98.9619 1.7005 -1053.2113 0.0000 0.0000 2706.5005 6183.8817 298.9405 3477.3811 6217.1630 299.0252 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: 1433.36, 0.00392247/step Wall: 1433.36, 0.00392247/step, 2.33954 hours remaining, 110.976562 MB of memory in use. ENERGY: 352800 636.9324 1818.7906 1973.0858 99.5145 2.0918 -1070.5255 0.0000 0.0000 2729.2271 6189.1168 301.4507 3459.8897 6223.4683 296.6722 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: 1434.15, 0.00392139/step Wall: 1434.15, 0.00392139/step, 2.33867 hours remaining, 110.976562 MB of memory in use. ENERGY: 353000 677.0582 1802.5275 1969.6758 106.5678 3.4061 -1055.6571 0.0000 0.0000 2679.8841 6183.4624 296.0007 3503.5784 6214.8385 298.4864 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: 1434.93, 0.00392388/step Wall: 1434.93, 0.00392388/step, 2.33994 hours remaining, 110.976562 MB of memory in use. ENERGY: 353200 644.7480 1852.7685 1969.3433 99.4413 2.4079 -1055.1412 0.0000 0.0000 2693.1901 6206.7579 297.4704 3513.5678 6239.7747 297.8685 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: 1435.71, 0.00392144/step Wall: 1435.71, 0.00392144/step, 2.33827 hours remaining, 110.976562 MB of memory in use. ENERGY: 353400 638.3169 1818.0769 1970.2749 112.7100 1.6633 -1074.4925 0.0000 0.0000 2737.1213 6203.6709 302.3227 3466.5496 6240.0744 299.0865 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: 1436.5, 0.00391574/step Wall: 1436.5, 0.00391574/step, 2.33465 hours remaining, 110.976562 MB of memory in use. ENERGY: 353600 611.5104 1842.0999 1958.1053 120.6896 1.8361 -1052.5999 0.0000 0.0000 2684.0812 6165.7227 296.4642 3481.6415 6200.8197 299.0695 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: 1437.28, 0.0039359/step Wall: 1437.28, 0.0039359/step, 2.34646 hours remaining, 110.976562 MB of memory in use. ENERGY: 353800 642.6312 1847.6564 1946.6456 113.7126 1.1825 -1053.0478 0.0000 0.0000 2731.6183 6230.3989 301.7149 3498.7805 6262.3149 299.2150 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: 1439.7, 0.0120591/step Wall: 1439.7, 0.0120591/step, 7.18855 hours remaining, 110.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 354000 668.9907 1879.3830 1920.7401 105.9224 1.4081 -1042.6416 0.0000 0.0000 2708.7600 6242.5627 299.1901 3533.8026 6277.2378 300.1495 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: 1440.49, 0.00395382/step Wall: 1440.49, 0.00395383/step, 2.3567 hours remaining, 110.976562 MB of memory in use. ENERGY: 354200 674.1699 1796.0390 1928.4566 110.4137 1.8455 -1049.8222 0.0000 0.0000 2726.1386 6187.2411 301.1096 3461.1025 6221.1368 299.2478 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: 1441.27, 0.00392131/step Wall: 1441.27, 0.00392131/step, 2.3371 hours remaining, 110.976562 MB of memory in use. ENERGY: 354400 631.9894 1818.3462 1963.4393 114.5640 2.6558 -1055.3398 0.0000 0.0000 2694.0294 6169.6844 297.5631 3475.6549 6204.8874 297.1418 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: 1442.06, 0.00392205/step Wall: 1442.06, 0.00392205/step, 2.33732 hours remaining, 110.976562 MB of memory in use. ENERGY: 354600 628.6901 1828.5075 1958.3696 114.0392 0.4722 -1080.6790 0.0000 0.0000 2729.7972 6179.1970 301.5137 3449.3998 6214.5291 295.9024 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: 1442.84, 0.00392214/step Wall: 1442.84, 0.00392214/step, 2.33716 hours remaining, 110.976562 MB of memory in use. ENERGY: 354800 658.5995 1821.1535 1927.5506 101.9051 1.0196 -1064.7399 0.0000 0.0000 2777.6676 6223.1560 306.8011 3445.4884 6261.3249 300.1903 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: 1443.62, 0.0039187/step Wall: 1443.62, 0.0039187/step, 2.3349 hours remaining, 110.976562 MB of memory in use. ENERGY: 355000 662.8208 1877.9662 1958.1506 120.5583 0.9435 -1103.2024 0.0000 0.0000 2710.8049 6228.0419 299.4159 3517.2370 6261.1255 301.6261 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: 1444.41, 0.00391926/step Wall: 1444.41, 0.00391926/step, 2.33501 hours remaining, 110.976562 MB of memory in use. ENERGY: 355200 650.5608 1876.6562 1964.3212 114.3917 1.9142 -1092.2227 0.0000 0.0000 2700.9590 6216.5806 298.3284 3515.6215 6248.1826 301.6097 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: 1445.19, 0.00392727/step Wall: 1445.19, 0.00392728/step, 2.33957 hours remaining, 110.976562 MB of memory in use. ENERGY: 355400 651.7428 1846.0915 1931.4533 115.5489 2.8507 -1079.7373 0.0000 0.0000 2688.0999 6156.0498 296.9081 3467.9499 6188.2546 297.4279 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: 1445.98, 0.0039247/step Wall: 1445.98, 0.0039247/step, 2.33781 hours remaining, 110.976562 MB of memory in use. ENERGY: 355600 630.4441 1823.6491 1957.9493 106.4786 2.4296 -1072.2619 0.0000 0.0000 2702.1701 6150.8588 298.4622 3448.6887 6184.5174 296.1852 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: 1446.76, 0.00392459/step Wall: 1446.76, 0.00392459/step, 2.33753 hours remaining, 110.976562 MB of memory in use. ENERGY: 355800 644.6322 1816.9390 1933.2440 109.7838 1.9502 -1041.9412 0.0000 0.0000 2644.3601 6108.9681 292.0769 3464.6080 6138.7054 295.1040 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: 1447.55, 0.00391545/step Wall: 1447.55, 0.00391545/step, 2.33187 hours remaining, 110.976562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 356000 648.0563 1830.2209 1937.4977 111.5567 0.7214 -1083.2982 0.0000 0.0000 2699.4401 6144.1949 298.1607 3444.7548 6174.1242 295.6117 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: 1448.33, 0.00392211/step Wall: 1448.33, 0.00392211/step, 2.33562 hours remaining, 110.976562 MB of memory in use. ENERGY: 356200 635.5458 1835.7623 1971.8734 112.5966 0.9087 -1042.4107 0.0000 0.0000 2629.8148 6144.0909 290.4704 3514.2761 6178.6317 294.7963 LDB: ============= START OF LOAD BALANCING ============== 1451.03 LDB: ============== END OF LOAD BALANCING =============== 1451.03 LDB: =============== DONE WITH MIGRATION ================ 1451.03 LDB: ============= START OF LOAD BALANCING ============== 1451.42 LDB: ============== END OF LOAD BALANCING =============== 1451.42 LDB: =============== DONE WITH MIGRATION ================ 1451.43 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: 1449.12, 0.00392668/step Wall: 1449.12, 0.00392668/step, 2.33812 hours remaining, 110.976562 MB of memory in use. ENERGY: 356400 674.8896 1848.2496 1949.6877 111.6895 2.3580 -1070.1925 0.0000 0.0000 2637.8352 6154.5171 291.3562 3516.6820 6185.9241 295.4314 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: 1449.9, 0.00392246/step Wall: 1449.9, 0.00392246/step, 2.33539 hours remaining, 110.976562 MB of memory in use. ENERGY: 356600 666.5611 1838.6722 1952.1439 109.9206 1.4322 -1093.3917 0.0000 0.0000 2680.5220 6155.8603 296.0711 3475.3383 6188.5010 296.9653 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: 1450.69, 0.00392238/step Wall: 1450.69, 0.00392238/step, 2.33513 hours remaining, 110.976562 MB of memory in use. ENERGY: 356800 646.9686 1814.9578 1980.9158 103.1739 0.7656 -1078.2167 0.0000 0.0000 2711.6134 6180.1783 299.5052 3468.5649 6211.4152 296.6009 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: 1451.47, 0.00391562/step Wall: 1451.47, 0.00391562/step, 2.33088 hours remaining, 110.976562 MB of memory in use. ENERGY: 357000 647.9320 1796.0214 1960.0032 106.0274 1.6117 -1057.1305 0.0000 0.0000 2733.5030 6187.9682 301.9230 3454.4652 6223.7116 298.7495 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: 1452.25, 0.00392205/step Wall: 1452.25, 0.00392205/step, 2.33449 hours remaining, 110.976562 MB of memory in use. ENERGY: 357200 644.4350 1819.6349 1971.9970 100.2827 2.8466 -1025.2658 0.0000 0.0000 2675.0558 6188.9862 295.4674 3513.9304 6222.3604 297.1781 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: 1453.04, 0.00392311/step Wall: 1453.04, 0.00392311/step, 2.3349 hours remaining, 110.976562 MB of memory in use. ENERGY: 357400 670.2447 1869.7467 1958.6099 108.7441 2.2108 -1075.0681 0.0000 0.0000 2724.9268 6259.4149 300.9758 3534.4882 6291.7821 300.5912 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: 1453.82, 0.0039235/step Wall: 1453.82, 0.0039235/step, 2.33492 hours remaining, 110.980469 MB of memory in use. ENERGY: 357600 690.4188 1803.4531 1965.4330 115.8492 1.4178 -1069.7170 0.0000 0.0000 2707.6025 6214.4575 299.0622 3506.8550 6247.6794 298.7180 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: 1454.6, 0.00391512/step Wall: 1454.6, 0.00391512/step, 2.32971 hours remaining, 110.984375 MB of memory in use. ENERGY: 357800 722.5940 1809.5345 1957.0427 110.7291 0.6932 -1091.9839 0.0000 0.0000 2732.6599 6241.2696 301.8299 3508.6097 6274.3712 300.5110 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: 1455.39, 0.00392123/step Wall: 1455.39, 0.00392123/step, 2.33313 hours remaining, 110.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 358000 666.6962 1864.9595 1968.0124 109.7505 0.6904 -1066.0970 0.0000 0.0000 2658.2636 6202.2757 293.6126 3544.0121 6234.3993 297.5893 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: 1456.17, 0.00392165/step Wall: 1456.17, 0.00392165/step, 2.33316 hours remaining, 110.984375 MB of memory in use. ENERGY: 358200 661.1679 1883.2828 1946.8227 103.2672 1.8164 -1075.7943 0.0000 0.0000 2750.0135 6270.5762 303.7467 3520.5627 6305.3079 299.9270 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: 1456.96, 0.00392304/step Wall: 1456.96, 0.00392304/step, 2.33377 hours remaining, 110.984375 MB of memory in use. ENERGY: 358400 663.6304 1858.3992 1957.1531 121.9520 2.1679 -1073.0586 0.0000 0.0000 2707.3039 6237.5479 299.0293 3530.2441 6271.1364 300.5579 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: 1457.74, 0.00392212/step Wall: 1457.74, 0.00392212/step, 2.33301 hours remaining, 110.984375 MB of memory in use. ENERGY: 358600 676.1270 1916.9862 1949.3461 108.1482 1.1100 -1109.5812 0.0000 0.0000 2723.8216 6265.9579 300.8537 3542.1363 6301.5100 300.7016 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: 1458.53, 0.003916/step Wall: 1458.53, 0.003916/step, 2.32915 hours remaining, 110.984375 MB of memory in use. ENERGY: 358800 671.9469 1900.0144 1943.3961 113.6449 1.3371 -1058.4456 0.0000 0.0000 2748.9750 6320.8689 303.6319 3571.8939 6353.4931 303.7805 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: 1459.31, 0.00392027/step Wall: 1459.31, 0.00392027/step, 2.33147 hours remaining, 110.984375 MB of memory in use. ENERGY: 359000 662.8089 1854.2020 1951.6118 108.1550 1.4750 -1037.1633 0.0000 0.0000 2743.7755 6284.8649 303.0576 3541.0894 6320.2498 305.1962 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: 1460.09, 0.00392101/step Wall: 1460.09, 0.00392101/step, 2.33169 hours remaining, 110.984375 MB of memory in use. ENERGY: 359200 649.5637 1809.5276 1954.5589 121.5095 2.3955 -1073.3010 0.0000 0.0000 2770.9866 6235.2410 306.0632 3464.2544 6271.6043 302.6501 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: 1460.88, 0.00392071/step Wall: 1460.88, 0.00392071/step, 2.3313 hours remaining, 110.984375 MB of memory in use. ENERGY: 359400 667.0737 1803.9564 1930.9079 104.3616 3.8446 -1057.9352 0.0000 0.0000 2701.6852 6153.8943 298.4087 3452.2091 6189.2356 297.5097 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: 1461.66, 0.00392158/step Wall: 1461.66, 0.00392158/step, 2.33159 hours remaining, 110.984375 MB of memory in use. ENERGY: 359600 653.7551 1836.1398 1929.5005 91.3448 2.7622 -1041.4143 0.0000 0.0000 2707.2383 6179.3265 299.0220 3472.0882 6211.0361 296.6411 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: 1462.45, 0.00391728/step Wall: 1462.45, 0.00391728/step, 2.32883 hours remaining, 110.984375 MB of memory in use. ENERGY: 359800 647.9585 1873.0233 1958.1379 102.8473 1.1624 -1044.5779 0.0000 0.0000 2691.8538 6230.4052 297.3228 3538.5514 6259.7413 300.1905 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: 1463.23, 0.00392194/step Wall: 1463.23, 0.00392194/step, 2.33137 hours remaining, 111.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 360000 687.9280 1803.7501 1951.9459 111.7215 0.4850 -1062.9747 0.0000 0.0000 2705.3421 6198.1979 298.8126 3492.8558 6228.4311 298.4078 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 360000 WRITING COORDINATES TO DCD FILE MD.1.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: 1464.75, 0.00759085/step Wall: 1464.75, 0.00759086/step, 4.51192 hours remaining, 111.082031 MB of memory in use. ENERGY: 360200 699.0279 1781.1544 1935.2692 102.1689 1.3894 -1019.8870 0.0000 0.0000 2737.1529 6236.2758 302.3262 3499.1229 6268.5979 298.5302 LDB: ============= START OF LOAD BALANCING ============== 1467.45 LDB: ============== END OF LOAD BALANCING =============== 1467.45 LDB: =============== DONE WITH MIGRATION ================ 1467.45 LDB: ============= START OF LOAD BALANCING ============== 1467.84 LDB: ============== END OF LOAD BALANCING =============== 1467.84 LDB: =============== DONE WITH MIGRATION ================ 1467.84 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: 1465.53, 0.00392011/step Wall: 1465.53, 0.00392011/step, 2.32985 hours remaining, 111.082031 MB of memory in use. ENERGY: 360400 657.8915 1813.3263 1953.0157 99.3179 0.5759 -1058.3398 0.0000 0.0000 2770.8896 6236.6771 306.0525 3465.7875 6273.8666 298.8949 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: 1466.32, 0.0039208/step Wall: 1466.32, 0.0039208/step, 2.33004 hours remaining, 111.082031 MB of memory in use. ENERGY: 360600 636.5816 1840.3143 1984.5103 111.3165 0.9513 -1087.6807 0.0000 0.0000 2710.0986 6196.0920 299.3379 3485.9933 6228.1526 298.0878 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: 1467.1, 0.00392319/step Wall: 1467.1, 0.00392319/step, 2.33125 hours remaining, 111.082031 MB of memory in use. ENERGY: 360800 672.6019 1804.0722 1931.3136 98.5614 2.9475 -1030.6014 0.0000 0.0000 2720.7646 6199.6599 300.5160 3478.8952 6233.5406 299.7016 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: 1467.89, 0.00392161/step Wall: 1467.89, 0.00392161/step, 2.33009 hours remaining, 111.082031 MB of memory in use. ENERGY: 361000 684.3389 1860.8831 1977.8502 116.1700 1.6139 -1095.4892 0.0000 0.0000 2688.8604 6234.2273 296.9921 3545.3669 6266.5371 298.9597 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: 1468.67, 0.00392067/step Wall: 1468.67, 0.00392067/step, 2.32931 hours remaining, 111.082031 MB of memory in use. ENERGY: 361200 659.6328 1863.0943 1972.8587 104.1063 2.2297 -1023.4206 0.0000 0.0000 2735.0818 6313.5830 302.0974 3578.5012 6344.5259 301.8616 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: 1469.45, 0.00391806/step Wall: 1469.45, 0.00391806/step, 2.32754 hours remaining, 111.082031 MB of memory in use. ENERGY: 361400 658.1000 1874.4744 1953.2405 108.4091 0.4238 -1102.8706 0.0000 0.0000 2803.0072 6294.7843 309.6000 3491.7771 6330.4719 304.1355 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: 1470.24, 0.00391976/step Wall: 1470.24, 0.00391976/step, 2.32834 hours remaining, 111.082031 MB of memory in use. ENERGY: 361600 662.9210 1905.0383 1983.0794 112.9810 1.1248 -1102.0159 0.0000 0.0000 2737.9434 6301.0720 302.4135 3563.1286 6332.9788 303.9488 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: 1471.02, 0.00392404/step Wall: 1471.02, 0.00392404/step, 2.33066 hours remaining, 111.082031 MB of memory in use. ENERGY: 361800 667.6967 1881.8237 1996.5223 115.6640 0.8704 -1065.5628 0.0000 0.0000 2737.7965 6334.8108 302.3973 3597.0143 6367.8216 305.2436 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: 1471.81, 0.00392302/step Wall: 1471.81, 0.00392302/step, 2.32984 hours remaining, 111.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 362000 670.9826 1838.9596 1974.5548 107.9524 1.5801 -1059.5357 0.0000 0.0000 2744.6989 6279.1927 303.1596 3534.4938 6311.8154 303.9144 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: 1472.59, 0.00391419/step Wall: 1472.59, 0.00391419/step, 2.32437 hours remaining, 111.082031 MB of memory in use. ENERGY: 362200 621.5596 1859.3361 1964.2865 113.1566 1.3365 -1056.5884 0.0000 0.0000 2718.5328 6221.6197 300.2695 3503.0869 6253.1890 300.2431 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: 1473.37, 0.00392084/step Wall: 1473.37, 0.00392084/step, 2.32811 hours remaining, 111.082031 MB of memory in use. ENERGY: 362400 652.9307 1814.4244 1961.6270 115.0173 1.2620 -1077.9087 0.0000 0.0000 2753.0604 6220.4131 304.0832 3467.3527 6254.0544 300.0492 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: 1474.16, 0.0039207/step Wall: 1474.16, 0.00392069/step, 2.3278 hours remaining, 111.082031 MB of memory in use. ENERGY: 362600 649.6308 1869.8704 1951.6847 113.3997 1.6906 -1051.1068 0.0000 0.0000 2650.3575 6185.5268 292.7394 3535.1693 6217.5603 297.8364 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: 1474.94, 0.00392094/step Wall: 1474.94, 0.00392095/step, 2.32774 hours remaining, 111.082031 MB of memory in use. ENERGY: 362800 657.3577 1856.9744 1953.4306 117.5627 1.7371 -1064.6888 0.0000 0.0000 2661.2692 6183.6428 293.9446 3522.3736 6211.5023 298.3167 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: 1475.73, 0.00392208/step Wall: 1475.73, 0.00392208/step, 2.32819 hours remaining, 111.082031 MB of memory in use. ENERGY: 363000 650.4904 1828.1898 1955.4043 103.2120 1.5218 -1078.7388 0.0000 0.0000 2710.7450 6170.8245 299.4093 3460.0795 6203.1647 297.8495 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: 1476.51, 0.00391591/step Wall: 1476.51, 0.00391591/step, 2.32431 hours remaining, 111.082031 MB of memory in use. ENERGY: 363200 671.2462 1851.6944 1954.4037 96.7944 1.7918 -1072.7564 0.0000 0.0000 2649.4096 6152.5836 292.6347 3503.1741 6182.4646 297.1288 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: 1477.3, 0.00392842/step Wall: 1477.3, 0.00392842/step, 2.33152 hours remaining, 111.082031 MB of memory in use. ENERGY: 363400 663.3085 1783.3662 1969.6875 116.6836 3.0046 -1098.3078 0.0000 0.0000 2718.9045 6156.6472 300.3106 3437.7427 6190.9234 297.0860 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: 1478.08, 0.00392035/step Wall: 1478.08, 0.00392035/step, 2.32651 hours remaining, 111.082031 MB of memory in use. ENERGY: 363600 669.4601 1826.4072 1952.8702 109.6350 3.2954 -1074.8975 0.0000 0.0000 2700.7834 6187.5539 298.3091 3486.7705 6218.8434 299.1591 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: 1478.86, 0.00392041/step Wall: 1478.86, 0.00392041/step, 2.32633 hours remaining, 111.082031 MB of memory in use. ENERGY: 363800 668.0141 1812.8833 1937.7716 108.5582 2.2704 -1060.3130 0.0000 0.0000 2709.9470 6179.1316 299.3212 3469.1846 6211.2682 297.3719 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: 1479.65, 0.00391599/step Wall: 1479.65, 0.00391599/step, 2.32349 hours remaining, 111.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 364000 683.4420 1868.1139 1938.9827 112.8514 1.6723 -1066.8223 0.0000 0.0000 2693.3282 6231.5683 297.4856 3538.2401 6260.7398 300.6073 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: 1480.43, 0.00392172/step Wall: 1480.43, 0.00392172/step, 2.32667 hours remaining, 111.082031 MB of memory in use. ENERGY: 364200 659.8088 1800.0934 1967.2337 114.7318 1.6634 -1120.2384 0.0000 0.0000 2766.2535 6189.5461 305.5404 3423.2926 6225.1197 300.3213 LDB: ============= START OF LOAD BALANCING ============== 1483.13 LDB: ============== END OF LOAD BALANCING =============== 1483.13 LDB: =============== DONE WITH MIGRATION ================ 1483.13 LDB: ============= START OF LOAD BALANCING ============== 1483.52 LDB: ============== END OF LOAD BALANCING =============== 1483.52 LDB: =============== DONE WITH MIGRATION ================ 1483.53 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: 1481.22, 0.0039251/step Wall: 1481.22, 0.0039251/step, 2.32846 hours remaining, 111.082031 MB of memory in use. ENERGY: 364400 661.1122 1834.6813 1924.5429 102.1688 4.3004 -1057.7858 0.0000 0.0000 2730.9990 6200.0188 301.6465 3469.0198 6234.9712 298.8726 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: 1482, 0.00392254/step Wall: 1482, 0.00392254/step, 2.32672 hours remaining, 111.082031 MB of memory in use. ENERGY: 364600 673.0705 1857.6646 1927.0834 103.9163 2.6685 -1074.6197 0.0000 0.0000 2674.9289 6164.7125 295.4533 3489.7836 6197.8845 297.2932 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: 1482.79, 0.00392288/step Wall: 1482.79, 0.00392287/step, 2.3267 hours remaining, 111.082031 MB of memory in use. ENERGY: 364800 683.4916 1856.4932 1950.2308 104.1551 2.8356 -1085.3371 0.0000 0.0000 2675.0355 6186.9047 295.4651 3511.8691 6218.9287 297.4744 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: 1483.57, 0.00391601/step Wall: 1483.57, 0.00391602/step, 2.32242 hours remaining, 111.082031 MB of memory in use. ENERGY: 365000 614.0888 1826.2380 1954.5472 109.2956 2.4686 -1050.4338 0.0000 0.0000 2709.0064 6165.2108 299.2173 3456.2044 6198.2927 297.6496 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: 1484.35, 0.00392222/step Wall: 1484.35, 0.00392222/step, 2.32587 hours remaining, 111.082031 MB of memory in use. ENERGY: 365200 640.6196 1832.0548 1976.3101 115.6222 2.6317 -1052.7005 0.0000 0.0000 2645.9337 6160.4716 292.2508 3514.5379 6192.7100 296.5032 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: 1485.14, 0.00392213/step Wall: 1485.14, 0.00392213/step, 2.32561 hours remaining, 111.082031 MB of memory in use. ENERGY: 365400 647.5516 1820.3891 1981.6645 107.4558 2.1510 -1035.5902 0.0000 0.0000 2695.3222 6218.9440 297.7058 3523.6218 6250.5636 296.7392 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: 1485.92, 0.003923/step Wall: 1485.92, 0.003923/step, 2.3259 hours remaining, 111.082031 MB of memory in use. ENERGY: 365600 666.3868 1777.8451 1979.6964 109.9009 2.3458 -1085.9469 0.0000 0.0000 2691.4674 6141.6955 297.2801 3450.2281 6174.6952 297.9924 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: 1486.71, 0.00391647/step Wall: 1486.71, 0.00391647/step, 2.32181 hours remaining, 111.082031 MB of memory in use. ENERGY: 365800 674.0851 1822.5084 1961.1378 109.5762 2.4864 -1069.6244 0.0000 0.0000 2601.1044 6101.2741 287.2992 3500.1696 6128.0755 295.9979 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: 1487.49, 0.00392175/step Wall: 1487.49, 0.00392175/step, 2.32473 hours remaining, 111.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 366000 659.2170 1851.8407 1955.4046 107.9240 1.4298 -1108.5477 0.0000 0.0000 2717.8684 6185.1369 300.1961 3467.2685 6215.3099 296.8090 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: 1488.27, 0.0039213/step Wall: 1488.27, 0.0039213/step, 2.32424 hours remaining, 111.082031 MB of memory in use. ENERGY: 366200 658.1004 1835.9421 1943.8938 105.4757 1.1052 -1048.5318 0.0000 0.0000 2690.2396 6186.2249 297.1445 3495.9853 6219.1835 297.8516 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: 1489.06, 0.00392373/step Wall: 1489.06, 0.00392373/step, 2.32546 hours remaining, 111.082031 MB of memory in use. ENERGY: 366400 635.1993 1860.4795 1945.6440 102.8537 2.1189 -1086.8129 0.0000 0.0000 2731.4557 6190.9384 301.6969 3459.4827 6224.7165 297.0830 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: 1489.84, 0.00392403/step Wall: 1489.84, 0.00392403/step, 2.32543 hours remaining, 111.082031 MB of memory in use. ENERGY: 366600 650.6734 1812.5256 1953.9793 101.9485 1.5542 -1097.0121 0.0000 0.0000 2745.1945 6168.8634 303.2144 3423.6689 6201.9311 297.0394 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: 1490.63, 0.00391568/step Wall: 1490.63, 0.00391568/step, 2.32026 hours remaining, 111.082031 MB of memory in use. ENERGY: 366800 624.4237 1837.2486 1949.0406 109.0441 2.9570 -1061.0759 0.0000 0.0000 2716.2349 6177.8731 300.0157 3461.6382 6211.9016 297.1601 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: 1491.41, 0.00392195/step Wall: 1491.41, 0.00392195/step, 2.32375 hours remaining, 111.082031 MB of memory in use. ENERGY: 367000 639.6585 1874.0161 1923.4044 105.9133 2.7191 -1063.4750 0.0000 0.0000 2719.6170 6201.8534 300.3893 3482.2364 6236.5140 298.3355 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: 1492.2, 0.00392313/step Wall: 1492.2, 0.00392313/step, 2.32424 hours remaining, 111.082031 MB of memory in use. ENERGY: 367200 650.8278 1876.0925 1930.3584 96.7424 3.7061 -1068.8463 0.0000 0.0000 2676.5752 6165.4560 295.6352 3488.8808 6195.9919 296.7853 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: 1492.98, 0.00392351/step Wall: 1492.98, 0.00392351/step, 2.32424 hours remaining, 111.082031 MB of memory in use. ENERGY: 367400 664.0688 1803.1249 1958.9171 96.6881 3.1304 -1091.0307 0.0000 0.0000 2721.4049 6156.3036 300.5868 3434.8987 6190.1680 295.4932 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: 1493.76, 0.00392218/step Wall: 1493.76, 0.00392218/step, 2.32324 hours remaining, 111.082031 MB of memory in use. ENERGY: 367600 676.0766 1835.3310 1951.3151 118.8210 3.6198 -1104.1135 0.0000 0.0000 2687.6688 6168.7187 296.8605 3481.0499 6202.7346 295.4526 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: 1494.55, 0.00391693/step Wall: 1494.55, 0.00391693/step, 2.31991 hours remaining, 111.082031 MB of memory in use. ENERGY: 367800 649.9034 1827.8181 1938.7958 99.8286 3.2216 -1094.8062 0.0000 0.0000 2762.3364 6187.0976 305.1077 3424.7613 6220.8010 297.4258 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: 1495.33, 0.00392318/step Wall: 1495.33, 0.00392318/step, 2.32339 hours remaining, 111.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 368000 652.4867 1811.3708 1965.7830 112.8483 2.3781 -1084.7356 0.0000 0.0000 2706.0762 6166.2075 298.8937 3460.1313 6197.3726 299.4034 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: 1496.12, 0.00392273/step Wall: 1496.12, 0.00392273/step, 2.32291 hours remaining, 111.082031 MB of memory in use. ENERGY: 368200 631.7344 1886.9335 1964.7594 114.2920 2.2791 -1074.3722 0.0000 0.0000 2634.3341 6159.9603 290.9695 3525.6262 6191.2596 298.9898 LDB: ============= START OF LOAD BALANCING ============== 1498.82 LDB: ============== END OF LOAD BALANCING =============== 1498.82 LDB: =============== DONE WITH MIGRATION ================ 1498.82 LDB: ============= START OF LOAD BALANCING ============== 1499.21 LDB: ============== END OF LOAD BALANCING =============== 1499.21 LDB: =============== DONE WITH MIGRATION ================ 1499.21 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: 1496.9, 0.00392877/step Wall: 1496.9, 0.00392877/step, 2.32627 hours remaining, 111.082031 MB of memory in use. ENERGY: 368400 627.7470 1853.0656 1953.4148 103.3599 2.9276 -1067.8586 0.0000 0.0000 2710.3681 6183.0245 299.3677 3472.6564 6213.6713 296.7311 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: 1497.69, 0.00391703/step Wall: 1497.69, 0.00391703/step, 2.3191 hours remaining, 111.082031 MB of memory in use. ENERGY: 368600 634.1303 1871.8486 1970.0606 96.1219 2.8453 -1093.1062 0.0000 0.0000 2702.8562 6184.7568 298.5380 3481.9006 6218.2656 299.6425 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: 1498.47, 0.00392763/step Wall: 1498.47, 0.00392762/step, 2.32515 hours remaining, 111.082031 MB of memory in use. ENERGY: 368800 672.7977 1842.5735 1967.0136 99.7226 1.4786 -1062.9321 0.0000 0.0000 2660.6534 6181.3074 293.8766 3520.6540 6213.6239 299.0019 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: 1499.26, 0.00392228/step Wall: 1499.26, 0.00392229/step, 2.32178 hours remaining, 111.082031 MB of memory in use. ENERGY: 369000 655.8860 1829.3676 1939.9096 94.9885 0.7064 -1084.1407 0.0000 0.0000 2725.0494 6161.7670 300.9893 3436.7176 6196.9979 296.1357 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: 1500.04, 0.003923/step Wall: 1500.04, 0.003923/step, 2.32198 hours remaining, 111.082031 MB of memory in use. ENERGY: 369200 682.2291 1809.9518 1939.3806 97.7555 1.6928 -1074.4608 0.0000 0.0000 2741.3950 6197.9441 302.7947 3456.5491 6231.9776 298.8267 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: 1500.83, 0.00392368/step Wall: 1500.83, 0.00392368/step, 2.32216 hours remaining, 111.082031 MB of memory in use. ENERGY: 369400 655.2833 1857.1977 1959.4215 116.0750 0.9891 -1103.6689 0.0000 0.0000 2689.0218 6174.3195 297.0099 3485.2977 6209.7200 298.9635 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: 1501.61, 0.00392595/step Wall: 1501.61, 0.00392595/step, 2.32329 hours remaining, 111.082031 MB of memory in use. ENERGY: 369600 635.0884 1841.7159 1950.7591 119.4894 2.8775 -1084.8439 0.0000 0.0000 2671.1692 6136.2556 295.0381 3465.0864 6165.0812 296.7754 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: 1502.4, 0.00392687/step Wall: 1502.4, 0.00392687/step, 2.32362 hours remaining, 111.082031 MB of memory in use. ENERGY: 369800 651.4443 1832.7218 1960.4596 109.8632 3.0933 -1057.7820 0.0000 0.0000 2687.7142 6187.5144 296.8655 3499.8002 6219.4312 298.6099 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: 1503.18, 0.00392612/step Wall: 1503.18, 0.00392612/step, 2.32295 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: 370000 621.5599 1812.8386 1954.8957 93.5202 2.7774 -1050.9137 0.0000 0.0000 2710.6725 6145.3505 299.4013 3434.6780 6181.9837 295.2505 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 370000 WRITING COORDINATES TO DCD FILE MD.1.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: 1504.01, 0.00411873/step Wall: 1504.01, 0.00411873/step, 2.43668 hours remaining, 111.199219 MB of memory in use. ENERGY: 370200 674.0864 1831.4697 1942.4613 95.1466 3.6551 -1081.6852 0.0000 0.0000 2638.9470 6104.0808 291.4791 3465.1338 6135.6642 294.6935 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: 1504.79, 0.00392502/step Wall: 1504.79, 0.00392502/step, 2.32187 hours remaining, 111.199219 MB of memory in use. ENERGY: 370400 634.2888 1854.6613 1942.9858 101.3728 2.2465 -1063.3493 0.0000 0.0000 2654.7864 6126.9924 293.2286 3472.2060 6160.0751 295.9727 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: 1505.57, 0.0039222/step Wall: 1505.57, 0.0039222/step, 2.31998 hours remaining, 111.199219 MB of memory in use. ENERGY: 370600 666.2060 1827.3359 1990.3847 104.4921 2.2551 -1103.3731 0.0000 0.0000 2639.7251 6127.0259 291.5650 3487.3007 6159.0243 296.0179 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: 1506.36, 0.00392495/step Wall: 1506.36, 0.00392495/step, 2.32139 hours remaining, 111.199219 MB of memory in use. ENERGY: 370800 666.2788 1885.9726 1927.5422 117.1494 3.2805 -1125.0473 0.0000 0.0000 2641.3079 6116.4841 291.7398 3475.1762 6147.2860 295.9730 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: 1507.14, 0.00392185/step Wall: 1507.14, 0.00392185/step, 2.31934 hours remaining, 111.199219 MB of memory in use. ENERGY: 371000 684.4068 1833.1440 1934.9237 104.5216 2.6248 -1110.5938 0.0000 0.0000 2685.3895 6134.4166 296.6087 3449.0271 6167.7873 296.3840 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: 1507.93, 0.0039217/step Wall: 1507.93, 0.0039217/step, 2.31903 hours remaining, 111.199219 MB of memory in use. ENERGY: 371200 635.9645 1872.7826 1961.0435 100.7811 2.8785 -1089.2707 0.0000 0.0000 2640.9286 6125.1080 291.6979 3484.1794 6157.5842 297.2026 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: 1508.71, 0.00391672/step Wall: 1508.71, 0.00391672/step, 2.31587 hours remaining, 111.199219 MB of memory in use. ENERGY: 371400 653.8320 1828.4245 1943.1911 107.4625 3.5970 -1076.3126 0.0000 0.0000 2664.4659 6124.6604 294.2977 3460.1944 6156.6514 294.0292 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: 1509.5, 0.00392149/step Wall: 1509.5, 0.00392149/step, 2.31847 hours remaining, 111.199219 MB of memory in use. ENERGY: 371600 695.4062 1811.5048 1961.8207 110.9372 2.6719 -1082.3815 0.0000 0.0000 2650.7690 6150.7283 292.7848 3499.9593 6183.0138 294.3043 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: 1510.28, 0.00392141/step Wall: 1510.28, 0.00392141/step, 2.3182 hours remaining, 111.199219 MB of memory in use. ENERGY: 371800 639.7095 1872.3243 1974.8606 111.6799 3.7246 -1084.7683 0.0000 0.0000 2695.7207 6213.2514 297.7499 3517.5307 6243.5482 298.6562 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: 1511.06, 0.0039222/step Wall: 1511.06, 0.0039222/step, 2.31846 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: 372000 683.3080 1881.0450 1948.2057 108.5536 2.5286 -1091.9713 0.0000 0.0000 2698.0040 6229.6736 298.0021 3531.6696 6262.3985 299.7840 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: 1511.85, 0.00392203/step Wall: 1511.85, 0.00392203/step, 2.31814 hours remaining, 111.199219 MB of memory in use. ENERGY: 372200 647.3311 1835.8902 1961.1308 99.1439 2.4244 -1063.4444 0.0000 0.0000 2698.0260 6180.5019 298.0045 3482.4759 6216.2171 298.1719 LDB: ============= START OF LOAD BALANCING ============== 1514.55 LDB: ============== END OF LOAD BALANCING =============== 1514.55 LDB: =============== DONE WITH MIGRATION ================ 1514.55 LDB: ============= START OF LOAD BALANCING ============== 1514.94 LDB: ============== END OF LOAD BALANCING =============== 1514.94 LDB: =============== DONE WITH MIGRATION ================ 1514.94 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: 1512.63, 0.0039205/step Wall: 1512.63, 0.0039205/step, 2.31702 hours remaining, 111.199219 MB of memory in use. ENERGY: 372400 678.5131 1852.7709 1960.3539 96.2627 1.8089 -1107.9954 0.0000 0.0000 2681.2575 6162.9716 296.1524 3481.7141 6195.3081 299.0232 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: 1513.42, 0.00392185/step Wall: 1513.42, 0.00392185/step, 2.3176 hours remaining, 111.199219 MB of memory in use. ENERGY: 372600 652.2594 1859.7479 1972.7347 115.3233 2.6787 -1101.2252 0.0000 0.0000 2717.3746 6218.8935 300.1416 3501.5189 6251.7232 299.4901 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: 1514.2, 0.00392116/step Wall: 1514.2, 0.00392116/step, 2.31697 hours remaining, 111.199219 MB of memory in use. ENERGY: 372800 634.0421 1908.0758 1964.2698 105.0879 1.7472 -1078.7902 0.0000 0.0000 2752.2795 6286.7121 303.9969 3534.4326 6320.4799 302.7982 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: 1514.99, 0.00392359/step Wall: 1514.99, 0.00392359/step, 2.31819 hours remaining, 111.199219 MB of memory in use. ENERGY: 373000 670.2707 1901.0550 1980.3742 101.2963 2.6438 -1084.6657 0.0000 0.0000 2740.7796 6311.7541 302.7267 3570.9745 6344.7687 304.1050 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: 1515.77, 0.00392374/step Wall: 1515.77, 0.00392374/step, 2.31806 hours remaining, 111.199219 MB of memory in use. ENERGY: 373200 659.2998 1853.2654 1958.7542 108.5682 2.0466 -1092.5532 0.0000 0.0000 2787.9767 6277.3578 307.9398 3489.3811 6314.1536 304.9564 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: 1516.55, 0.00391773/step Wall: 1516.55, 0.00391773/step, 2.31429 hours remaining, 111.199219 MB of memory in use. ENERGY: 373400 665.4047 1864.8810 1979.9748 102.0285 2.4838 -1072.4510 0.0000 0.0000 2731.5888 6273.9105 301.7116 3542.3218 6304.1921 303.7995 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: 1517.34, 0.00392787/step Wall: 1517.34, 0.00392787/step, 2.32006 hours remaining, 111.199219 MB of memory in use. ENERGY: 373600 646.3422 1850.4190 1979.8036 102.2678 1.1836 -1060.3671 0.0000 0.0000 2747.5423 6267.1913 303.4737 3519.6491 6300.2860 303.1504 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: 1518.12, 0.00392223/step Wall: 1518.12, 0.00392223/step, 2.31651 hours remaining, 111.199219 MB of memory in use. ENERGY: 373800 658.9409 1865.7130 1977.8082 112.4416 2.5176 -1062.7747 0.0000 0.0000 2699.7606 6254.4071 298.1961 3554.6465 6283.2883 303.5330 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: 1518.91, 0.00392411/step Wall: 1518.91, 0.00392411/step, 2.31741 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: 374000 657.9993 1859.1358 1977.6797 122.8099 2.8224 -1091.2536 0.0000 0.0000 2683.4174 6212.6109 296.3909 3529.1934 6243.9924 300.4245 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: 1519.69, 0.00391553/step Wall: 1519.69, 0.00391553/step, 2.31212 hours remaining, 111.199219 MB of memory in use. ENERGY: 374200 616.8317 1855.7571 2008.5855 113.4647 2.5164 -1088.2297 0.0000 0.0000 2694.9506 6203.8764 297.6648 3508.9257 6237.2829 300.1235 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: 1520.48, 0.00392347/step Wall: 1520.48, 0.00392347/step, 2.31659 hours remaining, 111.199219 MB of memory in use. ENERGY: 374400 642.9850 1859.8397 1934.0951 108.8577 1.6257 -1089.2028 0.0000 0.0000 2771.7541 6229.9546 306.1480 3458.2005 6263.9242 302.0025 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: 1521.26, 0.00392245/step Wall: 1521.26, 0.00392245/step, 2.31577 hours remaining, 111.199219 MB of memory in use. ENERGY: 374600 685.2905 1877.5452 1967.0955 101.9738 0.8966 -1091.5583 0.0000 0.0000 2711.6712 6252.9146 299.5116 3541.2433 6284.2995 303.1834 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: 1522.05, 0.00392305/step Wall: 1522.05, 0.00392305/step, 2.31591 hours remaining, 111.199219 MB of memory in use. ENERGY: 374800 703.9665 1874.5249 1976.2541 117.1775 0.5450 -1086.8595 0.0000 0.0000 2747.6931 6333.3017 303.4904 3585.6085 6364.8769 304.1455 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: 1522.83, 0.00392343/step Wall: 1522.83, 0.00392343/step, 2.31591 hours remaining, 111.199219 MB of memory in use. ENERGY: 375000 668.0554 1895.4685 1946.7528 113.5223 2.1756 -1049.5701 0.0000 0.0000 2726.0160 6302.4205 301.0961 3576.4045 6333.4172 305.4049 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: 1523.61, 0.00391612/step Wall: 1523.61, 0.00391612/step, 2.31138 hours remaining, 111.199219 MB of memory in use. ENERGY: 375200 647.3430 1877.8171 1993.6280 123.7680 2.2227 -1041.3650 0.0000 0.0000 2741.1462 6344.5600 302.7672 3603.4138 6380.8573 304.6644 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: 1524.4, 0.00392238/step Wall: 1524.4, 0.00392238/step, 2.31486 hours remaining, 111.199219 MB of memory in use. ENERGY: 375400 665.3438 1834.6155 1978.5161 110.3912 2.6483 -1060.7822 0.0000 0.0000 2762.3828 6293.1154 305.1129 3530.7326 6328.3280 305.7146 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: 1525.18, 0.00392107/step Wall: 1525.18, 0.00392107/step, 2.31387 hours remaining, 111.199219 MB of memory in use. ENERGY: 375600 603.9178 1909.2021 1969.2824 133.3105 2.5283 -1047.3980 0.0000 0.0000 2722.3500 6293.1931 300.6911 3570.8431 6324.6957 301.9111 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: 1525.97, 0.00392136/step Wall: 1525.97, 0.00392136/step, 2.31382 hours remaining, 111.199219 MB of memory in use. ENERGY: 375800 636.0675 1858.3635 1976.7959 104.3459 2.4380 -1073.6759 0.0000 0.0000 2736.9767 6241.3116 302.3067 3504.3348 6274.1316 301.4344 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: 1526.75, 0.00391322/step Wall: 1526.75, 0.00391322/step, 2.3088 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: 376000 630.2049 1829.1668 1958.2976 97.2333 2.1553 -1066.4035 0.0000 0.0000 2715.4559 6166.1103 299.9297 3450.6543 6199.7908 300.2639 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: 1527.53, 0.00392105/step Wall: 1527.53, 0.00392105/step, 2.3132 hours remaining, 111.199219 MB of memory in use. ENERGY: 376200 637.9337 1813.6307 1964.6550 102.1546 2.6274 -1079.0254 0.0000 0.0000 2744.2855 6186.2614 303.1140 3441.9759 6220.5855 298.4593 LDB: ============= START OF LOAD BALANCING ============== 1530.24 LDB: ============== END OF LOAD BALANCING =============== 1530.24 LDB: =============== DONE WITH MIGRATION ================ 1530.24 LDB: ============= START OF LOAD BALANCING ============== 1530.63 LDB: ============== END OF LOAD BALANCING =============== 1530.63 LDB: =============== DONE WITH MIGRATION ================ 1530.63 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: 1528.32, 0.00392529/step Wall: 1528.32, 0.00392529/step, 2.31548 hours remaining, 111.199219 MB of memory in use. ENERGY: 376400 640.5457 1869.3861 1979.7560 104.3041 3.4814 -1086.1251 0.0000 0.0000 2700.4224 6211.7706 298.2692 3511.3482 6242.9527 300.2725 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: 1529.1, 0.00392193/step Wall: 1529.1, 0.00392193/step, 2.31328 hours remaining, 111.199219 MB of memory in use. ENERGY: 376600 662.9729 1812.2771 1924.7015 101.6670 2.2093 -1074.9666 0.0000 0.0000 2750.2787 6179.1400 303.7759 3428.8613 6214.3950 298.6468 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: 1529.89, 0.00392235/step Wall: 1529.89, 0.00392235/step, 2.31331 hours remaining, 111.199219 MB of memory in use. ENERGY: 376800 645.2311 1807.2265 1976.2572 110.5517 2.5458 -1093.4969 0.0000 0.0000 2687.1475 6135.4629 296.8029 3448.3155 6165.7515 296.5638 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: 1530.67, 0.00391564/step Wall: 1530.67, 0.00391564/step, 2.30914 hours remaining, 111.199219 MB of memory in use. ENERGY: 377000 647.2857 1789.2781 1938.7464 108.9817 2.9229 -1066.7923 0.0000 0.0000 2703.9917 6124.4141 298.6634 3420.4225 6158.5095 295.8141 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: 1531.46, 0.00392166/step Wall: 1531.46, 0.00392166/step, 2.31247 hours remaining, 111.199219 MB of memory in use. ENERGY: 377200 636.2115 1855.9290 1970.5860 110.8220 2.8748 -1099.4853 0.0000 0.0000 2668.4241 6145.3621 294.7349 3476.9380 6178.0498 296.3110 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: 1532.24, 0.00392012/step Wall: 1532.24, 0.00392012/step, 2.31135 hours remaining, 111.199219 MB of memory in use. ENERGY: 377400 646.1922 1841.8982 1938.6681 110.2830 1.1894 -1073.7438 0.0000 0.0000 2743.0651 6207.5522 302.9792 3464.4871 6241.7275 298.6906 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: 1533.02, 0.00392128/step Wall: 1533.02, 0.00392128/step, 2.31181 hours remaining, 111.199219 MB of memory in use. ENERGY: 377600 655.3735 1868.4907 1971.5774 112.1131 3.7707 -1084.3304 0.0000 0.0000 2722.4314 6249.4265 300.7001 3526.9951 6282.0155 301.3694 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: 1533.81, 0.00392157/step Wall: 1533.81, 0.00392157/step, 2.31177 hours remaining, 111.199219 MB of memory in use. ENERGY: 377800 661.7483 1827.1906 1971.5036 107.0316 4.2708 -1065.5922 0.0000 0.0000 2728.8090 6234.9617 301.4046 3506.1527 6268.7831 300.0976 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: 1534.59, 0.00391443/step Wall: 1534.59, 0.00391443/step, 2.30734 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: 378000 666.2648 1850.7632 1961.2034 102.3291 3.2731 -1060.3583 0.0000 0.0000 2712.1518 6235.6272 299.5647 3523.4753 6265.8123 300.8391 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: 1535.38, 0.00392158/step Wall: 1535.38, 0.00392158/step, 2.31134 hours remaining, 111.199219 MB of memory in use. ENERGY: 378200 642.4894 1884.7018 1955.9686 103.3567 3.6319 -1084.3531 0.0000 0.0000 2728.3067 6234.1020 301.3491 3505.7954 6266.5346 301.5711 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: 1536.16, 0.00391929/step Wall: 1536.16, 0.00391929/step, 2.30977 hours remaining, 111.199219 MB of memory in use. ENERGY: 378400 644.2096 1867.6480 1953.7628 103.3418 2.9982 -1075.7714 0.0000 0.0000 2766.6309 6262.8198 305.5821 3496.1888 6295.5356 300.9772 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: 1536.94, 0.00392072/step Wall: 1536.94, 0.00392072/step, 2.31039 hours remaining, 111.199219 MB of memory in use. ENERGY: 378600 646.4226 1877.9678 1950.6967 108.6215 1.8732 -1057.1689 0.0000 0.0000 2738.7060 6267.1190 302.4977 3528.4130 6300.5687 303.5183 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: 1537.73, 0.00391468/step Wall: 1537.73, 0.00391468/step, 2.30662 hours remaining, 111.199219 MB of memory in use. ENERGY: 378800 642.9165 1855.3445 1970.9948 109.7751 0.9936 -1089.4446 0.0000 0.0000 2770.1956 6260.7756 305.9758 3490.5800 6297.3245 304.6245 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: 1538.51, 0.0039221/step Wall: 1538.51, 0.0039221/step, 2.31077 hours remaining, 111.199219 MB of memory in use. ENERGY: 379000 657.6380 1830.8574 1931.4346 107.5695 2.0984 -1069.3979 0.0000 0.0000 2759.3846 6219.5846 304.7817 3460.2000 6251.1118 302.2441 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: 1539.29, 0.00392018/step Wall: 1539.29, 0.00392018/step, 2.30942 hours remaining, 111.199219 MB of memory in use. ENERGY: 379200 661.6410 1835.0865 1978.0336 103.0207 1.3950 -1070.1560 0.0000 0.0000 2724.0081 6233.0289 300.8743 3509.0208 6267.2900 301.3687 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: 1540.08, 0.00392059/step Wall: 1540.08, 0.00392059/step, 2.30945 hours remaining, 111.199219 MB of memory in use. ENERGY: 379400 683.2819 1821.0024 1959.3521 96.0216 0.7853 -1070.6160 0.0000 0.0000 2687.8239 6177.6513 296.8776 3489.8274 6208.3729 300.2261 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: 1540.86, 0.00392164/step Wall: 1540.86, 0.00392164/step, 2.30985 hours remaining, 111.199219 MB of memory in use. ENERGY: 379600 652.6901 1780.3126 1961.1500 109.6510 2.6140 -1089.6828 0.0000 0.0000 2648.6998 6065.4346 292.5563 3416.7348 6098.0909 295.4797 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: 1541.65, 0.00391355/step Wall: 1541.65, 0.00391355/step, 2.30486 hours remaining, 111.199219 MB of memory in use. ENERGY: 379800 663.1626 1847.2946 1945.3541 108.8559 2.7828 -1079.2341 0.0000 0.0000 2613.2973 6101.5131 288.6460 3488.2158 6133.1478 291.5768 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: 1542.43, 0.00392419/step Wall: 1542.43, 0.00392419/step, 2.31091 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: 380000 652.9458 1808.5460 1947.5059 100.1863 3.0131 -1060.8058 0.0000 0.0000 2647.1868 6098.5782 292.3892 3451.3913 6128.7551 294.1277 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 380000 WRITING COORDINATES TO DCD FILE MD.1.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: 1547.86, 0.0271441/step Wall: 1547.86, 0.0271441/step, 15.9833 hours remaining, 111.199219 MB of memory in use. ENERGY: 380200 657.0579 1833.0436 1948.2008 102.2326 1.2361 -1072.8837 0.0000 0.0000 2615.9547 6084.8419 288.9395 3468.8873 6117.1956 292.7403 LDB: ============= START OF LOAD BALANCING ============== 1550.56 LDB: ============== END OF LOAD BALANCING =============== 1550.56 LDB: =============== DONE WITH MIGRATION ================ 1550.56 LDB: ============= START OF LOAD BALANCING ============== 1550.95 LDB: ============== END OF LOAD BALANCING =============== 1550.95 LDB: =============== DONE WITH MIGRATION ================ 1550.95 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: 1548.64, 0.00392005/step Wall: 1548.64, 0.00392005/step, 2.30804 hours remaining, 111.199219 MB of memory in use. ENERGY: 380400 642.7534 1864.4325 1959.6299 108.6747 1.7054 -1097.6145 0.0000 0.0000 2640.2118 6119.7931 291.6187 3479.5813 6149.3587 295.3893 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: 1549.43, 0.00392157/step Wall: 1549.43, 0.00392157/step, 2.30872 hours remaining, 111.199219 MB of memory in use. ENERGY: 380600 629.7823 1800.4868 1953.0787 103.0568 1.6817 -1063.1556 0.0000 0.0000 2766.6492 6191.5799 305.5841 3424.9307 6224.0155 298.7643 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: 1550.21, 0.00391956/step Wall: 1550.21, 0.00391956/step, 2.30731 hours remaining, 111.199219 MB of memory in use. ENERGY: 380800 665.5122 1871.5411 1965.0844 118.7094 1.7767 -1065.5431 0.0000 0.0000 2649.1437 6206.2244 292.6053 3557.0807 6238.8958 300.7768 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: 1551, 0.00392237/step Wall: 1551, 0.00392237/step, 2.30875 hours remaining, 111.199219 MB of memory in use. ENERGY: 381000 629.2371 1900.7812 1936.6010 102.1784 2.0969 -1059.3688 0.0000 0.0000 2706.5538 6218.0795 298.9464 3511.5257 6250.0400 299.4278 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: 1551.78, 0.00391519/step Wall: 1551.78, 0.00391519/step, 2.30431 hours remaining, 111.199219 MB of memory in use. ENERGY: 381200 656.3097 1812.6520 1962.7955 99.9403 2.8618 -1066.7090 0.0000 0.0000 2733.6028 6201.4531 301.9340 3467.8503 6236.6016 300.9152 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: 1552.56, 0.00392164/step Wall: 1552.56, 0.00392164/step, 2.30789 hours remaining, 111.199219 MB of memory in use. ENERGY: 381400 663.8086 1856.3140 1968.8278 106.4212 1.4898 -1062.7457 0.0000 0.0000 2641.9444 6176.0600 291.8101 3534.1156 6208.3351 299.3457 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: 1553.35, 0.00392217/step Wall: 1553.35, 0.00392217/step, 2.30798 hours remaining, 111.199219 MB of memory in use. ENERGY: 381600 683.1139 1838.2579 1971.2632 95.8732 2.2437 -1056.2539 0.0000 0.0000 2685.9380 6220.4361 296.6693 3534.4980 6251.1940 298.6761 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: 1554.13, 0.00391998/step Wall: 1554.13, 0.00391998/step, 2.30647 hours remaining, 111.199219 MB of memory in use. ENERGY: 381800 644.6130 1813.0513 1973.0625 118.7023 2.3746 -1104.5069 0.0000 0.0000 2794.4276 6241.7243 308.6523 3447.2968 6276.6986 301.7909 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: 1554.92, 0.00392076/step Wall: 1554.92, 0.00392075/step, 2.30671 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: 382000 671.1054 1862.5783 1988.5001 98.7827 1.1708 -1136.6202 0.0000 0.0000 2752.0517 6237.5687 303.9718 3485.5171 6273.2582 302.5794 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: 1555.7, 0.00391425/step Wall: 1555.7, 0.00391425/step, 2.30267 hours remaining, 111.199219 MB of memory in use. ENERGY: 382200 632.2199 1877.1995 1944.1209 106.8989 0.1425 -1080.6922 0.0000 0.0000 2718.6300 6198.5194 300.2803 3479.8894 6231.7242 299.1940 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: 1556.48, 0.00392/step Wall: 1556.48, 0.00392/step, 2.30583 hours remaining, 111.199219 MB of memory in use. ENERGY: 382400 621.0333 1854.1807 1972.0137 107.9763 -0.6737 -1050.3185 0.0000 0.0000 2716.0506 6220.2623 299.9953 3504.2118 6251.0320 299.4899 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: 1557.27, 0.0039254/step Wall: 1557.27, 0.0039254/step, 2.30879 hours remaining, 111.199219 MB of memory in use. ENERGY: 382600 640.4219 1857.9276 1965.4985 114.0805 1.2104 -1078.1751 0.0000 0.0000 2684.1340 6185.0979 296.4701 3500.9639 6219.1679 298.4638 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: 1558.05, 0.00392035/step Wall: 1558.05, 0.00392035/step, 2.3056 hours remaining, 111.199219 MB of memory in use. ENERGY: 382800 620.3220 1871.3323 1940.9181 109.4067 0.0765 -1091.2532 0.0000 0.0000 2762.9294 6213.7318 305.1732 3450.8024 6247.0631 298.9571 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: 1558.84, 0.00391714/step Wall: 1558.84, 0.00391714/step, 2.3035 hours remaining, 111.203125 MB of memory in use. ENERGY: 383000 662.5451 1855.2043 1974.5904 114.3839 0.7462 -1060.2330 0.0000 0.0000 2709.9880 6257.2249 299.3257 3547.2369 6290.1649 301.8312 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: 1559.62, 0.00392182/step Wall: 1559.62, 0.00392182/step, 2.30603 hours remaining, 111.203125 MB of memory in use. ENERGY: 383200 683.0581 1858.2213 1972.4356 101.4112 1.1235 -1097.2413 0.0000 0.0000 2697.0777 6216.0862 297.8997 3519.0085 6249.2518 300.7849 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: 1560.4, 0.00392166/step Wall: 1560.4, 0.00392166/step, 2.30572 hours remaining, 111.203125 MB of memory in use. ENERGY: 383400 680.4723 1892.5280 1978.3993 105.4121 1.3871 -1095.2846 0.0000 0.0000 2658.6202 6221.5344 293.6520 3562.9142 6253.3229 300.3954 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: 1561.19, 0.0039193/step Wall: 1561.19, 0.0039193/step, 2.30411 hours remaining, 111.203125 MB of memory in use. ENERGY: 383600 680.5395 1843.7320 1938.0292 105.2195 2.4460 -1062.1870 0.0000 0.0000 2715.7282 6223.5076 299.9597 3507.7793 6257.0873 299.5755 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: 1561.97, 0.00392123/step Wall: 1561.97, 0.00392123/step, 2.30503 hours remaining, 111.203125 MB of memory in use. ENERGY: 383800 645.3671 1865.2690 1931.6227 103.8926 2.5491 -1088.7756 0.0000 0.0000 2757.3036 6217.2286 304.5519 3459.9249 6256.3779 300.9848 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: 1562.76, 0.00391573/step Wall: 1562.76, 0.00391573/step, 2.30158 hours remaining, 111.203125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 384000 661.7300 1857.1889 1953.4990 101.5712 1.2846 -1091.5502 0.0000 0.0000 2737.6879 6221.4113 302.3852 3483.7234 6257.1886 301.7493 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: 1563.54, 0.00392145/step Wall: 1563.54, 0.00392145/step, 2.30472 hours remaining, 111.203125 MB of memory in use. ENERGY: 384200 658.7836 1814.6899 1932.4148 109.0433 1.1353 -1006.7834 0.0000 0.0000 2694.2637 6203.5471 297.5889 3509.2834 6237.4724 298.5416 LDB: ============= START OF LOAD BALANCING ============== 1566.24 LDB: ============== END OF LOAD BALANCING =============== 1566.24 LDB: =============== DONE WITH MIGRATION ================ 1566.24 LDB: ============= START OF LOAD BALANCING ============== 1566.63 LDB: ============== END OF LOAD BALANCING =============== 1566.63 LDB: =============== DONE WITH MIGRATION ================ 1566.63 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: 1564.32, 0.00392528/step Wall: 1564.32, 0.00392528/step, 2.30675 hours remaining, 111.203125 MB of memory in use. ENERGY: 384400 658.8765 1806.9111 1946.3032 111.2260 1.9072 -1071.8915 0.0000 0.0000 2752.8969 6206.2295 304.0651 3453.3325 6240.2000 296.6695 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: 1565.11, 0.0039314/step Wall: 1565.11, 0.0039314/step, 2.31013 hours remaining, 111.203125 MB of memory in use. ENERGY: 384600 646.2191 1845.8687 1967.6337 112.9945 2.3235 -1068.0227 0.0000 0.0000 2723.0588 6230.0756 300.7694 3507.0168 6262.4265 300.7187 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: 1565.9, 0.003925/step Wall: 1565.9, 0.003925/step, 2.30616 hours remaining, 111.207031 MB of memory in use. ENERGY: 384800 680.1972 1816.2634 1968.3791 108.3432 1.5562 -1038.3742 0.0000 0.0000 2678.7067 6215.0715 295.8706 3536.3648 6244.3944 300.1700 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: 1566.68, 0.00391881/step Wall: 1566.68, 0.00391881/step, 2.3023 hours remaining, 111.207031 MB of memory in use. ENERGY: 385000 683.6115 1839.9365 1912.5747 104.6902 1.2324 -1072.5629 0.0000 0.0000 2724.9813 6194.4637 300.9818 3469.4824 6228.2617 299.6741 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: 1567.46, 0.00392146/step Wall: 1567.46, 0.00392146/step, 2.30364 hours remaining, 111.207031 MB of memory in use. ENERGY: 385200 674.8523 1836.2762 1936.4009 104.7333 1.1448 -1062.8427 0.0000 0.0000 2722.9181 6213.4828 300.7539 3490.5647 6249.2068 299.0569 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: 1568.25, 0.00392205/step Wall: 1568.25, 0.00392205/step, 2.30377 hours remaining, 111.207031 MB of memory in use. ENERGY: 385400 635.4511 1829.8632 1959.9591 106.0247 1.1308 -1049.6645 0.0000 0.0000 2738.3962 6221.1606 302.4635 3482.7643 6253.6227 298.7950 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: 1569.03, 0.00392179/step Wall: 1569.03, 0.00392179/step, 2.3034 hours remaining, 111.207031 MB of memory in use. ENERGY: 385600 678.2298 1852.5606 1940.0175 107.1004 0.4675 -1084.5151 0.0000 0.0000 2726.6085 6220.4691 301.1615 3493.8606 6254.2503 300.1789 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: 1569.82, 0.00391508/step Wall: 1569.82, 0.00391508/step, 2.29924 hours remaining, 111.207031 MB of memory in use. ENERGY: 385800 638.8071 1828.5151 1947.7968 92.6510 1.7866 -1046.3746 0.0000 0.0000 2715.0099 6178.1918 299.8804 3463.1819 6211.5723 298.9375 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: 1570.6, 0.00392319/step Wall: 1570.6, 0.00392319/step, 2.30378 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 386000 655.3307 1889.8288 1934.2899 101.6992 0.2607 -1051.2306 0.0000 0.0000 2625.7707 6155.9493 290.0237 3530.1787 6188.6717 298.1243 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: 1571.39, 0.00392285/step Wall: 1571.39, 0.00392285/step, 2.30337 hours remaining, 111.207031 MB of memory in use. ENERGY: 386200 665.3268 1882.7827 1935.1152 106.0459 -0.1407 -1076.9992 0.0000 0.0000 2670.4914 6182.6222 294.9632 3512.1308 6213.2637 298.6434 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: 1572.17, 0.0039221/step Wall: 1572.17, 0.0039221/step, 2.30271 hours remaining, 111.207031 MB of memory in use. ENERGY: 386400 674.7005 1866.0530 1939.0677 107.1145 -0.2516 -1078.7329 0.0000 0.0000 2716.2735 6224.2247 300.0200 3507.9512 6257.4377 298.9209 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: 1572.95, 0.00392213/step Wall: 1572.95, 0.00392213/step, 2.30251 hours remaining, 111.207031 MB of memory in use. ENERGY: 386600 661.5114 1825.9551 1953.1464 118.3824 1.3825 -1031.0816 0.0000 0.0000 2755.9694 6285.2655 304.4045 3529.2961 6322.1228 300.9499 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: 1573.74, 0.00391527/step Wall: 1573.74, 0.00391527/step, 2.29826 hours remaining, 111.207031 MB of memory in use. ENERGY: 386800 650.4425 1841.9439 1965.5869 100.6499 2.1323 -1047.0424 0.0000 0.0000 2738.6242 6252.3372 302.4887 3513.7131 6289.0598 303.2819 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: 1574.52, 0.00392303/step Wall: 1574.52, 0.00392303/step, 2.3026 hours remaining, 111.207031 MB of memory in use. ENERGY: 387000 655.9612 1868.1567 1953.4259 102.9247 1.7160 -1095.7463 0.0000 0.0000 2726.1214 6212.5595 301.1077 3486.4381 6247.2308 300.6613 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: 1575.31, 0.0039208/step Wall: 1575.31, 0.0039208/step, 2.30107 hours remaining, 111.207031 MB of memory in use. ENERGY: 387200 649.4412 1817.7819 1964.1784 109.2742 2.1899 -1084.0705 0.0000 0.0000 2703.3757 6162.1708 298.5954 3458.7951 6195.6058 300.4549 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: 1576.09, 0.00392136/step Wall: 1576.09, 0.00392136/step, 2.30118 hours remaining, 111.207031 MB of memory in use. ENERGY: 387400 672.4060 1819.1621 1938.0232 96.8288 1.8031 -1075.2700 0.0000 0.0000 2710.1222 6163.0754 299.3405 3452.9532 6195.4759 297.5550 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: 1576.87, 0.00391514/step Wall: 1576.87, 0.00391514/step, 2.29732 hours remaining, 111.207031 MB of memory in use. ENERGY: 387600 631.4409 1857.5279 1937.4629 99.9674 0.5453 -1037.7921 0.0000 0.0000 2684.0667 6173.2190 296.4626 3489.1523 6206.6891 298.9714 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: 1577.66, 0.00392164/step Wall: 1577.66, 0.00392164/step, 2.30092 hours remaining, 111.207031 MB of memory in use. ENERGY: 387800 651.5190 1856.8724 1975.6106 105.6178 1.5518 -1086.4276 0.0000 0.0000 2688.2244 6192.9685 296.9219 3504.7441 6224.5636 298.8871 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: 1578.44, 0.00392453/step Wall: 1578.44, 0.00392453/step, 2.30239 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 388000 647.1864 1809.0212 1951.3907 118.4728 3.0167 -1069.1979 0.0000 0.0000 2736.7618 6196.6517 302.2830 3459.8899 6228.7295 300.0506 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: 1579.23, 0.00392374/step Wall: 1579.23, 0.00392374/step, 2.30171 hours remaining, 111.207031 MB of memory in use. ENERGY: 388200 661.3576 1915.5801 1926.1798 119.8385 1.8795 -1077.6176 0.0000 0.0000 2673.8806 6221.0986 295.3376 3547.2180 6252.1274 301.4817 LDB: ============= START OF LOAD BALANCING ============== 1581.93 LDB: ============== END OF LOAD BALANCING =============== 1581.93 LDB: =============== DONE WITH MIGRATION ================ 1581.93 LDB: ============= START OF LOAD BALANCING ============== 1582.32 LDB: ============== END OF LOAD BALANCING =============== 1582.32 LDB: =============== DONE WITH MIGRATION ================ 1582.32 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: 1580.01, 0.00392771/step Wall: 1580.01, 0.00392771/step, 2.30382 hours remaining, 111.207031 MB of memory in use. ENERGY: 388400 690.8700 1851.9073 1945.2948 95.0972 2.9933 -1076.8697 0.0000 0.0000 2753.8872 6263.1802 304.1745 3509.2930 6297.7571 301.4619 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: 1580.8, 0.00391733/step Wall: 1580.8, 0.00391733/step, 2.29751 hours remaining, 111.207031 MB of memory in use. ENERGY: 388600 668.4431 1879.7271 1936.2399 122.5584 2.4959 -1057.6878 0.0000 0.0000 2659.6646 6211.4413 293.7674 3551.7767 6244.7388 301.2945 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: 1581.58, 0.00392384/step Wall: 1581.58, 0.00392384/step, 2.30111 hours remaining, 111.207031 MB of memory in use. ENERGY: 388800 649.8115 1838.5873 1945.1651 96.0525 2.8082 -1056.6169 0.0000 0.0000 2746.8287 6222.6365 303.3949 3475.8077 6257.3363 299.9324 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: 1582.37, 0.00392363/step Wall: 1582.37, 0.00392363/step, 2.30077 hours remaining, 111.207031 MB of memory in use. ENERGY: 389000 663.7567 1853.8418 1933.2470 108.6510 2.9135 -1071.4975 0.0000 0.0000 2765.7996 6256.7122 305.4903 3490.9126 6291.9246 299.5977 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: 1583.15, 0.00392227/step Wall: 1583.15, 0.00392227/step, 2.29976 hours remaining, 111.207031 MB of memory in use. ENERGY: 389200 674.6328 1815.5616 1943.2167 108.8251 0.1593 -1068.7990 0.0000 0.0000 2736.0551 6209.6516 302.2049 3473.5966 6241.5736 300.2736 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: 1583.93, 0.00392253/step Wall: 1583.93, 0.00392253/step, 2.29969 hours remaining, 111.207031 MB of memory in use. ENERGY: 389400 648.7266 1888.2998 1929.6712 112.8644 1.3039 -1074.0100 0.0000 0.0000 2679.5635 6186.4194 295.9653 3506.8559 6219.4354 298.8815 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: 1584.72, 0.00391596/step Wall: 1584.72, 0.00391596/step, 2.29562 hours remaining, 111.207031 MB of memory in use. ENERGY: 389600 628.8589 1856.5694 1951.9650 116.2433 0.3466 -1015.0883 0.0000 0.0000 2694.4236 6233.3185 297.6066 3538.8949 6266.2249 299.4130 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: 1585.5, 0.00392398/step Wall: 1585.5, 0.00392398/step, 2.30011 hours remaining, 111.207031 MB of memory in use. ENERGY: 389800 652.7962 1870.6673 1961.1109 106.8293 0.8732 -1046.9333 0.0000 0.0000 2700.0882 6245.4319 298.2323 3545.3437 6275.9648 301.6149 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: 1586.29, 0.0039236/step Wall: 1586.29, 0.0039236/step, 2.29967 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 390000 660.4572 1896.5587 1963.4574 97.7243 1.9273 -1072.2307 0.0000 0.0000 2689.8334 6237.7275 297.0996 3547.8941 6268.3703 300.2360 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 390000 WRITING COORDINATES TO DCD FILE MD.1.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: 1587.12, 0.00418073/step Wall: 1587.12, 0.00418073/step, 2.45014 hours remaining, 111.207031 MB of memory in use. ENERGY: 390200 656.7293 1841.5404 1970.0345 108.5307 1.6472 -1111.0916 0.0000 0.0000 2737.3489 6204.7394 302.3478 3467.3905 6240.3330 300.4980 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: 1587.91, 0.00392141/step Wall: 1587.91, 0.00392141/step, 2.29795 hours remaining, 111.207031 MB of memory in use. ENERGY: 390400 627.0143 1869.4828 1948.6770 101.9394 2.6569 -1076.4090 0.0000 0.0000 2682.4421 6155.8035 296.2832 3473.3614 6187.7590 299.6045 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: 1588.69, 0.00391847/step Wall: 1588.69, 0.00391847/step, 2.296 hours remaining, 111.207031 MB of memory in use. ENERGY: 390600 674.8208 1894.6597 1930.7508 96.6152 4.4507 -1121.8738 0.0000 0.0000 2727.5974 6207.0208 301.2707 3479.4234 6238.2748 298.7303 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: 1589.48, 0.00392267/step Wall: 1589.48, 0.00392267/step, 2.29825 hours remaining, 111.207031 MB of memory in use. ENERGY: 390800 669.7649 1856.8999 1945.0837 99.8630 3.9641 -1103.9470 0.0000 0.0000 2734.0185 6205.6471 301.9800 3471.6286 6243.1523 299.6509 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: 1590.26, 0.00392238/step Wall: 1590.26, 0.00392238/step, 2.29786 hours remaining, 111.207031 MB of memory in use. ENERGY: 391000 669.4078 1862.9605 1912.2477 97.0802 3.4443 -1060.4650 0.0000 0.0000 2717.4741 6202.1496 300.1526 3484.6755 6235.1774 299.0833 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: 1591.05, 0.00392339/step Wall: 1591.05, 0.00392339/step, 2.29823 hours remaining, 111.207031 MB of memory in use. ENERGY: 391200 696.9216 1861.6565 1943.9851 104.8850 2.0183 -1118.5361 0.0000 0.0000 2749.8857 6240.8160 303.7325 3490.9304 6275.1768 300.8053 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: 1591.83, 0.00391662/step Wall: 1591.83, 0.00391662/step, 2.29405 hours remaining, 111.207031 MB of memory in use. ENERGY: 391400 661.8316 1886.2168 1940.7782 108.0954 3.4814 -1049.6437 0.0000 0.0000 2710.6615 6261.4211 299.4001 3550.7596 6293.8547 301.4069 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: 1592.61, 0.00392313/step Wall: 1592.61, 0.00392313/step, 2.29765 hours remaining, 111.207031 MB of memory in use. ENERGY: 391600 623.9346 1855.4198 1952.1217 108.6787 2.2274 -1056.2898 0.0000 0.0000 2757.9424 6244.0348 304.6224 3486.0924 6278.9717 300.9776 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: 1593.4, 0.00392215/step Wall: 1593.4, 0.00392215/step, 2.29685 hours remaining, 111.207031 MB of memory in use. ENERGY: 391800 678.4740 1893.5687 1959.0310 104.3909 2.1562 -1064.4072 0.0000 0.0000 2782.2489 6355.4624 307.3071 3573.2135 6389.2268 305.5381 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: 1594.18, 0.00392176/step Wall: 1594.18, 0.00392176/step, 2.29641 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 392000 665.7597 1827.9620 1940.3317 115.3408 1.9038 -1024.6310 0.0000 0.0000 2799.9210 6326.5880 309.2591 3526.6671 6362.9269 306.2393 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: 1594.97, 0.00392466/step Wall: 1594.97, 0.00392466/step, 2.29789 hours remaining, 111.207031 MB of memory in use. ENERGY: 392200 679.5299 1919.0440 1934.7333 98.9260 1.1521 -1069.2411 0.0000 0.0000 2812.8329 6376.9772 310.6852 3564.1443 6411.9557 307.8027 LDB: ============= START OF LOAD BALANCING ============== 1597.67 LDB: ============== END OF LOAD BALANCING =============== 1597.67 LDB: =============== DONE WITH MIGRATION ================ 1597.67 LDB: ============= START OF LOAD BALANCING ============== 1598.06 LDB: ============== END OF LOAD BALANCING =============== 1598.06 LDB: =============== DONE WITH MIGRATION ================ 1598.06 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: 1595.75, 0.00392/step Wall: 1595.75, 0.00392/step, 2.29494 hours remaining, 111.207031 MB of memory in use. ENERGY: 392400 668.4552 1950.5851 1911.8278 103.8741 2.5288 -1063.9189 0.0000 0.0000 2805.2321 6378.5842 309.8457 3573.3521 6412.3953 308.5404 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: 1596.54, 0.00392244/step Wall: 1596.54, 0.00392244/step, 2.29615 hours remaining, 111.207031 MB of memory in use. ENERGY: 392600 672.5898 1909.8798 1933.6325 100.8250 2.6303 -1024.7223 0.0000 0.0000 2814.2064 6409.0414 310.8369 3594.8350 6443.1777 310.0207 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: 1597.32, 0.00393167/step Wall: 1597.32, 0.00393167/step, 2.30134 hours remaining, 111.207031 MB of memory in use. ENERGY: 392800 662.6605 1941.6359 1949.5125 108.1836 2.4509 -1047.3700 0.0000 0.0000 2724.5153 6341.5886 300.9303 3617.0734 6376.5359 308.1324 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: 1598.11, 0.00392179/step Wall: 1598.11, 0.00392179/step, 2.29534 hours remaining, 111.207031 MB of memory in use. ENERGY: 393000 670.1907 1868.0607 1965.6747 107.2152 1.7627 -1055.4472 0.0000 0.0000 2709.4144 6266.8712 299.2624 3557.4568 6299.4116 305.2477 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: 1598.89, 0.00391616/step Wall: 1598.89, 0.00391616/step, 2.29182 hours remaining, 111.207031 MB of memory in use. ENERGY: 393200 643.9496 1874.1087 1937.9647 108.0884 3.5588 -1053.5630 0.0000 0.0000 2658.8938 6173.0011 293.6822 3514.1073 6203.0638 299.3100 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: 1599.67, 0.00392107/step Wall: 1599.67, 0.00392107/step, 2.29448 hours remaining, 111.207031 MB of memory in use. ENERGY: 393400 667.4415 1810.5186 1929.5475 105.9223 4.2114 -1074.5230 0.0000 0.0000 2687.4313 6130.5496 296.8343 3443.1183 6165.4794 297.8979 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: 1600.46, 0.00392242/step Wall: 1600.46, 0.00392242/step, 2.29505 hours remaining, 111.207031 MB of memory in use. ENERGY: 393600 644.1660 1888.0296 1951.7458 90.9000 4.4955 -1086.4416 0.0000 0.0000 2632.6152 6125.5105 290.7797 3492.8953 6156.4865 293.2032 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: 1601.24, 0.00392162/step Wall: 1601.24, 0.00392162/step, 2.29437 hours remaining, 111.207031 MB of memory in use. ENERGY: 393800 654.4155 1852.4158 1946.5524 103.5209 1.7118 -1061.7615 0.0000 0.0000 2708.4378 6205.2927 299.1545 3496.8549 6239.1543 294.7329 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: 1602.03, 0.00392204/step Wall: 1602.03, 0.00392204/step, 2.29439 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 394000 648.9634 1837.0504 1933.9350 109.2035 2.8999 -1015.1236 0.0000 0.0000 2760.4400 6277.3686 304.8983 3516.9286 6314.0458 301.2918 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: 1602.81, 0.00391531/step Wall: 1602.81, 0.00391531/step, 2.29024 hours remaining, 111.207031 MB of memory in use. ENERGY: 394200 651.1952 1896.5657 1976.5160 106.3416 3.3734 -1080.1212 0.0000 0.0000 2724.5196 6278.3903 300.9308 3553.8706 6311.6139 303.1631 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: 1603.59, 0.00392068/step Wall: 1603.59, 0.00392068/step, 2.29316 hours remaining, 111.207031 MB of memory in use. ENERGY: 394400 661.9510 1873.6221 1945.1760 121.5186 2.5902 -1061.3640 0.0000 0.0000 2718.3950 6261.8888 300.2543 3543.4938 6292.7113 302.3633 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: 1604.38, 0.00392123/step Wall: 1604.38, 0.00392123/step, 2.29327 hours remaining, 111.207031 MB of memory in use. ENERGY: 394600 686.7552 1914.8166 1960.2185 102.7362 2.9775 -1092.1062 0.0000 0.0000 2672.9150 6248.3127 295.2309 3575.3977 6280.5572 300.3454 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: 1605.16, 0.00392097/step Wall: 1605.16, 0.00392097/step, 2.2929 hours remaining, 111.207031 MB of memory in use. ENERGY: 394800 657.8204 1856.9141 1974.2032 107.5747 3.2121 -1077.4325 0.0000 0.0000 2728.8623 6251.1543 301.4104 3522.2920 6285.4802 302.3934 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: 1605.95, 0.00392022/step Wall: 1605.95, 0.00392022/step, 2.29224 hours remaining, 111.207031 MB of memory in use. ENERGY: 395000 683.8994 1819.7458 1949.8619 116.3783 4.4579 -1076.9979 0.0000 0.0000 2758.2780 6255.6236 304.6595 3497.3455 6290.4989 302.4693 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: 1606.73, 0.00391919/step Wall: 1606.73, 0.00391919/step, 2.29142 hours remaining, 111.207031 MB of memory in use. ENERGY: 395200 633.7876 1869.8046 1947.4854 116.1007 2.8118 -1067.3498 0.0000 0.0000 2731.1774 6233.8176 301.6661 3502.6403 6265.7333 301.0698 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: 1607.51, 0.00392135/step Wall: 1607.51, 0.00392135/step, 2.29246 hours remaining, 111.207031 MB of memory in use. ENERGY: 395400 654.3719 1839.3103 1969.5105 106.7980 2.9227 -1067.6408 0.0000 0.0000 2727.1266 6232.3993 301.2187 3505.2727 6265.8481 300.8295 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: 1608.3, 0.0039206/step Wall: 1608.3, 0.00392059/step, 2.29181 hours remaining, 111.207031 MB of memory in use. ENERGY: 395600 650.2790 1816.5660 1932.7045 105.1369 2.3295 -1036.1321 0.0000 0.0000 2730.2098 6201.0936 301.5593 3470.8838 6233.4807 299.8788 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: 1609.08, 0.00392129/step Wall: 1609.08, 0.0039213/step, 2.292 hours remaining, 111.207031 MB of memory in use. ENERGY: 395800 679.4498 1781.3843 1951.8829 115.7866 3.2761 -1087.9597 0.0000 0.0000 2728.3138 6172.1338 301.3499 3443.8200 6205.1524 300.2287 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: 1609.87, 0.00391539/step Wall: 1609.87, 0.00391539/step, 2.28833 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 396000 634.8297 1778.5253 1958.6136 123.0651 2.4068 -1089.1469 0.0000 0.0000 2668.8395 6077.1332 294.7808 3408.2937 6110.2283 295.5594 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: 1610.65, 0.00392213/step Wall: 1610.65, 0.00392213/step, 2.29205 hours remaining, 111.207031 MB of memory in use. ENERGY: 396200 651.8910 1823.3942 1933.7885 108.6021 1.5452 -1056.6058 0.0000 0.0000 2579.3133 6041.9285 284.8923 3462.6152 6070.8172 290.8064 LDB: ============= START OF LOAD BALANCING ============== 1613.35 LDB: ============== END OF LOAD BALANCING =============== 1613.35 LDB: =============== DONE WITH MIGRATION ================ 1613.35 LDB: ============= START OF LOAD BALANCING ============== 1613.74 LDB: ============== END OF LOAD BALANCING =============== 1613.74 LDB: =============== DONE WITH MIGRATION ================ 1613.74 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: 1611.44, 0.00392641/step Wall: 1611.44, 0.0039264/step, 2.29433 hours remaining, 111.207031 MB of memory in use. ENERGY: 396400 659.5749 1790.0483 1946.4690 101.9339 2.0647 -1048.4186 0.0000 0.0000 2616.1239 6067.7962 288.9582 3451.6722 6099.3947 288.2450 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: 1612.22, 0.00392122/step Wall: 1612.22, 0.00392123/step, 2.29108 hours remaining, 111.207031 MB of memory in use. ENERGY: 396600 653.8569 1811.3573 1938.9423 109.2115 3.0107 -1073.4308 0.0000 0.0000 2688.4139 6131.3618 296.9428 3442.9479 6163.7299 293.4690 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: 1613, 0.00392216/step Wall: 1613, 0.00392216/step, 2.29141 hours remaining, 111.207031 MB of memory in use. ENERGY: 396800 685.6028 1841.7227 1927.9072 124.7497 3.9663 -1068.3583 0.0000 0.0000 2651.2216 6166.8122 292.8348 3515.5905 6195.4920 295.9217 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: 1613.79, 0.00391695/step Wall: 1613.79, 0.00391695/step, 2.28815 hours remaining, 111.207031 MB of memory in use. ENERGY: 397000 663.4505 1835.0565 1969.6602 119.5866 2.9505 -1100.8045 0.0000 0.0000 2744.3462 6234.2460 303.1207 3489.8998 6268.2675 299.2313 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: 1614.57, 0.00392311/step Wall: 1614.57, 0.00392311/step, 2.29153 hours remaining, 111.207031 MB of memory in use. ENERGY: 397200 650.3167 1857.5967 1941.7970 118.3911 2.0363 -1041.6818 0.0000 0.0000 2736.6597 6265.1157 302.2717 3528.4560 6297.5469 301.5628 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: 1615.36, 0.00392299/step Wall: 1615.36, 0.00392299/step, 2.29124 hours remaining, 111.207031 MB of memory in use. ENERGY: 397400 641.1243 1866.1482 1948.3221 104.1537 3.7827 -1049.7680 0.0000 0.0000 2722.5592 6236.3223 300.7142 3513.7631 6269.1141 299.4575 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: 1616.14, 0.00392293/step Wall: 1616.14, 0.00392293/step, 2.29099 hours remaining, 111.207031 MB of memory in use. ENERGY: 397600 634.3728 1827.9828 1952.3815 105.1005 2.1243 -1046.2958 0.0000 0.0000 2761.2270 6236.8929 304.9852 3475.6660 6271.2375 299.8272 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: 1616.92, 0.00391649/step Wall: 1616.92, 0.00391649/step, 2.28702 hours remaining, 111.207031 MB of memory in use. ENERGY: 397800 618.0028 1881.1178 1944.1518 101.3973 2.9091 -1050.9746 0.0000 0.0000 2750.0374 6246.6415 303.7493 3496.6041 6280.5983 301.6003 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: 1617.71, 0.00392277/step Wall: 1617.71, 0.00392277/step, 2.29046 hours remaining, 111.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 398000 624.0397 1878.6141 1956.7620 103.6799 4.0953 -1058.9342 0.0000 0.0000 2772.6417 6280.8985 306.2460 3508.2569 6315.1229 302.6970 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: 1618.49, 0.00392434/step Wall: 1618.49, 0.00392434/step, 2.29116 hours remaining, 111.207031 MB of memory in use. ENERGY: 398200 655.2080 1868.5006 1995.2314 114.2784 5.1397 -1065.3323 0.0000 0.0000 2726.1651 6299.1910 301.1125 3573.0259 6331.7414 303.3348 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: 1619.28, 0.00392066/step Wall: 1619.28, 0.00392066/step, 2.2888 hours remaining, 111.207031 MB of memory in use. ENERGY: 398400 669.2300 1884.3908 1970.5842 105.1424 3.1831 -1097.3890 0.0000 0.0000 2784.5042 6319.6457 307.5562 3535.1415 6355.8208 303.6795 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: 1620.06, 0.00392118/step Wall: 1620.06, 0.00392118/step, 2.28888 hours remaining, 111.207031 MB of memory in use. ENERGY: 398600 664.2238 1869.5483 1978.5203 108.0031 3.3775 -1070.5528 0.0000 0.0000 2730.7493 6283.8696 301.6189 3553.1203 6313.9591 303.0584 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: 1620.85, 0.00391566/step Wall: 1620.85, 0.00391566/step, 2.28544 hours remaining, 111.207031 MB of memory in use. ENERGY: 398800 661.7056 1907.3421 1942.2171 105.9193 3.5593 -1075.7391 0.0000 0.0000 2707.1844 6252.1888 299.0161 3545.0044 6281.3661 302.0455 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: 1621.63, 0.00392097/step Wall: 1621.63, 0.00392096/step, 2.28832 hours remaining, 111.207031 MB of memory in use. ENERGY: 399000 648.8597 1858.5108 1972.0325 94.0991 4.3942 -1082.9813 0.0000 0.0000 2783.4778 6278.3928 307.4429 3494.9149 6314.5513 303.5475 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: 1622.41, 0.00392205/step Wall: 1622.41, 0.00392206/step, 2.28874 hours remaining, 111.207031 MB of memory in use. ENERGY: 399200 649.1715 1909.3515 1933.9561 109.6215 3.3403 -1040.8687 0.0000 0.0000 2690.5841 6255.1563 297.1825 3564.5722 6285.7893 301.5307 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: 1623.2, 0.00392063/step Wall: 1623.2, 0.00392063/step, 2.28769 hours remaining, 111.207031 MB of memory in use. ENERGY: 399400 646.1811 1860.8127 1935.2819 104.7127 3.3081 -1072.9623 0.0000 0.0000 2770.8893 6248.2235 306.0524 3477.3342 6282.0041 301.9095 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: 1623.98, 0.00392286/step Wall: 1623.98, 0.00392285/step, 2.28877 hours remaining, 111.207031 MB of memory in use. ENERGY: 399600 656.1824 1851.7015 1953.6554 96.3936 2.8646 -1044.4568 0.0000 0.0000 2757.9561 6274.2968 304.6239 3516.3407 6310.7579 301.9473 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: 1624.77, 0.00391582/step Wall: 1624.77, 0.00391582/step, 2.28445 hours remaining, 111.207031 MB of memory in use. ENERGY: 399800 696.5967 1875.6682 1934.1596 101.2119 3.1376 -1069.0696 0.0000 0.0000 2750.1599 6291.8641 303.7628 3541.7043 6325.5308 302.2616 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: 1625.55, 0.00393903/step Wall: 1625.55, 0.00393903/step, 2.29777 hours remaining, 111.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 400000 687.8872 1856.7054 1956.7156 107.8838 2.8687 -1031.1672 0.0000 0.0000 2734.5848 6315.4782 302.0425 3580.8934 6351.3389 304.5013 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 400000 WRITING COORDINATES TO DCD FILE MD.1.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: 1626.42, 0.00431682/step Wall: 1626.42, 0.00431682/step, 2.51791 hours remaining, 111.210938 MB of memory in use. ENERGY: 400200 645.7562 1902.1002 1954.4982 114.0827 3.5216 -1064.2140 0.0000 0.0000 2764.4980 6320.2430 305.3465 3555.7450 6353.6224 304.9128 LDB: ============= START OF LOAD BALANCING ============== 1629.12 LDB: ============== END OF LOAD BALANCING =============== 1629.12 LDB: =============== DONE WITH MIGRATION ================ 1629.12 LDB: ============= START OF LOAD BALANCING ============== 1629.51 LDB: ============== END OF LOAD BALANCING =============== 1629.51 LDB: =============== DONE WITH MIGRATION ================ 1629.51 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: 1627.2, 0.00392948/step Wall: 1627.2, 0.00392948/step, 2.29176 hours remaining, 111.210938 MB of memory in use. ENERGY: 400400 696.0867 1900.7640 1950.6313 113.1596 2.2923 -1055.3634 0.0000 0.0000 2744.5337 6352.1042 303.1414 3607.5705 6382.7516 305.0429 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: 1627.99, 0.00392063/step Wall: 1627.99, 0.00392062/step, 2.28637 hours remaining, 111.210938 MB of memory in use. ENERGY: 400600 667.0368 1854.4918 1976.6102 111.1682 3.4620 -1081.7881 0.0000 0.0000 2758.7616 6289.7425 304.7129 3530.9809 6329.4321 303.7354 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: 1628.77, 0.00391876/step Wall: 1628.77, 0.00391877/step, 2.28508 hours remaining, 111.210938 MB of memory in use. ENERGY: 400800 631.5727 1906.7945 1926.6708 108.9423 3.1958 -1070.0323 0.0000 0.0000 2711.3797 6218.5235 299.4794 3507.1438 6251.7828 301.4748 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: 1629.56, 0.00392308/step Wall: 1629.56, 0.00392308/step, 2.28738 hours remaining, 111.210938 MB of memory in use. ENERGY: 401000 643.8842 1833.1619 1950.8193 109.9927 2.7588 -1066.0889 0.0000 0.0000 2719.2686 6193.7967 300.3508 3474.5281 6226.3156 297.5145 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: 1630.34, 0.00392271/step Wall: 1630.34, 0.00392271/step, 2.28694 hours remaining, 111.210938 MB of memory in use. ENERGY: 401200 678.2241 1842.4675 1939.7804 90.8270 1.6055 -1083.8861 0.0000 0.0000 2721.9472 6190.9656 300.6467 3469.0184 6223.3221 297.1279 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: 1631.12, 0.00392217/step Wall: 1631.12, 0.00392217/step, 2.28641 hours remaining, 111.210938 MB of memory in use. ENERGY: 401400 621.1460 1906.8722 1965.5843 109.4545 0.8649 -1086.9742 0.0000 0.0000 2693.9741 6210.9217 297.5569 3516.9477 6245.6353 298.7373 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: 1631.91, 0.00391475/step Wall: 1631.91, 0.00391475/step, 2.28186 hours remaining, 111.210938 MB of memory in use. ENERGY: 401600 613.2335 1861.0986 2001.5612 115.9386 1.8865 -1059.1474 0.0000 0.0000 2688.4128 6222.9838 296.9427 3534.5710 6258.7394 299.4182 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: 1632.69, 0.00392129/step Wall: 1632.69, 0.00392129/step, 2.28546 hours remaining, 111.210938 MB of memory in use. ENERGY: 401800 634.9189 1841.5102 1960.8678 116.2091 1.2275 -1049.5754 0.0000 0.0000 2747.2439 6252.4020 303.4407 3505.1581 6285.1590 300.9957 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: 1633.48, 0.00392123/step Wall: 1633.48, 0.00392123/step, 2.28521 hours remaining, 111.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 402000 640.0972 1836.3718 1948.8605 106.3459 1.3710 -1047.7320 0.0000 0.0000 2708.6404 6193.9550 299.1769 3485.3146 6226.9789 299.6105 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: 1634.26, 0.0039211/step Wall: 1634.26, 0.0039211/step, 2.28491 hours remaining, 111.210938 MB of memory in use. ENERGY: 402200 640.9088 1824.2789 1954.3950 102.8108 3.4296 -996.5852 0.0000 0.0000 2680.1871 6209.4250 296.0341 3529.2379 6240.2927 298.3746 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: 1635.04, 0.00392141/step Wall: 1635.04, 0.00392141/step, 2.28487 hours remaining, 111.210938 MB of memory in use. ENERGY: 402400 651.3217 1881.5159 1983.5740 107.9574 2.8072 -1098.4362 0.0000 0.0000 2673.3380 6202.0780 295.2776 3528.7400 6232.1505 297.0205 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: 1635.83, 0.00391539/step Wall: 1635.83, 0.00391539/step, 2.28115 hours remaining, 111.210938 MB of memory in use. ENERGY: 402600 674.2443 1879.6156 1947.1759 95.7855 3.3912 -1094.9336 0.0000 0.0000 2672.0568 6177.3356 295.1361 3505.2789 6206.2641 298.2442 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: 1636.61, 0.00392278/step Wall: 1636.61, 0.00392278/step, 2.28524 hours remaining, 111.210938 MB of memory in use. ENERGY: 402800 690.1425 1802.6712 1934.8140 96.0976 2.7228 -1072.9653 0.0000 0.0000 2689.5145 6142.9974 297.0644 3453.4830 6175.5227 298.0857 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: 1637.4, 0.00393507/step Wall: 1637.4, 0.00393507/step, 2.29218 hours remaining, 111.210938 MB of memory in use. ENERGY: 403000 637.3555 1823.3946 1979.1131 121.8591 2.5115 -1075.8951 0.0000 0.0000 2693.3402 6181.6789 297.4869 3488.3387 6217.3007 296.5781 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: 1638.18, 0.00392119/step Wall: 1638.18, 0.00392119/step, 2.28387 hours remaining, 111.210938 MB of memory in use. ENERGY: 403200 652.5126 1820.3670 1981.2094 120.8475 1.7590 -1085.0517 0.0000 0.0000 2679.5839 6171.2276 295.9675 3491.6437 6204.7572 297.0106 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: 1638.97, 0.00391612/step Wall: 1638.97, 0.00391612/step, 2.28071 hours remaining, 111.210938 MB of memory in use. ENERGY: 403400 640.2464 1829.9927 1959.3975 116.8324 2.0121 -1053.3407 0.0000 0.0000 2640.0741 6135.2145 291.6035 3495.1404 6166.2587 295.4229 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: 1639.75, 0.00392171/step Wall: 1639.75, 0.00392171/step, 2.28374 hours remaining, 111.210938 MB of memory in use. ENERGY: 403600 656.4359 1830.9655 1945.6219 105.6568 3.8667 -1078.7405 0.0000 0.0000 2669.4843 6133.2905 294.8520 3463.8062 6166.1333 294.3632 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: 1640.54, 0.00392272/step Wall: 1640.54, 0.00392272/step, 2.28411 hours remaining, 111.210938 MB of memory in use. ENERGY: 403800 659.9239 1800.7622 1958.2551 93.8314 2.9767 -1055.3236 0.0000 0.0000 2686.9433 6147.3690 296.7804 3460.4257 6182.5058 296.1195 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: 1641.32, 0.00392264/step Wall: 1641.32, 0.00392264/step, 2.28385 hours remaining, 111.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 404000 645.2241 1797.0337 1928.1768 114.2275 3.7690 -1064.6204 0.0000 0.0000 2716.5815 6140.3922 300.0540 3423.8107 6173.2780 295.1912 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: 1642.1, 0.00392096/step Wall: 1642.1, 0.00392096/step, 2.28265 hours remaining, 111.210938 MB of memory in use. ENERGY: 404200 691.3295 1854.8081 1978.1789 122.9022 5.0103 -1083.4206 0.0000 0.0000 2665.4019 6234.2102 294.4011 3568.8083 6267.6370 296.3255 LDB: ============= START OF LOAD BALANCING ============== 1644.81 LDB: ============== END OF LOAD BALANCING =============== 1644.81 LDB: =============== DONE WITH MIGRATION ================ 1644.81 LDB: ============= START OF LOAD BALANCING ============== 1645.2 LDB: ============== END OF LOAD BALANCING =============== 1645.2 LDB: =============== DONE WITH MIGRATION ================ 1645.2 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: 1642.89, 0.00391898/step Wall: 1642.89, 0.00391898/step, 2.28128 hours remaining, 111.210938 MB of memory in use. ENERGY: 404400 650.5552 1855.6401 1975.3795 102.4382 2.8816 -1040.5538 0.0000 0.0000 2718.7986 6265.1393 300.2989 3546.3407 6299.1026 302.2766 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: 1643.67, 0.00392169/step Wall: 1643.67, 0.00392169/step, 2.28264 hours remaining, 111.210938 MB of memory in use. ENERGY: 404600 626.7978 1884.5407 1945.4068 106.4055 3.3607 -1021.7916 0.0000 0.0000 2701.3341 6246.0540 298.3699 3544.7199 6280.4515 301.6552 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: 1644.46, 0.0039255/step Wall: 1644.46, 0.0039255/step, 2.28464 hours remaining, 111.210938 MB of memory in use. ENERGY: 404800 673.5885 1848.6776 1955.9171 109.2627 3.2148 -1097.2180 0.0000 0.0000 2695.1609 6188.6037 297.6880 3493.4428 6224.8282 299.7014 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: 1645.24, 0.00392347/step Wall: 1645.24, 0.00392347/step, 2.28324 hours remaining, 111.210938 MB of memory in use. ENERGY: 405000 669.0088 1920.0836 1934.4817 106.7942 1.9974 -1056.4904 0.0000 0.0000 2688.3609 6264.2361 296.9369 3575.8752 6295.8415 300.8212 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: 1646.03, 0.00392218/step Wall: 1646.03, 0.00392218/step, 2.28228 hours remaining, 111.210938 MB of memory in use. ENERGY: 405200 670.0699 1828.4050 1926.4305 115.1029 5.1162 -1043.5207 0.0000 0.0000 2749.9829 6251.5867 303.7433 3501.6038 6284.6885 301.6771 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: 1646.81, 0.00391776/step Wall: 1646.81, 0.00391776/step, 2.27948 hours remaining, 111.210938 MB of memory in use. ENERGY: 405400 653.3719 1865.4634 1968.6212 109.0369 4.4145 -1055.3923 0.0000 0.0000 2736.6717 6282.1873 302.2730 3545.5156 6316.6791 303.5857 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: 1647.6, 0.00392366/step Wall: 1647.6, 0.00392366/step, 2.2827 hours remaining, 111.210938 MB of memory in use. ENERGY: 405600 704.4740 1882.6963 1942.3570 99.5692 2.9310 -1102.2430 0.0000 0.0000 2748.4729 6278.2574 303.5765 3529.7845 6311.7044 303.2812 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: 1648.38, 0.00392608/step Wall: 1648.38, 0.00392608/step, 2.28389 hours remaining, 111.210938 MB of memory in use. ENERGY: 405800 682.4395 1824.1128 1962.7086 119.2312 2.6236 -1046.0630 0.0000 0.0000 2783.0748 6328.1277 307.3984 3545.0529 6362.3357 305.1352 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: 1649.16, 0.00392128/step Wall: 1649.16, 0.00392128/step, 2.28088 hours remaining, 111.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 406000 672.9288 1867.3449 1963.6886 118.4016 2.0741 -1079.1336 0.0000 0.0000 2777.5867 6322.8911 306.7922 3545.3044 6357.0554 306.5341 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: 1649.95, 0.00391524/step Wall: 1649.95, 0.00391524/step, 2.27715 hours remaining, 111.210938 MB of memory in use. ENERGY: 406200 662.1102 1886.9739 1991.5229 117.6891 2.7268 -1072.0579 0.0000 0.0000 2748.9467 6337.9117 303.6288 3588.9650 6369.5925 304.1304 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: 1650.73, 0.00392234/step Wall: 1650.73, 0.00392234/step, 2.28106 hours remaining, 111.210938 MB of memory in use. ENERGY: 406400 635.8805 1900.4538 1943.4911 119.5108 1.2172 -1022.1622 0.0000 0.0000 2687.2489 6265.6401 296.8141 3578.3912 6299.2638 303.5730 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: 1651.52, 0.0039232/step Wall: 1651.52, 0.0039232/step, 2.28134 hours remaining, 111.210938 MB of memory in use. ENERGY: 406600 636.6779 1833.1031 1971.7358 107.8055 2.7318 -1052.5826 0.0000 0.0000 2761.4264 6260.8980 305.0072 3499.4716 6295.6798 301.0148 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: 1652.3, 0.00392303/step Wall: 1652.3, 0.00392303/step, 2.28102 hours remaining, 111.214844 MB of memory in use. ENERGY: 406800 632.2107 1860.7219 1978.4611 101.6179 1.0864 -1085.8131 0.0000 0.0000 2780.1746 6268.4595 307.0780 3488.2849 6303.4888 301.2088 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: 1653.09, 0.00392084/step Wall: 1653.09, 0.00392084/step, 2.27953 hours remaining, 111.214844 MB of memory in use. ENERGY: 407000 671.7708 1874.0536 1983.6517 100.6797 1.5099 -1089.3966 0.0000 0.0000 2663.2826 6205.5518 294.1670 3542.2692 6239.2452 301.1372 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: 1653.87, 0.00391451/step Wall: 1653.87, 0.00391451/step, 2.27563 hours remaining, 111.214844 MB of memory in use. ENERGY: 407200 636.8816 1883.4251 1947.6403 109.2850 2.1788 -1087.0301 0.0000 0.0000 2701.4674 6193.8481 298.3846 3492.3807 6225.1944 298.7796 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: 1654.65, 0.00392402/step Wall: 1654.65, 0.00392402/step, 2.28095 hours remaining, 111.214844 MB of memory in use. ENERGY: 407400 642.0957 1887.4614 1946.7526 108.8115 1.4728 -1072.1062 0.0000 0.0000 2726.4115 6240.8992 301.1397 3514.4877 6273.0239 300.4333 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: 1655.44, 0.00392403/step Wall: 1655.44, 0.00392403/step, 2.28073 hours remaining, 111.218750 MB of memory in use. ENERGY: 407600 628.5894 1866.0590 1953.9340 99.6481 0.8622 -1071.0119 0.0000 0.0000 2702.1167 6180.1974 298.4563 3478.0807 6212.1565 300.3021 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: 1656.22, 0.00392243/step Wall: 1656.22, 0.00392243/step, 2.27958 hours remaining, 111.218750 MB of memory in use. ENERGY: 407800 644.4315 1860.7485 1977.5069 115.4796 -0.0203 -1120.4907 0.0000 0.0000 2714.4029 6192.0585 299.8134 3477.6555 6223.2517 298.0906 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: 1657.01, 0.00391652/step Wall: 1657.01, 0.00391652/step, 2.27593 hours remaining, 111.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 408000 611.3031 1829.5329 1960.1766 101.4991 2.5740 -1068.8909 0.0000 0.0000 2719.1192 6155.3139 300.3343 3436.1947 6187.0942 296.6013 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: 1657.79, 0.00392246/step Wall: 1657.79, 0.00392246/step, 2.27917 hours remaining, 111.218750 MB of memory in use. ENERGY: 408200 669.9789 1794.9060 1933.7283 104.2152 1.3827 -1079.5892 0.0000 0.0000 2701.1634 6125.7853 298.3510 3424.6219 6160.5542 295.2017 LDB: ============= START OF LOAD BALANCING ============== 1660.49 LDB: ============== END OF LOAD BALANCING =============== 1660.49 LDB: =============== DONE WITH MIGRATION ================ 1660.49 LDB: ============= START OF LOAD BALANCING ============== 1660.89 LDB: ============== END OF LOAD BALANCING =============== 1660.89 LDB: =============== DONE WITH MIGRATION ================ 1660.89 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: 1658.58, 0.00393073/step Wall: 1658.58, 0.00393073/step, 2.28375 hours remaining, 111.218750 MB of memory in use. ENERGY: 408400 628.6731 1808.3328 1968.8813 116.8814 2.1002 -1111.9053 0.0000 0.0000 2711.2002 6124.1637 299.4596 3412.9635 6159.8636 294.8523 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: 1659.36, 0.00392409/step Wall: 1659.36, 0.00392409/step, 2.27968 hours remaining, 111.218750 MB of memory in use. ENERGY: 408600 603.6151 1851.4769 1979.1703 111.2345 2.2163 -1101.9554 0.0000 0.0000 2712.0909 6157.8485 299.5580 3445.7576 6192.6007 295.8282 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: 1660.15, 0.00392426/step Wall: 1660.15, 0.00392426/step, 2.27956 hours remaining, 111.218750 MB of memory in use. ENERGY: 408800 639.4648 1866.3769 1968.7342 98.5860 2.4206 -1089.9456 0.0000 0.0000 2630.3902 6116.0272 290.5339 3485.6370 6147.0301 296.4654 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: 1660.93, 0.00391775/step Wall: 1660.93, 0.00391775/step, 2.27556 hours remaining, 111.218750 MB of memory in use. ENERGY: 409000 625.3357 1807.1482 1957.0244 118.2360 2.5870 -1063.6895 0.0000 0.0000 2693.2947 6139.9364 297.4819 3446.6417 6176.4338 295.5333 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: 1661.71, 0.00392334/step Wall: 1661.71, 0.00392334/step, 2.27859 hours remaining, 111.218750 MB of memory in use. ENERGY: 409200 707.1561 1828.8481 1945.8242 116.3155 0.5681 -1119.0801 0.0000 0.0000 2654.0943 6133.7261 293.1521 3479.6318 6164.4771 294.8120 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: 1662.5, 0.00392416/step Wall: 1662.5, 0.00392416/step, 2.27884 hours remaining, 111.218750 MB of memory in use. ENERGY: 409400 615.5855 1844.3854 1949.6711 117.4256 1.5990 -1089.9594 0.0000 0.0000 2697.9325 6136.6399 297.9942 3438.7074 6169.2462 295.2120 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: 1663.28, 0.00392119/step Wall: 1663.28, 0.00392119/step, 2.2769 hours remaining, 111.218750 MB of memory in use. ENERGY: 409600 611.7385 1855.0773 1968.7918 108.3766 2.3486 -1074.3627 0.0000 0.0000 2662.9171 6134.8872 294.1266 3471.9701 6166.5851 294.2148 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: 1664.07, 0.00392287/step Wall: 1664.07, 0.00392287/step, 2.27766 hours remaining, 111.218750 MB of memory in use. ENERGY: 409800 682.2533 1792.2030 1943.0738 93.9837 0.6189 -1087.5448 0.0000 0.0000 2720.1313 6144.7191 300.4461 3424.5879 6174.3560 295.9542 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: 1664.85, 0.00391773/step Wall: 1664.85, 0.00391773/step, 2.27446 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 410000 634.1885 1875.2336 1946.4749 95.8332 1.7877 -1071.2228 0.0000 0.0000 2689.7636 6172.0586 297.0919 3482.2950 6203.1143 296.9923 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 410000 WRITING COORDINATES TO DCD FILE MD.1.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: 1665.76, 0.00451927/step Wall: 1665.76, 0.00451927/step, 2.62344 hours remaining, 111.324219 MB of memory in use. ENERGY: 410200 665.0209 1831.7857 1970.4767 109.5832 1.0354 -1068.5974 0.0000 0.0000 2722.2004 6231.5049 300.6746 3509.3045 6263.5386 298.6270 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: 1666.54, 0.00392456/step Wall: 1666.54, 0.00392456/step, 2.27799 hours remaining, 111.324219 MB of memory in use. ENERGY: 410400 625.0491 1856.5712 2001.1198 108.1093 2.1119 -1059.5301 0.0000 0.0000 2675.0524 6208.4835 295.4670 3533.4311 6238.0598 298.9417 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: 1667.33, 0.00392423/step Wall: 1667.33, 0.00392423/step, 2.27758 hours remaining, 111.324219 MB of memory in use. ENERGY: 410600 694.0688 1859.7079 1964.2804 103.7189 1.6639 -1069.3123 0.0000 0.0000 2674.3946 6228.5223 295.3943 3554.1277 6258.6317 298.6689 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: 1668.11, 0.00392286/step Wall: 1668.11, 0.00392286/step, 2.27656 hours remaining, 111.324219 MB of memory in use. ENERGY: 410800 661.7672 1876.1822 1957.4942 105.3925 2.1215 -1095.2232 0.0000 0.0000 2702.8132 6210.5476 298.5333 3507.7344 6242.2608 300.7017 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: 1668.89, 0.00391596/step Wall: 1668.89, 0.00391596/step, 2.27234 hours remaining, 111.324219 MB of memory in use. ENERGY: 411000 690.0861 1856.1520 1971.8206 114.5029 2.5610 -1086.4583 0.0000 0.0000 2722.7272 6271.3915 300.7328 3548.6643 6304.9646 299.9522 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: 1669.68, 0.00392347/step Wall: 1669.68, 0.00392347/step, 2.27648 hours remaining, 111.324219 MB of memory in use. ENERGY: 411200 649.1361 1905.2936 1998.0954 100.8503 2.0133 -1077.9032 0.0000 0.0000 2685.1694 6262.6549 296.5844 3577.4856 6297.0818 302.2914 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: 1670.46, 0.00392414/step Wall: 1670.46, 0.00392414/step, 2.27666 hours remaining, 111.324219 MB of memory in use. ENERGY: 411400 634.7697 1899.8919 1960.0792 96.8401 2.9996 -1082.3280 0.0000 0.0000 2769.7744 6282.0268 305.9293 3512.2524 6314.1624 302.7071 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: 1671.25, 0.00392385/step Wall: 1671.25, 0.00392385/step, 2.27627 hours remaining, 111.324219 MB of memory in use. ENERGY: 411600 644.5687 1865.8310 1959.8924 105.8305 1.7127 -1100.4338 0.0000 0.0000 2756.1520 6233.5535 304.4247 3477.4016 6267.9102 302.6876 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: 1672.03, 0.00391759/step Wall: 1672.03, 0.00391759/step, 2.27242 hours remaining, 111.324219 MB of memory in use. ENERGY: 411800 651.7354 1872.9929 1940.3200 100.6839 2.2781 -1070.4307 0.0000 0.0000 2763.0907 6260.6702 305.1911 3497.5795 6293.8209 301.7185 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: 1672.82, 0.00392303/step Wall: 1672.82, 0.00392303/step, 2.27536 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 412000 674.2048 1825.0134 1946.2821 93.2159 1.6231 -1083.1770 0.0000 0.0000 2815.9113 6273.0736 311.0252 3457.1623 6311.5728 302.4544 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: 1673.6, 0.00392341/step Wall: 1673.6, 0.00392341/step, 2.27536 hours remaining, 111.324219 MB of memory in use. ENERGY: 412200 664.0137 1799.6567 1980.2725 96.7360 3.3767 -1025.0064 0.0000 0.0000 2738.0809 6257.1300 302.4287 3519.0492 6291.3808 301.4661 LDB: ============= START OF LOAD BALANCING ============== 1676.3 LDB: ============== END OF LOAD BALANCING =============== 1676.3 LDB: =============== DONE WITH MIGRATION ================ 1676.3 LDB: ============= START OF LOAD BALANCING ============== 1676.69 LDB: ============== END OF LOAD BALANCING =============== 1676.69 LDB: =============== DONE WITH MIGRATION ================ 1676.69 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: 1674.39, 0.00392802/step Wall: 1674.39, 0.00392802/step, 2.27782 hours remaining, 111.324219 MB of memory in use. ENERGY: 412400 646.3557 1797.3917 2004.4005 112.6869 2.3174 -1062.4236 0.0000 0.0000 2722.3036 6223.0322 300.6860 3500.7286 6258.7514 300.8470 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: 1675.17, 0.0039219/step Wall: 1675.17, 0.0039219/step, 2.27405 hours remaining, 111.324219 MB of memory in use. ENERGY: 412600 662.0302 1864.4422 1967.3173 101.3779 2.2233 -1065.6235 0.0000 0.0000 2684.3831 6216.1506 296.4976 3531.7674 6247.0769 299.7602 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: 1675.95, 0.00391709/step Wall: 1675.95, 0.00391709/step, 2.27104 hours remaining, 111.324219 MB of memory in use. ENERGY: 412800 597.0190 1882.6004 1992.6236 111.5944 2.3048 -1065.7358 0.0000 0.0000 2688.8742 6209.2807 296.9936 3520.4065 6243.6838 299.1284 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: 1676.74, 0.00392547/step Wall: 1676.74, 0.00392547/step, 2.27568 hours remaining, 111.324219 MB of memory in use. ENERGY: 413000 688.8055 1870.7241 1971.8542 111.7151 3.7188 -1082.8553 0.0000 0.0000 2680.3541 6244.3165 296.0526 3563.9624 6274.0536 299.2615 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: 1677.52, 0.00392997/step Wall: 1677.52, 0.00392997/step, 2.27807 hours remaining, 111.324219 MB of memory in use. ENERGY: 413200 636.0536 1901.0643 1967.7793 114.1401 2.6242 -1115.5548 0.0000 0.0000 2718.9793 6225.0860 300.3188 3506.1067 6256.8074 300.7521 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: 1678.31, 0.00392234/step Wall: 1678.31, 0.00392234/step, 2.27343 hours remaining, 111.324219 MB of memory in use. ENERGY: 413400 639.6673 1860.6715 1947.5506 108.7423 3.5498 -1061.5750 0.0000 0.0000 2751.4356 6250.0422 303.9037 3498.6066 6282.7198 302.4849 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: 1679.09, 0.0039228/step Wall: 1679.09, 0.0039228/step, 2.27348 hours remaining, 111.324219 MB of memory in use. ENERGY: 413600 678.5161 1869.5465 1982.4182 113.3223 2.4787 -1110.8012 0.0000 0.0000 2720.8691 6256.3498 300.5276 3535.4807 6287.0021 302.3716 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: 1679.88, 0.00391691/step Wall: 1679.88, 0.00391691/step, 2.26985 hours remaining, 111.324219 MB of memory in use. ENERGY: 413800 638.7221 1839.9355 1971.1223 115.8165 2.7333 -1065.8566 0.0000 0.0000 2720.7732 6223.2463 300.5170 3502.4731 6257.1934 300.0873 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: 1680.66, 0.00392449/step Wall: 1680.66, 0.00392449/step, 2.27402 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 414000 635.0415 1853.1633 1984.2266 106.3968 2.6808 -1083.8648 0.0000 0.0000 2711.3127 6208.9569 299.4720 3497.6442 6241.3820 298.8506 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: 1681.45, 0.00392228/step Wall: 1681.45, 0.00392228/step, 2.27253 hours remaining, 111.324219 MB of memory in use. ENERGY: 414200 650.4962 1841.3318 1989.2855 102.0204 1.8913 -1082.5513 0.0000 0.0000 2745.4197 6247.8936 303.2393 3502.4739 6283.4622 301.0660 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: 1682.23, 0.00392183/step Wall: 1682.23, 0.00392183/step, 2.27205 hours remaining, 111.324219 MB of memory in use. ENERGY: 414400 695.8223 1842.7326 2016.4132 116.4160 2.4501 -1087.8040 0.0000 0.0000 2672.3452 6258.3755 295.1680 3586.0302 6289.7260 303.3998 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: 1683.01, 0.00391799/step Wall: 1683.01, 0.00391799/step, 2.2696 hours remaining, 111.324219 MB of memory in use. ENERGY: 414600 693.8301 1830.1869 1999.8139 114.3608 2.2422 -1089.9625 0.0000 0.0000 2709.4992 6259.9706 299.2717 3550.4714 6291.0463 302.7836 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: 1685.41, 0.0119909/step Wall: 1685.41, 0.0119909/step, 6.94542 hours remaining, 111.324219 MB of memory in use. ENERGY: 414800 686.6146 1796.2678 1990.3987 115.4200 2.3121 -1072.6378 0.0000 0.0000 2734.6570 6253.0323 302.0505 3518.3754 6286.9944 302.8857 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: 1686.2, 0.00395055/step Wall: 1686.2, 0.00395055/step, 2.28803 hours remaining, 111.324219 MB of memory in use. ENERGY: 415000 660.6181 1846.4507 1999.8160 126.1920 2.7051 -1086.6414 0.0000 0.0000 2749.0151 6298.1556 303.6364 3549.1405 6330.4256 302.4050 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: 1686.99, 0.00391981/step Wall: 1686.99, 0.00391981/step, 2.27001 hours remaining, 111.324219 MB of memory in use. ENERGY: 415200 672.5097 1810.6811 1976.9393 101.6721 4.4751 -1044.8714 0.0000 0.0000 2756.3899 6277.7959 304.4509 3521.4060 6311.4743 303.3192 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: 1687.77, 0.00392209/step Wall: 1687.77, 0.00392208/step, 2.2711 hours remaining, 111.324219 MB of memory in use. ENERGY: 415400 640.4802 1871.5000 1994.0113 116.8733 4.4063 -1088.5436 0.0000 0.0000 2699.1660 6237.8935 298.1304 3538.7274 6269.0944 300.6902 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: 1688.56, 0.0039212/step Wall: 1688.56, 0.00392121/step, 2.27038 hours remaining, 111.324219 MB of memory in use. ENERGY: 415600 673.7555 1862.2236 1969.0414 118.7046 3.7180 -1112.2797 0.0000 0.0000 2691.6618 6206.8253 297.3015 3515.1635 6239.0827 297.8947 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: 1689.34, 0.00392115/step Wall: 1689.34, 0.00392115/step, 2.27013 hours remaining, 111.324219 MB of memory in use. ENERGY: 415800 691.5946 1909.0996 1966.9714 99.0029 3.5233 -1133.5458 0.0000 0.0000 2692.1419 6228.7878 297.3546 3536.6459 6260.8971 299.3292 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: 1690.12, 0.00392213/step Wall: 1690.12, 0.00392213/step, 2.27048 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 416000 649.6351 1851.7293 1925.0988 97.7891 3.6274 -1043.1085 0.0000 0.0000 2729.5724 6214.3436 301.4889 3484.7711 6247.4268 301.0319 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: 1690.91, 0.00391718/step Wall: 1690.91, 0.00391718/step, 2.26739 hours remaining, 111.324219 MB of memory in use. ENERGY: 416200 667.8612 1821.4479 1954.3243 104.2583 3.7637 -1075.2516 0.0000 0.0000 2771.2615 6247.6654 306.0935 3476.4039 6282.9386 301.9581 LDB: ============= START OF LOAD BALANCING ============== 1693.61 LDB: ============== END OF LOAD BALANCING =============== 1693.61 LDB: =============== DONE WITH MIGRATION ================ 1693.61 LDB: ============= START OF LOAD BALANCING ============== 1694 LDB: ============== END OF LOAD BALANCING =============== 1694 LDB: =============== DONE WITH MIGRATION ================ 1694 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: 1691.69, 0.0039259/step Wall: 1691.69, 0.0039259/step, 2.27222 hours remaining, 111.324219 MB of memory in use. ENERGY: 416400 700.8925 1883.8810 1957.0772 108.2275 2.6078 -1112.8626 0.0000 0.0000 2720.7293 6260.5527 300.5121 3539.8234 6293.0086 301.1042 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: 1692.48, 0.00392259/step Wall: 1692.48, 0.00392259/step, 2.27009 hours remaining, 111.324219 MB of memory in use. ENERGY: 416600 657.8592 1908.6896 1968.4252 114.9802 2.8101 -1049.1388 0.0000 0.0000 2720.5063 6324.1316 300.4875 3603.6253 6357.7727 301.6751 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: 1693.26, 0.00392173/step Wall: 1693.26, 0.00392173/step, 2.26937 hours remaining, 111.324219 MB of memory in use. ENERGY: 416800 691.6085 1846.8762 1994.3080 107.3524 3.3144 -1098.7406 0.0000 0.0000 2746.3067 6291.0255 303.3372 3544.7189 6321.8041 304.5921 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: 1694.04, 0.00391692/step Wall: 1694.04, 0.00391692/step, 2.26638 hours remaining, 111.324219 MB of memory in use. ENERGY: 417000 682.9604 1853.5614 1967.5990 105.4183 2.8151 -1073.4883 0.0000 0.0000 2768.8643 6307.7302 305.8288 3538.8659 6340.2969 303.8308 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: 1694.83, 0.00392208/step Wall: 1694.83, 0.00392208/step, 2.26914 hours remaining, 111.324219 MB of memory in use. ENERGY: 417200 654.2041 1851.8046 1966.3834 104.3087 2.6798 -1047.8425 0.0000 0.0000 2768.7738 6300.3120 305.8188 3531.5382 6332.8358 303.8998 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: 1695.61, 0.00392258/step Wall: 1695.61, 0.00392258/step, 2.26921 hours remaining, 111.324219 MB of memory in use. ENERGY: 417400 611.1136 1880.3246 1961.7689 114.4659 2.0193 -1019.8488 0.0000 0.0000 2732.5131 6282.3565 301.8137 3549.8434 6312.8048 302.8183 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: 1696.4, 0.00392371/step Wall: 1696.4, 0.00392371/step, 2.26965 hours remaining, 111.324219 MB of memory in use. ENERGY: 417600 693.0966 1872.2262 1963.9990 111.3105 3.3307 -1094.7796 0.0000 0.0000 2705.2368 6254.4203 298.8009 3549.1834 6284.2837 302.7965 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: 1697.18, 0.00392353/step Wall: 1697.18, 0.00392353/step, 2.26933 hours remaining, 111.324219 MB of memory in use. ENERGY: 417800 638.3620 1892.4667 1970.1781 107.6114 4.1439 -1064.4073 0.0000 0.0000 2701.0548 6249.4096 298.3390 3548.3548 6280.1329 302.4755 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: 1697.97, 0.00391819/step Wall: 1697.97, 0.00391819/step, 2.26602 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 418000 657.6880 1823.7849 1952.9737 113.2791 3.0962 -1079.8028 0.0000 0.0000 2799.6314 6270.6504 309.2271 3471.0190 6305.5610 301.3644 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: 1698.75, 0.0039246/step Wall: 1698.75, 0.0039246/step, 2.26951 hours remaining, 111.324219 MB of memory in use. ENERGY: 418200 654.0652 1900.3673 1985.8836 111.7942 3.5642 -1101.0001 0.0000 0.0000 2704.6177 6259.2922 298.7326 3554.6744 6291.7849 301.4517 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: 1699.54, 0.00392252/step Wall: 1699.54, 0.00392252/step, 2.26809 hours remaining, 111.324219 MB of memory in use. ENERGY: 418400 637.6482 1854.6161 2014.8423 106.8711 3.3664 -1084.5648 0.0000 0.0000 2764.7517 6297.5309 305.3745 3532.7792 6332.0148 303.8292 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: 1700.32, 0.0039221/step Wall: 1700.32, 0.0039221/step, 2.26763 hours remaining, 111.324219 MB of memory in use. ENERGY: 418600 637.2430 1880.2451 1997.4474 133.7369 2.7834 -1076.0595 0.0000 0.0000 2681.4672 6256.8635 296.1755 3575.3963 6288.8299 301.9128 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: 1701.1, 0.003917/step Wall: 1701.1, 0.003917/step, 2.26446 hours remaining, 111.324219 MB of memory in use. ENERGY: 418800 637.2020 1871.0114 1983.6475 104.6440 1.7750 -1111.4165 0.0000 0.0000 2758.2195 6245.0828 304.6530 3486.8633 6278.8891 300.6683 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: 1701.89, 0.00392415/step Wall: 1701.89, 0.00392415/step, 2.26838 hours remaining, 111.324219 MB of memory in use. ENERGY: 419000 649.0999 1866.5000 1980.4261 104.7815 2.7129 -1080.6660 0.0000 0.0000 2675.9991 6198.8535 295.5715 3522.8545 6231.0972 300.3978 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: 1702.67, 0.00392367/step Wall: 1702.67, 0.00392367/step, 2.26788 hours remaining, 111.324219 MB of memory in use. ENERGY: 419200 647.4800 1849.6871 1964.8735 94.5984 1.7366 -1066.2079 0.0000 0.0000 2683.7961 6175.9639 296.4328 3492.1678 6211.1960 295.9525 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: 1703.46, 0.00392352/step Wall: 1703.46, 0.00392352/step, 2.26757 hours remaining, 111.324219 MB of memory in use. ENERGY: 419400 643.2452 1837.7710 1990.6319 104.7731 2.6600 -1063.7177 0.0000 0.0000 2719.0233 6234.3867 300.3237 3515.3634 6271.3253 297.3347 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: 1704.24, 0.0039216/step Wall: 1704.24, 0.0039216/step, 2.26625 hours remaining, 111.324219 MB of memory in use. ENERGY: 419600 660.2572 1817.3698 1962.3023 118.3374 1.9291 -1049.8417 0.0000 0.0000 2767.3273 6277.6813 305.6590 3510.3540 6308.8529 300.8383 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: 1705.03, 0.00391868/step Wall: 1705.03, 0.00391868/step, 2.26434 hours remaining, 111.324219 MB of memory in use. ENERGY: 419800 670.4866 1889.7571 1961.2079 102.1180 4.2093 -1062.3312 0.0000 0.0000 2741.3422 6306.7898 302.7889 3565.4477 6341.7041 303.9561 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: 1705.81, 0.00392503/step Wall: 1705.81, 0.00392503/step, 2.26779 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 420000 659.0358 1878.1455 1965.5046 105.3872 2.1176 -1100.4604 0.0000 0.0000 2751.8642 6261.5943 303.9511 3509.7301 6293.0610 303.8550 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 420000 WRITING COORDINATES TO DCD FILE MD.1.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: 1713, 0.0359296/step Wall: 1713, 0.0359296/step, 20.7573 hours remaining, 111.324219 MB of memory in use. ENERGY: 420200 640.0109 1838.0390 1991.1714 102.8341 2.5922 -1099.1625 0.0000 0.0000 2710.9675 6186.4526 299.4339 3475.4851 6220.0110 300.7295 LDB: ============= START OF LOAD BALANCING ============== 1715.7 LDB: ============== END OF LOAD BALANCING =============== 1715.7 LDB: =============== DONE WITH MIGRATION ================ 1715.7 LDB: ============= START OF LOAD BALANCING ============== 1716.09 LDB: ============== END OF LOAD BALANCING =============== 1716.09 LDB: =============== DONE WITH MIGRATION ================ 1716.09 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: 1713.78, 0.00392281/step Wall: 1713.78, 0.00392281/step, 2.26608 hours remaining, 111.324219 MB of memory in use. ENERGY: 420400 629.5792 1820.5787 1975.5975 110.0294 1.2942 -1095.1584 0.0000 0.0000 2703.6608 6145.5814 298.6269 3441.9206 6176.7137 297.9294 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: 1714.57, 0.00392102/step Wall: 1714.57, 0.00392102/step, 2.26483 hours remaining, 111.324219 MB of memory in use. ENERGY: 420600 648.1747 1816.8858 1983.8945 100.8866 2.0682 -1110.3097 0.0000 0.0000 2705.3720 6146.9721 298.8159 3441.6001 6179.5867 296.1333 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: 1715.35, 0.00391734/step Wall: 1715.35, 0.00391734/step, 2.26248 hours remaining, 111.324219 MB of memory in use. ENERGY: 420800 669.5354 1871.1954 1936.1579 98.1122 2.4068 -1065.4298 0.0000 0.0000 2647.5576 6159.5355 292.4301 3511.9778 6192.5168 295.7401 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: 1716.13, 0.00391562/step Wall: 1716.13, 0.00391562/step, 2.26127 hours remaining, 111.324219 MB of memory in use. ENERGY: 421000 667.8763 1800.9809 1963.9877 123.3676 1.4636 -1091.5359 0.0000 0.0000 2676.7482 6142.8883 295.6543 3466.1400 6173.3063 295.2753 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: 1716.92, 0.00391846/step Wall: 1716.92, 0.00391845/step, 2.26269 hours remaining, 111.324219 MB of memory in use. ENERGY: 421200 644.2657 1892.6361 1970.8529 99.6167 2.7278 -1114.2301 0.0000 0.0000 2631.8785 6127.7475 290.6983 3495.8690 6156.1860 294.6193 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: 1717.7, 0.00392689/step Wall: 1717.7, 0.00392689/step, 2.26734 hours remaining, 111.324219 MB of memory in use. ENERGY: 421400 607.5865 1827.1930 1950.5003 100.9833 2.1320 -1087.1266 0.0000 0.0000 2722.0886 6123.3572 300.6623 3401.2687 6156.6415 295.9488 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: 1722.37, 0.023333/step Wall: 1722.37, 0.023333/step, 13.4709 hours remaining, 111.324219 MB of memory in use. ENERGY: 421600 659.3209 1818.5509 1965.9073 97.5321 1.5612 -1088.2009 0.0000 0.0000 2659.2376 6113.9091 293.7202 3454.6715 6148.2805 296.2091 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: 1723.17, 0.00399767/step Wall: 1723.17, 0.00399767/step, 2.30777 hours remaining, 111.324219 MB of memory in use. ENERGY: 421800 669.6206 1820.7354 1966.6585 108.3516 1.3864 -1076.7483 0.0000 0.0000 2684.2666 6174.2708 296.4847 3490.0042 6205.9596 295.7599 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: 1723.95, 0.00392143/step Wall: 1723.95, 0.00392143/step, 2.26354 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 422000 632.5687 1859.3413 1983.2978 123.3346 1.9114 -1070.0640 0.0000 0.0000 2696.3996 6226.7895 297.8248 3530.3898 6260.5597 297.5129 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: 1724.74, 0.00392221/step Wall: 1724.74, 0.0039222/step, 2.26377 hours remaining, 111.324219 MB of memory in use. ENERGY: 422200 646.0524 1837.8730 1994.6586 123.6055 1.6508 -1062.1150 0.0000 0.0000 2714.6149 6256.3404 299.8368 3541.7255 6288.1369 300.8494 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: 1725.52, 0.00392159/step Wall: 1725.52, 0.0039216/step, 2.2632 hours remaining, 111.324219 MB of memory in use. ENERGY: 422400 665.3833 1847.5187 1972.3759 103.8129 1.4505 -1086.0301 0.0000 0.0000 2739.3568 6243.8679 302.5696 3504.5112 6273.5355 299.9752 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: 1726.31, 0.00392139/step Wall: 1726.31, 0.00392138/step, 2.26286 hours remaining, 111.324219 MB of memory in use. ENERGY: 422600 663.3458 1846.4245 1967.4423 104.9961 1.2038 -1058.7714 0.0000 0.0000 2732.8589 6257.5000 301.8519 3524.6411 6293.6027 300.0121 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: 1727.09, 0.00391641/step Wall: 1727.09, 0.00391642/step, 2.25977 hours remaining, 111.324219 MB of memory in use. ENERGY: 422800 639.0968 1810.5390 1975.8887 97.1100 1.3113 -1058.3995 0.0000 0.0000 2791.3047 6256.8509 308.3074 3465.5462 6293.3175 300.7144 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: 1727.87, 0.00392095/step Wall: 1727.87, 0.00392095/step, 2.26217 hours remaining, 111.324219 MB of memory in use. ENERGY: 423000 668.6522 1804.5948 1988.9243 110.9317 1.7887 -1064.4177 0.0000 0.0000 2690.6847 6201.1588 297.1936 3510.4740 6232.6752 297.9651 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: 1728.66, 0.00392264/step Wall: 1728.66, 0.00392264/step, 2.26293 hours remaining, 111.324219 MB of memory in use. ENERGY: 423200 630.4154 1814.7657 1944.0617 110.0217 2.1509 -1046.9409 0.0000 0.0000 2697.6277 6152.1021 297.9605 3454.4745 6185.8630 296.8866 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: 1729.44, 0.00392144/step Wall: 1729.44, 0.00392144/step, 2.26202 hours remaining, 111.324219 MB of memory in use. ENERGY: 423400 684.5962 1813.2729 1934.5731 116.2768 1.5924 -1093.7206 0.0000 0.0000 2667.9605 6124.5513 294.6837 3456.5908 6157.3907 294.3115 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: 1730.23, 0.00392097/step Wall: 1730.23, 0.00392097/step, 2.26153 hours remaining, 111.324219 MB of memory in use. ENERGY: 423600 680.6870 1831.7472 1977.2495 117.7577 2.3187 -1123.5964 0.0000 0.0000 2685.2341 6171.3978 296.5916 3486.1637 6201.8018 295.7470 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: 1731.01, 0.00391657/step Wall: 1731.01, 0.00391657/step, 2.25877 hours remaining, 111.324219 MB of memory in use. ENERGY: 423800 644.7205 1791.8079 1977.0089 96.8384 2.4974 -1056.1789 0.0000 0.0000 2698.4788 6155.1729 298.0545 3456.6941 6190.7044 295.5274 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: 1731.79, 0.00391989/step Wall: 1731.79, 0.00391989/step, 2.26047 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 424000 631.9623 1810.6570 1971.4880 102.2798 3.4947 -1056.0356 0.0000 0.0000 2768.8293 6232.6755 305.8249 3463.8462 6266.7885 297.9480 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: 1732.58, 0.00391988/step Wall: 1732.58, 0.00391988/step, 2.26025 hours remaining, 111.324219 MB of memory in use. ENERGY: 424200 640.5281 1873.6354 1972.7787 109.9779 2.0644 -1061.2785 0.0000 0.0000 2713.9967 6251.7028 299.7685 3537.7060 6282.5826 299.9206 LDB: ============= START OF LOAD BALANCING ============== 1735.28 LDB: ============== END OF LOAD BALANCING =============== 1735.28 LDB: =============== DONE WITH MIGRATION ================ 1735.28 LDB: ============= START OF LOAD BALANCING ============== 1735.67 LDB: ============== END OF LOAD BALANCING =============== 1735.67 LDB: =============== DONE WITH MIGRATION ================ 1735.67 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: 1733.36, 0.0039239/step Wall: 1733.36, 0.0039239/step, 2.26235 hours remaining, 111.324219 MB of memory in use. ENERGY: 424400 643.3016 1823.1090 2002.1881 117.7776 4.4146 -1063.7697 0.0000 0.0000 2731.1070 6258.1284 301.6584 3527.0213 6292.5552 300.9670 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: 1734.14, 0.00391531/step Wall: 1734.14, 0.00391531/step, 2.25717 hours remaining, 111.324219 MB of memory in use. ENERGY: 424600 658.3110 1819.6201 1964.1568 106.9983 1.4620 -1048.1260 0.0000 0.0000 2695.3369 6197.7590 297.7075 3502.4221 6230.0933 298.4677 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: 1734.93, 0.00392153/step Wall: 1734.93, 0.00392153/step, 2.26054 hours remaining, 111.324219 MB of memory in use. ENERGY: 424800 683.3008 1810.3487 1947.1869 109.8101 2.1584 -1043.7718 0.0000 0.0000 2688.0908 6197.1240 296.9071 3509.0332 6226.9648 296.5918 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: 1735.71, 0.00392321/step Wall: 1735.71, 0.00392321/step, 2.2613 hours remaining, 111.324219 MB of memory in use. ENERGY: 425000 637.8605 1863.4609 1945.0718 110.6522 3.7791 -1038.3315 0.0000 0.0000 2639.9588 6162.4518 291.5908 3522.4930 6194.6845 297.2122 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: 1736.5, 0.00392042/step Wall: 1736.5, 0.00392042/step, 2.25947 hours remaining, 111.324219 MB of memory in use. ENERGY: 425200 615.7328 1881.9480 1960.4980 113.6367 3.3394 -1103.7190 0.0000 0.0000 2700.2909 6171.7268 298.2547 3471.4359 6206.1833 296.5524 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: 1737.28, 0.00391981/step Wall: 1737.28, 0.00391981/step, 2.2589 hours remaining, 111.324219 MB of memory in use. ENERGY: 425400 629.3291 1822.4680 1957.3640 119.7219 3.6167 -1056.3791 0.0000 0.0000 2715.3037 6191.4244 299.9129 3476.1206 6226.9247 298.3041 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: 1738.06, 0.00391652/step Wall: 1738.06, 0.00391652/step, 2.25679 hours remaining, 111.324219 MB of memory in use. ENERGY: 425600 596.6061 1861.9169 1948.8703 109.4373 2.1429 -1088.1963 0.0000 0.0000 2664.1448 6094.9221 294.2622 3430.7773 6126.2845 296.8717 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: 1738.85, 0.00392249/step Wall: 1738.85, 0.00392248/step, 2.26 hours remaining, 111.324219 MB of memory in use. ENERGY: 425800 628.3172 1760.5046 1955.1971 128.5361 2.4479 -1091.1664 0.0000 0.0000 2727.0730 6110.9095 301.2128 3383.8365 6141.4245 294.2075 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: 1739.63, 0.00392206/step Wall: 1739.63, 0.00392207/step, 2.25955 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 426000 669.7300 1842.5919 1953.5732 103.3727 1.5337 -1080.4301 0.0000 0.0000 2622.2019 6112.5732 289.6295 3490.3713 6141.5409 294.1603 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: 1740.42, 0.00392344/step Wall: 1740.42, 0.00392344/step, 2.26012 hours remaining, 111.324219 MB of memory in use. ENERGY: 426200 648.7134 1786.1510 1962.6483 104.0018 2.6070 -1077.0129 0.0000 0.0000 2612.0585 6039.1670 288.5091 3427.1086 6069.7000 292.6790 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: 1741.2, 0.00391783/step Wall: 1741.2, 0.00391783/step, 2.25667 hours remaining, 111.324219 MB of memory in use. ENERGY: 426400 675.6280 1832.9722 1932.7309 105.1919 2.6020 -1125.6162 0.0000 0.0000 2601.9518 6025.4606 287.3928 3423.5088 6056.4928 292.4289 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: 1741.99, 0.00392324/step Wall: 1741.99, 0.00392324/step, 2.25957 hours remaining, 111.324219 MB of memory in use. ENERGY: 426600 646.1034 1787.2820 1924.5098 116.2572 2.6696 -1088.5359 0.0000 0.0000 2663.9677 6052.2539 294.2427 3388.2861 6086.1603 290.0471 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: 1742.77, 0.00392242/step Wall: 1742.77, 0.00392242/step, 2.25888 hours remaining, 111.324219 MB of memory in use. ENERGY: 426800 668.1617 1869.2695 1955.8588 109.8127 2.2458 -1095.7581 0.0000 0.0000 2621.0365 6130.6268 289.5008 3509.5903 6159.9818 292.5719 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: 1743.56, 0.00392363/step Wall: 1743.56, 0.00392363/step, 2.25936 hours remaining, 111.324219 MB of memory in use. ENERGY: 427000 627.1627 1829.7793 1962.4278 108.1774 2.3362 -1113.6413 0.0000 0.0000 2691.2516 6107.4936 297.2562 3416.2420 6143.0049 296.4930 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: 1744.34, 0.00392256/step Wall: 1744.34, 0.00392256/step, 2.25852 hours remaining, 111.324219 MB of memory in use. ENERGY: 427200 635.0042 1838.4272 1937.2052 109.7735 3.3680 -1096.8118 0.0000 0.0000 2695.7843 6122.7507 297.7569 3426.9665 6154.7031 295.5140 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: 1745.13, 0.0039299/step Wall: 1745.13, 0.0039299/step, 2.26253 hours remaining, 111.324219 MB of memory in use. ENERGY: 427400 648.2791 1836.2199 1959.8929 104.5599 2.4318 -1092.0437 0.0000 0.0000 2707.9104 6167.2503 299.0963 3459.3398 6198.3972 297.0761 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: 1745.91, 0.00392519/step Wall: 1745.91, 0.00392519/step, 2.2596 hours remaining, 111.324219 MB of memory in use. ENERGY: 427600 649.7631 1808.1849 1939.9580 105.3671 1.4032 -1059.2004 0.0000 0.0000 2703.1987 6148.6746 298.5758 3445.4758 6183.8454 295.2475 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: 1746.7, 0.00392535/step Wall: 1746.7, 0.00392535/step, 2.25947 hours remaining, 111.324219 MB of memory in use. ENERGY: 427800 646.5195 1806.5523 1944.5587 112.6760 2.1905 -1048.6581 0.0000 0.0000 2735.0401 6198.8789 302.0928 3463.8388 6233.4772 298.3163 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: 1747.48, 0.00392371/step Wall: 1747.48, 0.00392371/step, 2.25831 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 428000 655.2573 1820.0856 1965.1342 108.1842 2.3144 -1063.5606 0.0000 0.0000 2721.6755 6209.0907 300.6166 3487.4152 6241.3643 298.6697 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: 1748.27, 0.00392323/step Wall: 1748.27, 0.00392323/step, 2.25782 hours remaining, 111.324219 MB of memory in use. ENERGY: 428200 658.3067 1833.6312 1931.7531 105.9230 1.8482 -1090.1056 0.0000 0.0000 2717.4288 6158.7854 300.1476 3441.3566 6192.7272 296.7432 LDB: ============= START OF LOAD BALANCING ============== 1750.97 LDB: ============== END OF LOAD BALANCING =============== 1750.97 LDB: =============== DONE WITH MIGRATION ================ 1750.97 LDB: ============= START OF LOAD BALANCING ============== 1751.36 LDB: ============== END OF LOAD BALANCING =============== 1751.36 LDB: =============== DONE WITH MIGRATION ================ 1751.36 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: 1749.05, 0.00392344/step Wall: 1749.05, 0.00392344/step, 2.25772 hours remaining, 111.324219 MB of memory in use. ENERGY: 428400 673.3094 1814.8952 1957.7228 106.7772 2.4227 -1067.4912 0.0000 0.0000 2675.9831 6163.6192 295.5698 3487.6361 6191.8346 297.2954 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: 1749.84, 0.00392364/step Wall: 1749.84, 0.00392364/step, 2.25762 hours remaining, 111.324219 MB of memory in use. ENERGY: 428600 666.3168 1837.8051 1961.2636 111.8027 2.9457 -1100.1554 0.0000 0.0000 2681.3981 6161.3767 296.1679 3479.9786 6196.0539 297.4722 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: 1750.62, 0.00392398/step Wall: 1750.62, 0.00392399/step, 2.2576 hours remaining, 111.324219 MB of memory in use. ENERGY: 428800 599.9322 1871.5636 1942.4079 122.4407 2.1385 -1094.1009 0.0000 0.0000 2652.4221 6096.8041 292.9674 3444.3820 6129.1107 293.9535 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: 1751.41, 0.00392448/step Wall: 1751.41, 0.00392447/step, 2.25766 hours remaining, 111.324219 MB of memory in use. ENERGY: 429000 600.4482 1854.4561 1952.2082 121.4003 1.6451 -1066.2519 0.0000 0.0000 2666.9607 6130.8667 294.5732 3463.9060 6161.3288 293.7142 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: 1752.19, 0.00391765/step Wall: 1752.19, 0.00391765/step, 2.25352 hours remaining, 111.324219 MB of memory in use. ENERGY: 429200 638.1914 1862.9448 1964.2419 95.4352 1.5377 -1096.2148 0.0000 0.0000 2598.1891 6064.3253 286.9772 3466.1361 6095.1932 292.7076 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: 1752.97, 0.00392561/step Wall: 1752.97, 0.00392562/step, 2.25789 hours remaining, 111.324219 MB of memory in use. ENERGY: 429400 610.5848 1819.5147 1979.6765 98.7572 3.3712 -1055.2409 0.0000 0.0000 2634.9611 6091.6244 291.0388 3456.6634 6120.8354 291.9768 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: 1753.76, 0.00392625/step Wall: 1753.76, 0.00392625/step, 2.25803 hours remaining, 111.324219 MB of memory in use. ENERGY: 429600 631.9586 1867.3176 1943.6769 108.1292 2.8536 -1058.5616 0.0000 0.0000 2707.4003 6202.7746 299.0399 3495.3743 6234.7324 296.0431 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: 1754.54, 0.00392384/step Wall: 1754.54, 0.00392384/step, 2.25643 hours remaining, 111.324219 MB of memory in use. ENERGY: 429800 659.4988 1876.5936 1953.8242 94.0348 2.2776 -1089.2932 0.0000 0.0000 2713.8283 6210.7641 299.7499 3496.9358 6243.4686 299.7450 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: 1755.33, 0.0039245/step Wall: 1755.33, 0.0039245/step, 2.25659 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 430000 642.0006 1809.8618 1939.7627 94.7402 1.8623 -1012.8685 0.0000 0.0000 2668.2075 6143.5667 294.7110 3475.3592 6175.7439 297.5819 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 430000 WRITING COORDINATES TO DCD FILE MD.1.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: 1757.6, 0.0113783/step Wall: 1757.6, 0.0113783/step, 6.54187 hours remaining, 111.324219 MB of memory in use. ENERGY: 430200 677.1596 1833.1055 1933.2521 112.7189 2.7304 -1092.2000 0.0000 0.0000 2666.4354 6133.2020 294.5152 3466.7666 6165.1771 295.0739 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: 1758.39, 0.00392431/step Wall: 1758.39, 0.00392431/step, 2.25605 hours remaining, 111.324219 MB of memory in use. ENERGY: 430400 630.9464 1801.8819 1983.6682 98.8909 2.6184 -1042.0832 0.0000 0.0000 2625.8807 6101.8033 290.0358 3475.9227 6135.1362 295.8471 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: 1759.17, 0.00391714/step Wall: 1759.17, 0.00391714/step, 2.25171 hours remaining, 111.324219 MB of memory in use. ENERGY: 430600 591.0862 1787.7224 1959.8686 118.1045 3.2406 -1045.2194 0.0000 0.0000 2692.1850 6106.9880 297.3593 3414.8029 6140.0676 293.5760 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: 1759.96, 0.0039223/step Wall: 1759.96, 0.0039223/step, 2.25445 hours remaining, 111.324219 MB of memory in use. ENERGY: 430800 680.5644 1843.3619 1954.9076 110.7652 2.5013 -1102.8530 0.0000 0.0000 2716.2652 6205.5125 300.0191 3489.2473 6238.6515 296.6658 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: 1760.74, 0.00392292/step Wall: 1760.74, 0.00392292/step, 2.25459 hours remaining, 111.324219 MB of memory in use. ENERGY: 431000 651.3524 1873.8259 1966.2991 104.3210 1.3424 -1077.0740 0.0000 0.0000 2686.5549 6206.6216 296.7375 3520.0667 6238.2190 298.8266 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: 1761.53, 0.00392269/step Wall: 1761.53, 0.00392269/step, 2.25424 hours remaining, 111.324219 MB of memory in use. ENERGY: 431200 650.7238 1856.1608 1965.2482 103.0285 1.2929 -1075.7907 0.0000 0.0000 2730.0801 6230.7435 301.5450 3500.6634 6264.4567 300.8218 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: 1762.31, 0.00392325/step Wall: 1762.31, 0.00392325/step, 2.25434 hours remaining, 111.324219 MB of memory in use. ENERGY: 431400 656.1682 1826.2972 1982.9849 102.6695 3.3243 -1093.7025 0.0000 0.0000 2717.7937 6195.5354 300.1879 3477.7417 6229.9461 298.2595 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: 1763.09, 0.00391765/step Wall: 1763.09, 0.00391765/step, 2.2509 hours remaining, 111.324219 MB of memory in use. ENERGY: 431600 668.2632 1840.8779 1941.1994 111.4517 1.7499 -1097.0528 0.0000 0.0000 2767.3652 6233.8544 305.6632 3466.4892 6265.3233 298.9480 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: 1763.88, 0.00392393/step Wall: 1763.88, 0.00392394/step, 2.2543 hours remaining, 111.324219 MB of memory in use. ENERGY: 431800 643.3390 1884.3924 1970.4224 104.5404 2.6345 -1109.9809 0.0000 0.0000 2652.4957 6147.8436 292.9755 3495.3479 6179.9641 298.2323 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: 1764.66, 0.00392303/step Wall: 1764.66, 0.00392303/step, 2.25356 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 432000 637.8697 1880.7353 1947.8826 115.5279 2.1409 -1054.2330 0.0000 0.0000 2633.7973 6163.7207 290.9103 3529.9234 6196.5732 297.6640 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: 1765.45, 0.00392208/step Wall: 1765.45, 0.00392208/step, 2.2528 hours remaining, 111.324219 MB of memory in use. ENERGY: 432200 656.5130 1823.0286 1978.5499 116.2615 2.4813 -1111.9017 0.0000 0.0000 2669.7602 6134.6927 294.8824 3464.9325 6166.7268 296.2837 LDB: ============= START OF LOAD BALANCING ============== 1768.15 LDB: ============== END OF LOAD BALANCING =============== 1768.15 LDB: =============== DONE WITH MIGRATION ================ 1768.15 LDB: ============= START OF LOAD BALANCING ============== 1768.54 LDB: ============== END OF LOAD BALANCING =============== 1768.54 LDB: =============== DONE WITH MIGRATION ================ 1768.54 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: 1766.23, 0.00392088/step Wall: 1766.23, 0.00392088/step, 2.25189 hours remaining, 111.324219 MB of memory in use. ENERGY: 432400 644.9936 1849.8026 1953.3111 117.2082 3.3423 -1091.7577 0.0000 0.0000 2661.8815 6138.7817 294.0122 3476.9002 6167.3036 295.1377 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: 1767.02, 0.00392299/step Wall: 1767.02, 0.00392299/step, 2.25289 hours remaining, 111.324219 MB of memory in use. ENERGY: 432600 669.8554 1842.3965 1963.9374 107.1834 1.5716 -1119.3999 0.0000 0.0000 2646.5303 6112.0747 292.3166 3465.5444 6144.2284 295.8172 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: 1767.8, 0.00392199/step Wall: 1767.8, 0.00392199/step, 2.25209 hours remaining, 111.324219 MB of memory in use. ENERGY: 432800 630.6510 1870.9424 1957.7207 87.5325 3.9187 -1101.0817 0.0000 0.0000 2706.2627 6155.9462 298.9143 3449.6835 6190.2860 296.2813 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: 1768.59, 0.00392634/step Wall: 1768.59, 0.00392634/step, 2.25437 hours remaining, 111.324219 MB of memory in use. ENERGY: 433000 640.5904 1879.7653 1982.8481 104.7716 3.4435 -1122.4060 0.0000 0.0000 2696.3263 6185.3393 297.8167 3489.0130 6219.6413 297.7957 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: 1769.37, 0.00392265/step Wall: 1769.37, 0.00392265/step, 2.25204 hours remaining, 111.324219 MB of memory in use. ENERGY: 433200 676.3794 1809.1913 1962.9276 114.3901 2.3318 -1087.6488 0.0000 0.0000 2654.0124 6131.5838 293.1431 3477.5714 6162.4698 297.3018 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: 1770.15, 0.0039164/step Wall: 1770.15, 0.0039164/step, 2.24823 hours remaining, 111.324219 MB of memory in use. ENERGY: 433400 648.7703 1807.5947 1966.9643 101.4000 3.1323 -1065.5599 0.0000 0.0000 2636.1654 6098.4671 291.1718 3462.3017 6129.2207 293.8776 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: 1770.94, 0.00392296/step Wall: 1770.94, 0.00392296/step, 2.25178 hours remaining, 111.324219 MB of memory in use. ENERGY: 433600 652.8501 1839.5099 1960.5515 107.3035 2.7697 -1123.5015 0.0000 0.0000 2712.5387 6152.0218 299.6075 3439.4831 6183.9027 295.4194 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: 1771.72, 0.00392166/step Wall: 1771.72, 0.00392165/step, 2.25081 hours remaining, 111.324219 MB of memory in use. ENERGY: 433800 642.3445 1863.9203 1984.7381 123.2941 2.8866 -1110.1066 0.0000 0.0000 2686.4158 6193.4928 296.7221 3507.0770 6225.6133 298.1517 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: 1772.51, 0.00392172/step Wall: 1772.51, 0.00392172/step, 2.25063 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 434000 652.1919 1827.3796 1992.4786 116.9934 2.2879 -1067.0469 0.0000 0.0000 2613.7750 6138.0594 288.6987 3524.2845 6170.8648 297.0867 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: 1773.29, 0.00392041/step Wall: 1773.29, 0.00392041/step, 2.24966 hours remaining, 111.324219 MB of memory in use. ENERGY: 434200 630.8622 1835.1176 1977.8937 110.1903 2.8653 -1077.4284 0.0000 0.0000 2681.0209 6160.5217 296.1262 3479.5008 6195.0121 296.1506 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: 1774.08, 0.00391803/step Wall: 1774.08, 0.00391803/step, 2.24808 hours remaining, 111.324219 MB of memory in use. ENERGY: 434400 660.4324 1896.1576 1984.6367 100.7615 2.3875 -1092.7606 0.0000 0.0000 2646.8103 6198.4255 292.3476 3551.6152 6229.3661 295.2930 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: 1774.86, 0.00392376/step Wall: 1774.86, 0.00392376/step, 2.25115 hours remaining, 111.324219 MB of memory in use. ENERGY: 434600 670.5290 1875.8743 1965.6855 109.0149 2.4251 -1140.2412 0.0000 0.0000 2731.8279 6215.1155 301.7380 3483.2875 6245.6057 297.4467 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: 1775.64, 0.00392277/step Wall: 1775.64, 0.00392277/step, 2.25037 hours remaining, 111.324219 MB of memory in use. ENERGY: 434800 677.5509 1852.8182 1949.8088 111.5450 0.9968 -1111.3004 0.0000 0.0000 2697.8154 6179.2347 297.9812 3481.4192 6211.5611 299.7114 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: 1776.43, 0.00392523/step Wall: 1776.43, 0.00392523/step, 2.25155 hours remaining, 111.324219 MB of memory in use. ENERGY: 435000 636.9719 1830.9558 1954.7625 119.2194 1.5238 -1095.8625 0.0000 0.0000 2675.6761 6123.2471 295.5359 3447.5710 6157.7713 296.6201 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: 1777.21, 0.00391802/step Wall: 1777.21, 0.00391802/step, 2.2472 hours remaining, 111.324219 MB of memory in use. ENERGY: 435200 668.2237 1859.6639 1948.1821 106.7330 1.3242 -1094.3315 0.0000 0.0000 2674.8667 6164.6621 295.4465 3489.7954 6199.0696 294.3441 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: 1778, 0.00392275/step Wall: 1778, 0.00392275/step, 2.2497 hours remaining, 111.324219 MB of memory in use. ENERGY: 435400 681.3706 1839.1443 1960.3254 100.0935 3.0531 -1109.1841 0.0000 0.0000 2697.2047 6172.0075 297.9138 3474.8028 6205.5716 297.4622 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: 1778.78, 0.00392461/step Wall: 1778.78, 0.0039246/step, 2.25054 hours remaining, 111.324219 MB of memory in use. ENERGY: 435600 645.7770 1867.0970 1987.5685 100.0874 2.5100 -1119.0973 0.0000 0.0000 2688.7112 6172.6539 296.9756 3483.9426 6204.6468 299.2165 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: 1779.57, 0.003924/step Wall: 1779.57, 0.003924/step, 2.24998 hours remaining, 111.324219 MB of memory in use. ENERGY: 435800 662.2060 1820.3584 1983.1155 108.2355 2.4399 -1114.2484 0.0000 0.0000 2708.9904 6171.0973 299.2155 3462.1070 6204.2712 298.5645 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: 1780.35, 0.00392533/step Wall: 1780.35, 0.00392533/step, 2.25052 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 436000 647.1083 1860.8188 1961.0967 103.8952 3.3887 -1097.5459 0.0000 0.0000 2714.5121 6193.2738 299.8254 3478.7616 6227.1495 298.7238 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: 1781.14, 0.00391932/step Wall: 1781.14, 0.00391932/step, 2.24686 hours remaining, 111.324219 MB of memory in use. ENERGY: 436200 649.8046 1921.1028 1960.3265 111.5541 1.9629 -1075.6790 0.0000 0.0000 2673.4612 6242.5331 295.2912 3569.0719 6271.0741 299.4069 LDB: ============= START OF LOAD BALANCING ============== 1783.84 LDB: ============== END OF LOAD BALANCING =============== 1783.84 LDB: =============== DONE WITH MIGRATION ================ 1783.84 LDB: ============= START OF LOAD BALANCING ============== 1784.23 LDB: ============== END OF LOAD BALANCING =============== 1784.23 LDB: =============== DONE WITH MIGRATION ================ 1784.23 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: 1781.92, 0.00392839/step Wall: 1781.92, 0.00392839/step, 2.25184 hours remaining, 111.324219 MB of memory in use. ENERGY: 436400 669.9915 1882.3260 1978.0723 104.5291 1.7430 -1087.6322 0.0000 0.0000 2700.9871 6250.0170 298.3316 3549.0299 6281.6160 302.6762 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: 1782.71, 0.00392585/step Wall: 1782.71, 0.00392585/step, 2.25017 hours remaining, 111.324219 MB of memory in use. ENERGY: 436600 664.5474 1882.6424 1920.8967 105.4887 2.6710 -1107.2082 0.0000 0.0000 2824.0281 6293.0660 311.9218 3469.0379 6327.6426 303.7227 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: 1783.49, 0.00392452/step Wall: 1783.49, 0.00392452/step, 2.24919 hours remaining, 111.324219 MB of memory in use. ENERGY: 436800 686.6466 1882.7337 1954.6374 116.6492 2.4136 -1066.5527 0.0000 0.0000 2672.9052 6249.4331 295.2298 3576.5279 6280.4543 303.4225 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: 1784.28, 0.00391836/step Wall: 1784.28, 0.00391836/step, 2.24544 hours remaining, 111.324219 MB of memory in use. ENERGY: 437000 638.4782 1850.9191 1952.2259 103.9754 2.1348 -1069.7702 0.0000 0.0000 2748.7817 6226.7448 303.6106 3477.9632 6260.5644 301.4442 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: 1785.06, 0.00392425/step Wall: 1785.06, 0.00392425/step, 2.2486 hours remaining, 111.324219 MB of memory in use. ENERGY: 437200 637.2169 1828.7498 1947.5419 110.1145 1.2653 -1101.3019 0.0000 0.0000 2730.6391 6154.2254 301.6067 3423.5863 6187.0410 300.2818 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: 1785.85, 0.00392292/step Wall: 1785.85, 0.00392292/step, 2.24762 hours remaining, 111.324219 MB of memory in use. ENERGY: 437400 659.2636 1868.2650 1933.9312 112.0330 1.6680 -1091.3962 0.0000 0.0000 2738.8637 6222.6284 302.5151 3483.7647 6257.0410 298.4321 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: 1786.63, 0.00392603/step Wall: 1786.63, 0.00392603/step, 2.24918 hours remaining, 111.324219 MB of memory in use. ENERGY: 437600 649.8463 1830.0265 1957.2416 113.6739 1.2025 -1097.8413 0.0000 0.0000 2782.1589 6236.3084 307.2972 3454.1495 6267.7276 303.2776 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: 1787.42, 0.00392321/step Wall: 1787.42, 0.00392321/step, 2.24735 hours remaining, 111.324219 MB of memory in use. ENERGY: 437800 650.1968 1890.5388 1945.1230 113.3827 0.8146 -1098.9038 0.0000 0.0000 2730.8680 6232.0201 301.6320 3501.1521 6263.5854 301.8316 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: 1788.2, 0.00391837/step Wall: 1788.2, 0.00391837/step, 2.24435 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 438000 651.3312 1868.6751 1965.4070 116.6818 0.6144 -1091.9628 0.0000 0.0000 2704.0927 6214.8394 298.6746 3510.7466 6245.8374 301.8176 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: 1788.98, 0.0039252/step Wall: 1788.98, 0.0039252/step, 2.24805 hours remaining, 111.324219 MB of memory in use. ENERGY: 438200 676.0926 1870.3320 1941.3138 106.9114 1.3136 -1098.5955 0.0000 0.0000 2710.7459 6208.1138 299.4094 3497.3679 6240.9342 300.2415 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: 1789.77, 0.00392413/step Wall: 1789.77, 0.00392413/step, 2.24722 hours remaining, 111.324219 MB of memory in use. ENERGY: 438400 667.5425 1853.8852 1914.0632 105.3902 1.3353 -1087.5989 0.0000 0.0000 2694.9648 6149.5824 297.6664 3454.6175 6184.5070 298.6725 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: 1790.55, 0.00392379/step Wall: 1790.55, 0.00392379/step, 2.24681 hours remaining, 111.324219 MB of memory in use. ENERGY: 438600 639.6201 1817.2621 1971.3756 115.0504 2.8339 -1098.8425 0.0000 0.0000 2700.2710 6147.5706 298.2524 3447.2997 6181.1159 295.7868 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: 1791.34, 0.00392357/step Wall: 1791.34, 0.00392357/step, 2.24646 hours remaining, 111.324219 MB of memory in use. ENERGY: 438800 664.6576 1876.6178 1969.7815 108.9099 2.9468 -1125.4431 0.0000 0.0000 2662.4753 6159.9459 294.0778 3497.4706 6189.9231 297.2819 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: 1792.12, 0.00391852/step Wall: 1792.12, 0.00391852/step, 2.24336 hours remaining, 111.324219 MB of memory in use. ENERGY: 439000 632.2009 1832.9704 1923.9022 104.6397 2.3682 -1081.0273 0.0000 0.0000 2745.1014 6160.1554 303.2041 3415.0541 6194.3990 297.0701 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: 1792.91, 0.00392519/step Wall: 1792.91, 0.00392519/step, 2.24695 hours remaining, 111.324219 MB of memory in use. ENERGY: 439200 662.2927 1832.2417 1960.1915 102.3371 2.5628 -1100.8260 0.0000 0.0000 2725.7192 6184.5190 301.0633 3458.7998 6218.7884 298.6168 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: 1793.69, 0.00392351/step Wall: 1793.69, 0.00392351/step, 2.24577 hours remaining, 111.324219 MB of memory in use. ENERGY: 439400 663.3122 1855.9506 1964.9671 109.2423 2.2877 -1110.7067 0.0000 0.0000 2758.0436 6243.0969 304.6336 3485.0532 6276.8019 301.0551 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: 1794.48, 0.00392473/step Wall: 1794.48, 0.00392473/step, 2.24625 hours remaining, 111.324219 MB of memory in use. ENERGY: 439600 645.8044 1898.8001 1958.0536 117.7420 0.3932 -1068.8430 0.0000 0.0000 2685.6013 6237.5516 296.6321 3551.9503 6267.0383 302.7256 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: 1795.26, 0.00391854/step Wall: 1795.26, 0.00391854/step, 2.24249 hours remaining, 111.324219 MB of memory in use. ENERGY: 439800 673.7957 1880.8102 1962.3552 110.8608 1.7116 -1088.2825 0.0000 0.0000 2691.1017 6232.3527 297.2397 3541.2509 6265.7726 302.1606 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: 1796.04, 0.00392323/step Wall: 1796.04, 0.00392323/step, 2.24496 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 440000 641.8183 1843.8654 1972.3133 104.7125 2.4351 -1111.3707 0.0000 0.0000 2703.4053 6157.1793 298.5986 3453.7740 6188.3261 298.8222 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 440000 WRITING COORDINATES TO DCD FILE MD.1.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: 1796.87, 0.00414511/step Wall: 1796.87, 0.00414511/step, 2.37169 hours remaining, 111.324219 MB of memory in use. ENERGY: 440200 657.6161 1906.9186 1961.5106 111.0155 2.4985 -1121.7923 0.0000 0.0000 2658.5696 6176.3366 293.6464 3517.7670 6210.8154 297.4862 LDB: ============= START OF LOAD BALANCING ============== 1799.57 LDB: ============== END OF LOAD BALANCING =============== 1799.57 LDB: =============== DONE WITH MIGRATION ================ 1799.57 LDB: ============= START OF LOAD BALANCING ============== 1799.97 LDB: ============== END OF LOAD BALANCING =============== 1799.97 LDB: =============== DONE WITH MIGRATION ================ 1799.97 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: 1797.66, 0.00392761/step Wall: 1797.66, 0.00392761/step, 2.24703 hours remaining, 111.324219 MB of memory in use. ENERGY: 440400 620.5823 1825.2209 1990.7632 101.8568 2.3265 -1087.3338 0.0000 0.0000 2708.7339 6162.1499 299.1872 3453.4159 6198.0379 299.3937 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: 1798.44, 0.00392668/step Wall: 1798.44, 0.00392668/step, 2.24628 hours remaining, 111.324219 MB of memory in use. ENERGY: 440600 654.4944 1888.6073 1953.4184 102.6698 2.5297 -1111.4687 0.0000 0.0000 2718.4015 6208.6525 300.2550 3490.2510 6242.4911 297.1563 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: 1799.23, 0.00391762/step Wall: 1799.23, 0.00391762/step, 2.24088 hours remaining, 111.324219 MB of memory in use. ENERGY: 440800 657.5721 1826.9535 1978.6169 113.4075 2.2368 -1093.8912 0.0000 0.0000 2754.7502 6239.6459 304.2698 3484.8957 6273.6501 300.7524 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: 1800.01, 0.0039232/step Wall: 1800.01, 0.0039232/step, 2.24385 hours remaining, 111.324219 MB of memory in use. ENERGY: 441000 674.7208 1909.0584 1952.9222 100.7419 2.6067 -1082.8743 0.0000 0.0000 2709.9479 6267.1235 299.3213 3557.1756 6297.3462 301.6307 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: 1800.82, 0.00401004/step Wall: 1800.82, 0.00401004/step, 2.2933 hours remaining, 111.324219 MB of memory in use. ENERGY: 441200 652.3929 1908.6958 1961.4486 99.1936 1.9686 -1082.1263 0.0000 0.0000 2727.1801 6268.7533 301.2246 3541.5733 6299.4353 303.6899 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: 1801.6, 0.00392205/step Wall: 1801.6, 0.00392205/step, 2.24276 hours remaining, 111.324219 MB of memory in use. ENERGY: 441400 670.7268 1879.8687 1972.5862 107.6239 1.7419 -1103.2685 0.0000 0.0000 2723.5874 6252.8665 300.8278 3529.2791 6285.9143 301.5520 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: 1802.38, 0.00391842/step Wall: 1802.38, 0.00391842/step, 2.24046 hours remaining, 111.324219 MB of memory in use. ENERGY: 441600 669.0361 1875.0729 1965.0272 100.7291 2.2664 -1111.3513 0.0000 0.0000 2726.8641 6227.6445 301.1897 3500.7804 6263.9116 302.7114 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: 1803.17, 0.00391673/step Wall: 1803.17, 0.00391673/step, 2.23928 hours remaining, 111.324219 MB of memory in use. ENERGY: 441800 675.5033 1856.9067 1947.5145 94.8067 1.4595 -1099.4142 0.0000 0.0000 2717.9565 6194.7330 300.2059 3476.7765 6228.9222 301.0582 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: 1803.95, 0.00391806/step Wall: 1803.95, 0.00391806/step, 2.23982 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 442000 642.8765 1852.4131 1950.6856 106.3867 1.9566 -1099.9036 0.0000 0.0000 2653.0516 6107.4665 293.0369 3454.4149 6139.5663 296.4020 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: 1804.73, 0.00391764/step Wall: 1804.73, 0.00391764/step, 2.23937 hours remaining, 111.324219 MB of memory in use. ENERGY: 442200 672.9281 1853.4081 1921.1180 105.7953 2.2856 -1084.8783 0.0000 0.0000 2657.2841 6127.9409 293.5044 3470.6568 6156.8265 295.0882 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: 1805.52, 0.0039264/step Wall: 1805.52, 0.0039264/step, 2.24415 hours remaining, 111.324219 MB of memory in use. ENERGY: 442400 688.7722 1822.5975 1988.0377 117.2369 2.8367 -1112.7698 0.0000 0.0000 2659.5137 6166.2248 293.7507 3506.7111 6197.8980 298.4550 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: 1806.3, 0.00391824/step Wall: 1806.3, 0.00391824/step, 2.23927 hours remaining, 111.324219 MB of memory in use. ENERGY: 442600 678.7547 1828.7303 1948.0292 126.0868 1.7384 -1087.5466 0.0000 0.0000 2686.9399 6182.7327 296.7800 3495.7928 6214.0920 301.1314 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: 1807.09, 0.00391921/step Wall: 1807.09, 0.00391921/step, 2.23961 hours remaining, 111.324219 MB of memory in use. ENERGY: 442800 667.3757 1900.8053 1939.7880 100.1521 1.7888 -1103.9551 0.0000 0.0000 2675.0394 6180.9942 295.4656 3505.9548 6212.0226 299.8782 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: 1807.87, 0.00391814/step Wall: 1807.87, 0.00391814/step, 2.23878 hours remaining, 111.324219 MB of memory in use. ENERGY: 443000 636.7346 1842.1948 1973.2105 97.6699 1.3779 -1087.4590 0.0000 0.0000 2733.2205 6196.9492 301.8918 3463.7287 6231.3845 298.8774 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: 1808.65, 0.00391629/step Wall: 1808.65, 0.00391629/step, 2.23751 hours remaining, 111.324219 MB of memory in use. ENERGY: 443200 653.6274 1834.7494 1973.2330 114.2675 3.9113 -1105.1180 0.0000 0.0000 2717.6538 6192.3244 300.1724 3474.6706 6227.1409 299.2322 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: 1809.44, 0.00391693/step Wall: 1809.44, 0.00391693/step, 2.23766 hours remaining, 111.324219 MB of memory in use. ENERGY: 443400 651.6076 1859.7394 1939.4684 121.1953 1.4590 -1099.6519 0.0000 0.0000 2754.6677 6228.4855 304.2607 3473.8178 6261.8404 301.9427 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: 1810.22, 0.00392447/step Wall: 1810.22, 0.00392447/step, 2.24175 hours remaining, 111.324219 MB of memory in use. ENERGY: 443600 638.0321 1863.2466 1943.6967 103.3122 1.4454 -1068.8641 0.0000 0.0000 2741.5907 6222.4596 302.8163 3480.8689 6255.2613 300.5585 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: 1811.01, 0.00391825/step Wall: 1811.01, 0.00391824/step, 2.23797 hours remaining, 111.324219 MB of memory in use. ENERGY: 443800 646.3436 1881.4853 1975.0033 109.6566 1.5508 -1113.5517 0.0000 0.0000 2684.7020 6185.1899 296.5328 3500.4879 6219.2030 301.4840 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: 1811.79, 0.0039173/step Wall: 1811.79, 0.00391731/step, 2.23722 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 444000 656.3398 1878.3049 1973.1403 114.1366 1.5118 -1097.7093 0.0000 0.0000 2729.2216 6254.9457 301.4501 3525.7241 6290.2699 301.3455 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: 1812.57, 0.00391695/step Wall: 1812.57, 0.00391695/step, 2.2368 hours remaining, 111.324219 MB of memory in use. ENERGY: 444200 662.8348 1840.8725 1953.6647 98.1160 1.7202 -1079.3375 0.0000 0.0000 2739.5674 6217.4380 302.5928 3477.8706 6251.0916 301.8825 LDB: ============= START OF LOAD BALANCING ============== 1815.27 LDB: ============== END OF LOAD BALANCING =============== 1815.27 LDB: =============== DONE WITH MIGRATION ================ 1815.27 LDB: ============= START OF LOAD BALANCING ============== 1815.66 LDB: ============== END OF LOAD BALANCING =============== 1815.66 LDB: =============== DONE WITH MIGRATION ================ 1815.66 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: 1813.36, 0.00391986/step Wall: 1813.36, 0.00391986/step, 2.23824 hours remaining, 111.324219 MB of memory in use. ENERGY: 444400 613.5596 1880.6168 1966.3257 119.6147 1.4187 -1063.4932 0.0000 0.0000 2738.5101 6256.5523 302.4761 3518.0423 6287.7706 301.6807 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: 1814.17, 0.00406931/step Wall: 1814.17, 0.00406931/step, 2.32335 hours remaining, 111.324219 MB of memory in use. ENERGY: 444600 690.1627 1860.6262 1949.2735 110.7309 0.1066 -1071.3341 0.0000 0.0000 2702.4834 6242.0493 298.4968 3539.5659 6274.3141 303.4073 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: 1814.96, 0.00393548/step Wall: 1814.96, 0.00393549/step, 2.24673 hours remaining, 111.324219 MB of memory in use. ENERGY: 444800 671.7229 1828.8578 1942.9353 93.7609 1.3934 -1081.5835 0.0000 0.0000 2736.7642 6193.8509 302.2832 3457.0868 6228.5514 300.8705 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: 1815.74, 0.00392107/step Wall: 1815.74, 0.00392107/step, 2.23828 hours remaining, 111.324219 MB of memory in use. ENERGY: 445000 642.4547 1818.8579 1974.3315 106.8005 1.8204 -1102.5776 0.0000 0.0000 2716.1014 6157.7888 300.0010 3441.6874 6192.7908 297.9615 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: 1816.53, 0.00392139/step Wall: 1816.53, 0.00392139/step, 2.23824 hours remaining, 111.324219 MB of memory in use. ENERGY: 445200 638.9827 1855.3468 1982.6965 107.5473 1.2730 -1061.2952 0.0000 0.0000 2658.2754 6182.8265 293.6139 3524.5511 6213.0427 297.7911 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: 1817.31, 0.00391392/step Wall: 1817.31, 0.00391392/step, 2.23376 hours remaining, 111.324219 MB of memory in use. ENERGY: 445400 668.2039 1808.3976 1959.0456 102.3267 1.3835 -1099.5979 0.0000 0.0000 2719.8607 6159.6202 300.4162 3439.7595 6194.7396 296.9281 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: 1818.09, 0.00392025/step Wall: 1818.09, 0.00392025/step, 2.23716 hours remaining, 111.324219 MB of memory in use. ENERGY: 445600 669.3718 1840.9145 1982.6807 106.6574 0.3057 -1120.3904 0.0000 0.0000 2728.1524 6207.6922 301.3320 3479.5398 6241.4130 298.1840 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: 1818.88, 0.00391966/step Wall: 1818.88, 0.00391966/step, 2.2366 hours remaining, 111.324219 MB of memory in use. ENERGY: 445800 674.6726 1895.0989 1956.3885 107.0980 1.4873 -1125.8935 0.0000 0.0000 2700.8396 6209.6913 298.3153 3508.8517 6241.3428 301.5084 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: 1819.66, 0.00391906/step Wall: 1819.66, 0.00391906/step, 2.23604 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 446000 684.4283 1837.0281 1947.4176 112.9142 1.8279 -1123.4423 0.0000 0.0000 2748.8264 6209.0002 303.6155 3460.1739 6244.0612 300.5387 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: 1820.44, 0.00392013/step Wall: 1820.44, 0.00392013/step, 2.23643 hours remaining, 111.324219 MB of memory in use. ENERGY: 446200 670.2015 1873.7892 1926.2997 106.1475 2.0553 -1082.5047 0.0000 0.0000 2713.4903 6209.4787 299.7126 3495.9884 6242.4100 300.2567 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: 1821.23, 0.00391194/step Wall: 1821.23, 0.00391194/step, 2.23154 hours remaining, 111.324219 MB of memory in use. ENERGY: 446400 640.7671 1862.2912 1953.6277 111.5008 1.7359 -1087.1262 0.0000 0.0000 2683.3851 6166.1816 296.3874 3482.7966 6197.2496 298.3818 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: 1822.01, 0.00392/step Wall: 1822.01, 0.00392/step, 2.23592 hours remaining, 111.324219 MB of memory in use. ENERGY: 446600 615.0708 1870.2863 1942.4115 126.0853 2.2897 -1078.2749 0.0000 0.0000 2677.1904 6155.0591 295.7031 3477.8686 6187.9850 297.0264 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: 1822.79, 0.00391986/step Wall: 1822.79, 0.00391986/step, 2.23563 hours remaining, 111.324219 MB of memory in use. ENERGY: 446800 676.4881 1851.7923 1981.4093 97.0085 2.4448 -1124.6174 0.0000 0.0000 2676.5525 6161.0780 295.6327 3484.5255 6192.1913 296.9851 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: 1823.58, 0.00392032/step Wall: 1823.58, 0.00392032/step, 2.23567 hours remaining, 111.324219 MB of memory in use. ENERGY: 447000 628.9627 1912.3521 1962.6514 108.4862 2.6349 -1105.4540 0.0000 0.0000 2679.4508 6189.0841 295.9528 3509.6333 6219.5426 297.9269 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: 1824.36, 0.00392075/step Wall: 1824.36, 0.00392075/step, 2.2357 hours remaining, 111.324219 MB of memory in use. ENERGY: 447200 645.0729 1838.9328 1941.7966 103.9225 3.1004 -1122.2723 0.0000 0.0000 2736.8667 6147.4196 302.2945 3410.5529 6182.0031 297.9475 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: 1825.14, 0.0039117/step Wall: 1825.14, 0.0039117/step, 2.23032 hours remaining, 111.324219 MB of memory in use. ENERGY: 447400 677.6531 1860.8008 1964.2953 105.4482 2.3977 -1109.1833 0.0000 0.0000 2677.1342 6178.5461 295.6969 3501.4119 6210.2010 298.3645 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: 1825.93, 0.00391926/step Wall: 1825.93, 0.00391926/step, 2.23441 hours remaining, 111.324219 MB of memory in use. ENERGY: 447600 663.2025 1880.2307 1978.2883 116.1125 2.3336 -1154.2612 0.0000 0.0000 2680.9201 6166.8265 296.1151 3485.9064 6201.1245 299.4138 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: 1826.71, 0.00391974/step Wall: 1826.71, 0.00391974/step, 2.23447 hours remaining, 111.324219 MB of memory in use. ENERGY: 447800 666.1793 1845.1993 1950.7930 118.5233 2.1560 -1118.0387 0.0000 0.0000 2699.5713 6164.3835 298.1752 3464.8121 6197.2445 297.5538 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: 1827.5, 0.00391855/step Wall: 1827.5, 0.00391855/step, 2.23357 hours remaining, 111.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 448000 671.7021 1813.8787 1933.9883 116.5111 0.6693 -1127.8722 0.0000 0.0000 2731.8082 6140.6856 301.7358 3408.8774 6174.4117 297.9381 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: 1828.28, 0.00391109/step Wall: 1828.28, 0.00391109/step, 2.2291 hours remaining, 111.324219 MB of memory in use. ENERGY: 448200 629.5801 1864.3528 1970.5284 100.0585 2.1716 -1101.6310 0.0000 0.0000 2714.9443 6180.0048 299.8732 3465.0605 6212.6004 298.0647 LDB: ============= START OF LOAD BALANCING ============== 1830.98 LDB: ============== END OF LOAD BALANCING =============== 1830.98 LDB: =============== DONE WITH MIGRATION ================ 1830.98 LDB: ============= START OF LOAD BALANCING ============== 1831.37 LDB: ============== END OF LOAD BALANCING =============== 1831.37 LDB: =============== DONE WITH MIGRATION ================ 1831.37 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: 1829.06, 0.00392491/step Wall: 1829.06, 0.00392491/step, 2.23676 hours remaining, 111.324219 MB of memory in use. ENERGY: 448400 632.0441 1820.9186 1964.8204 98.4306 1.6625 -1098.8450 0.0000 0.0000 2747.7931 6166.8243 303.5014 3419.0312 6201.7554 298.7271 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: 1829.85, 0.00391927/step Wall: 1829.85, 0.00391927/step, 2.23333 hours remaining, 111.324219 MB of memory in use. ENERGY: 448600 586.7031 1889.7615 1940.7671 117.7696 2.1633 -1085.7444 0.0000 0.0000 2683.6906 6135.1107 296.4211 3451.4201 6170.8059 299.0530 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: 1830.63, 0.00392089/step Wall: 1830.63, 0.00392089/step, 2.23404 hours remaining, 111.324219 MB of memory in use. ENERGY: 448800 629.9680 1860.4306 1949.4315 109.5788 2.2376 -1100.9138 0.0000 0.0000 2648.4262 6099.1588 292.5261 3450.7326 6128.5785 295.2134 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: 1831.42, 0.00392109/step Wall: 1831.42, 0.00392109/step, 2.23393 hours remaining, 111.324219 MB of memory in use. ENERGY: 449000 610.8969 1848.9283 1996.8268 109.5904 2.1216 -1105.9902 0.0000 0.0000 2689.2085 6151.5823 297.0306 3462.3739 6185.0281 296.6070 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: 1832.2, 0.00391088/step Wall: 1832.2, 0.00391088/step, 2.2279 hours remaining, 111.324219 MB of memory in use. ENERGY: 449200 605.1648 1829.9168 1947.7618 112.2764 2.8595 -1067.4275 0.0000 0.0000 2691.2803 6121.8322 297.2594 3430.5519 6155.1165 296.8742 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: 1832.98, 0.00391898/step Wall: 1832.98, 0.00391898/step, 2.23229 hours remaining, 111.324219 MB of memory in use. ENERGY: 449400 678.2393 1837.0443 1953.7194 104.6322 2.8297 -1099.1843 0.0000 0.0000 2698.2273 6175.5081 298.0267 3477.2807 6207.9064 296.5704 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: 1833.77, 0.00391955/step Wall: 1833.77, 0.00391955/step, 2.2324 hours remaining, 111.324219 MB of memory in use. ENERGY: 449600 660.2095 1838.8466 1976.0308 115.6564 1.0831 -1105.0746 0.0000 0.0000 2743.0857 6229.8375 302.9815 3486.7518 6264.4348 299.7829 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: 1834.55, 0.00391945/step Wall: 1834.55, 0.00391945/step, 2.23213 hours remaining, 111.324219 MB of memory in use. ENERGY: 449800 659.3629 1899.8334 1951.4557 113.4476 0.0304 -1126.9863 0.0000 0.0000 2700.1063 6197.2500 298.2343 3497.1438 6230.2039 301.6288 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: 1835.33, 0.00392071/step Wall: 1835.33, 0.00392071/step, 2.23263 hours remaining, 111.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 450000 636.7545 1892.4306 1982.4812 115.6089 1.5107 -1099.1620 0.0000 0.0000 2729.1876 6258.8115 301.4464 3529.6239 6293.1873 301.8382 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 450000 WRITING COORDINATES TO DCD FILE MD.1.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: 1836.22, 0.00442015/step Wall: 1836.22, 0.00442015/step, 2.51678 hours remaining, 111.406250 MB of memory in use. ENERGY: 450200 663.5361 1916.1635 1966.4742 114.9163 2.7855 -1108.9159 0.0000 0.0000 2707.2037 6262.1634 299.0182 3554.9597 6294.6840 304.1033 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: 1837.01, 0.00394662/step Wall: 1837.01, 0.00394662/step, 2.24695 hours remaining, 111.406250 MB of memory in use. ENERGY: 450400 643.7819 1874.0639 1957.6520 108.1098 1.3665 -1078.6917 0.0000 0.0000 2763.2651 6269.5475 305.2103 3506.2824 6299.5842 303.0216 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: 1837.79, 0.00392313/step Wall: 1837.79, 0.00392313/step, 2.23335 hours remaining, 111.406250 MB of memory in use. ENERGY: 450600 677.1433 1867.0195 1970.0778 124.1356 1.8170 -1113.8220 0.0000 0.0000 2743.0840 6269.4551 302.9813 3526.3711 6300.7777 303.7937 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: 1838.58, 0.00392249/step Wall: 1838.58, 0.00392249/step, 2.23277 hours remaining, 111.406250 MB of memory in use. ENERGY: 450800 684.8707 1871.0363 1955.0062 107.7276 3.8525 -1132.6009 0.0000 0.0000 2762.2204 6252.1127 305.0949 3489.8923 6285.3396 303.0942 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: 1839.36, 0.00391703/step Wall: 1839.36, 0.00391703/step, 2.22944 hours remaining, 111.406250 MB of memory in use. ENERGY: 451000 659.6092 1835.9628 1980.5062 102.3697 0.6562 -1090.4974 0.0000 0.0000 2727.4143 6216.0211 301.2505 3488.6067 6250.2622 301.3994 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: 1840.14, 0.00392233/step Wall: 1840.14, 0.00392233/step, 2.23224 hours remaining, 111.406250 MB of memory in use. ENERGY: 451200 654.1698 1836.0226 1965.3041 107.6582 2.1030 -1097.4280 0.0000 0.0000 2744.8051 6212.6348 303.1714 3467.8297 6246.4327 300.9838 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: 1840.93, 0.0039226/step Wall: 1840.93, 0.0039226/step, 2.23218 hours remaining, 111.406250 MB of memory in use. ENERGY: 451400 647.5610 1832.0817 1979.4043 99.9486 2.2226 -1088.1286 0.0000 0.0000 2711.0736 6184.1632 299.4456 3473.0897 6218.8216 298.9022 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: 1841.71, 0.00392151/step Wall: 1841.71, 0.00392151/step, 2.23134 hours remaining, 111.406250 MB of memory in use. ENERGY: 451600 673.4265 1852.4169 1941.1137 84.9716 2.9270 -1100.5208 0.0000 0.0000 2661.5495 6115.8844 293.9756 3454.3349 6149.0182 297.4551 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: 1842.5, 0.00392319/step Wall: 1842.5, 0.00392319/step, 2.23208 hours remaining, 111.406250 MB of memory in use. ENERGY: 451800 669.9125 1859.7826 1983.0281 107.2792 0.9548 -1121.7945 0.0000 0.0000 2676.9112 6176.0738 295.6723 3499.1626 6207.1552 296.0369 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: 1843.28, 0.00391866/step Wall: 1843.28, 0.00391866/step, 2.22928 hours remaining, 111.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 452000 654.9105 1845.0243 1969.6119 111.3688 1.5935 -1089.6375 0.0000 0.0000 2715.3922 6208.2636 299.9226 3492.8714 6243.2388 300.2506 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: 1844.07, 0.00392477/step Wall: 1844.07, 0.00392477/step, 2.23254 hours remaining, 111.406250 MB of memory in use. ENERGY: 452200 637.2845 1851.5993 1961.9200 99.1117 2.1459 -1095.4092 0.0000 0.0000 2751.9833 6208.6355 303.9642 3456.6522 6241.8674 300.8380 LDB: ============= START OF LOAD BALANCING ============== 1846.77 LDB: ============== END OF LOAD BALANCING =============== 1846.77 LDB: =============== DONE WITH MIGRATION ================ 1846.77 LDB: ============= START OF LOAD BALANCING ============== 1847.16 LDB: ============== END OF LOAD BALANCING =============== 1847.16 LDB: =============== DONE WITH MIGRATION ================ 1847.16 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: 1844.85, 0.00392973/step Wall: 1844.85, 0.00392973/step, 2.23514 hours remaining, 111.406250 MB of memory in use. ENERGY: 452400 635.4379 1891.0126 1954.1855 104.7644 1.7992 -1089.7870 0.0000 0.0000 2707.5337 6204.9462 299.0546 3497.4125 6238.1058 299.1828 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: 1845.64, 0.00392446/step Wall: 1845.64, 0.00392446/step, 2.23193 hours remaining, 111.406250 MB of memory in use. ENERGY: 452600 632.8179 1849.2568 1955.7767 98.9318 3.4755 -1103.7468 0.0000 0.0000 2723.5255 6160.0376 300.8210 3436.5120 6194.8049 299.6467 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: 1846.42, 0.00391841/step Wall: 1846.42, 0.00391841/step, 2.22827 hours remaining, 111.406250 MB of memory in use. ENERGY: 452800 635.9379 1898.6489 1958.8987 102.5873 1.9462 -1113.1869 0.0000 0.0000 2634.0682 6118.9002 290.9402 3484.8320 6149.9647 295.7042 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: 1847.21, 0.00392259/step Wall: 1847.21, 0.00392258/step, 2.23042 hours remaining, 111.406250 MB of memory in use. ENERGY: 453000 613.9297 1808.3184 1980.6675 111.8168 2.5310 -1076.8465 0.0000 0.0000 2677.5042 6117.9211 295.7378 3440.4169 6149.6725 294.7369 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: 1847.99, 0.00392354/step Wall: 1847.99, 0.00392355/step, 2.23076 hours remaining, 111.406250 MB of memory in use. ENERGY: 453200 680.1740 1793.4252 1992.7388 100.7644 1.8295 -1110.6429 0.0000 0.0000 2657.3220 6115.6110 293.5086 3458.2890 6148.2619 295.4173 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: 1848.77, 0.00392342/step Wall: 1848.77, 0.00392341/step, 2.23046 hours remaining, 111.406250 MB of memory in use. ENERGY: 453400 653.2789 1827.9171 1938.9397 109.9338 2.1429 -1111.5498 0.0000 0.0000 2704.4951 6125.1578 298.7190 3420.6626 6153.8121 297.4603 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: 1849.56, 0.00392251/step Wall: 1849.56, 0.00392251/step, 2.22973 hours remaining, 111.406250 MB of memory in use. ENERGY: 453600 641.6282 1826.2143 1981.9307 102.0528 2.3711 -1097.3244 0.0000 0.0000 2644.2347 6101.1074 292.0631 3456.8727 6132.2559 295.1071 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: 1850.34, 0.00391796/step Wall: 1850.34, 0.00391796/step, 2.22692 hours remaining, 111.406250 MB of memory in use. ENERGY: 453800 629.9860 1858.1182 1938.6725 91.7157 2.2728 -1100.8928 0.0000 0.0000 2681.7910 6101.6635 296.2113 3419.8725 6133.7295 293.8803 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: 1851.13, 0.0039219/step Wall: 1851.13, 0.0039219/step, 2.22895 hours remaining, 111.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 454000 658.8648 1742.3591 1987.6637 104.5676 0.7301 -1060.9329 0.0000 0.0000 2695.7189 6128.9712 297.7497 3433.2524 6160.7559 294.3597 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: 1851.91, 0.00392257/step Wall: 1851.91, 0.00392257/step, 2.22911 hours remaining, 111.406250 MB of memory in use. ENERGY: 454200 636.7122 1838.6997 1978.9433 104.0015 2.2918 -1100.1654 0.0000 0.0000 2617.7864 6078.2693 289.1418 3460.4829 6109.1282 293.3323 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: 1852.7, 0.00392493/step Wall: 1852.7, 0.00392493/step, 2.23023 hours remaining, 111.406250 MB of memory in use. ENERGY: 454400 663.8993 1787.5985 1973.8668 101.4941 2.1624 -1093.2176 0.0000 0.0000 2686.8354 6122.6388 296.7685 3435.8034 6154.5869 293.0318 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: 1853.48, 0.00392286/step Wall: 1853.48, 0.00392286/step, 2.22884 hours remaining, 111.406250 MB of memory in use. ENERGY: 454600 656.2332 1819.3100 1983.8151 111.8394 3.1260 -1121.0261 0.0000 0.0000 2722.5959 6175.8936 300.7183 3453.2977 6209.7521 297.0449 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: 1854.26, 0.00391801/step Wall: 1854.26, 0.00391801/step, 2.22587 hours remaining, 111.406250 MB of memory in use. ENERGY: 454800 653.8302 1837.7403 1987.2410 104.2436 2.8262 -1123.7596 0.0000 0.0000 2717.1703 6179.2919 300.1190 3462.1216 6211.1613 298.9256 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: 1855.05, 0.00392266/step Wall: 1855.05, 0.00392266/step, 2.22829 hours remaining, 111.406250 MB of memory in use. ENERGY: 455000 639.6406 1923.4605 1968.4909 104.5646 2.7458 -1120.7369 0.0000 0.0000 2698.0023 6216.1678 298.0019 3518.1656 6249.0817 299.7681 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: 1855.83, 0.00392225/step Wall: 1855.83, 0.00392225/step, 2.22784 hours remaining, 111.406250 MB of memory in use. ENERGY: 455200 689.3428 1852.7208 1985.4409 109.7515 2.5510 -1132.3927 0.0000 0.0000 2677.2590 6184.6733 295.7107 3507.4143 6216.6973 300.1436 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: 1856.62, 0.00392232/step Wall: 1856.62, 0.00392232/step, 2.22766 hours remaining, 111.406250 MB of memory in use. ENERGY: 455400 646.2600 1903.7988 1978.5340 107.5988 1.6705 -1137.4371 0.0000 0.0000 2688.7055 6189.1305 296.9750 3500.4250 6223.2712 297.6971 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: 1857.4, 0.00391681/step Wall: 1857.4, 0.00391681/step, 2.22431 hours remaining, 111.410156 MB of memory in use. ENERGY: 455600 670.6704 1886.7651 1969.2168 106.1787 2.1502 -1129.5475 0.0000 0.0000 2684.2556 6189.6893 296.4835 3505.4337 6223.0627 298.1353 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: 1858.19, 0.00392139/step Wall: 1858.19, 0.00392139/step, 2.2267 hours remaining, 111.410156 MB of memory in use. ENERGY: 455800 624.7682 1835.2763 1984.7820 114.1822 2.7907 -1097.7782 0.0000 0.0000 2738.0525 6202.0738 302.4255 3464.0212 6236.0739 300.7053 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: 1858.97, 0.00392021/step Wall: 1858.97, 0.00392021/step, 2.22581 hours remaining, 111.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 456000 678.0390 1810.6868 1979.2181 107.2113 1.6339 -1092.8847 0.0000 0.0000 2792.8132 6276.7175 308.4740 3483.9043 6309.0581 303.0493 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: 1859.75, 0.0039201/step Wall: 1859.75, 0.0039201/step, 2.22553 hours remaining, 111.410156 MB of memory in use. ENERGY: 456200 668.4626 1853.0490 1983.8517 118.3093 3.7637 -1105.3857 0.0000 0.0000 2780.2297 6302.2803 307.0841 3522.0506 6339.9680 303.9041 LDB: ============= START OF LOAD BALANCING ============== 1862.45 LDB: ============== END OF LOAD BALANCING =============== 1862.45 LDB: =============== DONE WITH MIGRATION ================ 1862.45 LDB: ============= START OF LOAD BALANCING ============== 1862.85 LDB: ============== END OF LOAD BALANCING =============== 1862.85 LDB: =============== DONE WITH MIGRATION ================ 1862.85 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: 1860.54, 0.00392573/step Wall: 1860.54, 0.00392573/step, 2.22851 hours remaining, 111.410156 MB of memory in use. ENERGY: 456400 668.0473 1862.5867 1966.0870 120.1312 2.9288 -1112.3935 0.0000 0.0000 2724.3596 6231.7471 300.9131 3507.3874 6266.7154 303.2273 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: 1861.32, 0.00391642/step Wall: 1861.32, 0.00391642/step, 2.22301 hours remaining, 111.410156 MB of memory in use. ENERGY: 456600 659.7450 1828.9381 1987.4336 100.7498 2.1137 -1095.8362 0.0000 0.0000 2721.8902 6205.0342 300.6403 3483.1441 6238.9284 301.5604 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: 1862.11, 0.00392093/step Wall: 1862.11, 0.00392093/step, 2.22534 hours remaining, 111.410156 MB of memory in use. ENERGY: 456800 633.7132 1848.1741 1985.3086 102.4266 2.2314 -1113.6538 0.0000 0.0000 2703.8705 6162.0705 298.6500 3458.2000 6198.9426 299.0779 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: 1862.89, 0.00392155/step Wall: 1862.89, 0.00392155/step, 2.22548 hours remaining, 111.410156 MB of memory in use. ENERGY: 457000 649.9167 1842.0755 1943.7745 105.5567 2.1886 -1073.5780 0.0000 0.0000 2705.1044 6175.0384 298.7863 3469.9340 6208.1001 297.1468 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: 1863.68, 0.00392125/step Wall: 1863.68, 0.00392125/step, 2.22509 hours remaining, 111.410156 MB of memory in use. ENERGY: 457200 638.6929 1853.0506 1956.8150 101.4751 1.8354 -1063.1065 0.0000 0.0000 2703.6218 6192.3844 298.6226 3488.7625 6225.1103 296.6133 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: 1864.46, 0.00392056/step Wall: 1864.46, 0.00392056/step, 2.22448 hours remaining, 111.410156 MB of memory in use. ENERGY: 457400 643.9187 1859.5821 1970.2661 109.4108 2.4772 -1113.3375 0.0000 0.0000 2666.6245 6138.9419 294.5361 3472.3174 6169.2152 296.3689 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: 1865.27, 0.00403591/step Wall: 1865.27, 0.00403591/step, 2.28971 hours remaining, 111.410156 MB of memory in use. ENERGY: 457600 650.3750 1848.1157 1951.7773 112.9918 1.6030 -1118.6931 0.0000 0.0000 2672.7493 6118.9190 295.2126 3446.1698 6150.5263 296.8899 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: 1866.06, 0.00395962/step Wall: 1866.06, 0.00395962/step, 2.24621 hours remaining, 111.535156 MB of memory in use. ENERGY: 457800 640.6066 1826.6649 1962.2940 100.6802 1.6342 -1114.0801 0.0000 0.0000 2717.9359 6135.7357 300.2036 3417.7998 6168.6268 297.5049 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: 1866.84, 0.00391927/step Wall: 1866.84, 0.00391927/step, 2.2231 hours remaining, 111.535156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 458000 638.3808 1824.6864 1936.6682 112.2242 2.1627 -1081.8492 0.0000 0.0000 2712.6798 6144.9529 299.6230 3432.2731 6177.8932 297.3818 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: 1867.63, 0.00391932/step Wall: 1867.63, 0.00391932/step, 2.22291 hours remaining, 111.535156 MB of memory in use. ENERGY: 458200 643.5481 1867.4925 1928.9643 108.6388 2.5254 -1059.2910 0.0000 0.0000 2685.3949 6177.2729 296.6093 3491.8780 6210.7458 297.0291 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: 1868.41, 0.0039199/step Wall: 1868.41, 0.0039199/step, 2.22302 hours remaining, 111.535156 MB of memory in use. ENERGY: 458400 638.8826 1833.5293 1941.1884 109.0394 2.8039 -1090.0815 0.0000 0.0000 2727.6618 6163.0239 301.2778 3435.3621 6197.9884 297.8021 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: 1869.19, 0.00391825/step Wall: 1869.19, 0.00391825/step, 2.22187 hours remaining, 111.535156 MB of memory in use. ENERGY: 458600 617.4910 1845.4512 1960.1675 104.3042 2.9353 -1114.4804 0.0000 0.0000 2754.6535 6170.5223 304.2592 3415.8688 6205.4390 296.6646 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: 1869.98, 0.00392038/step Wall: 1869.98, 0.00392038/step, 2.22285 hours remaining, 111.535156 MB of memory in use. ENERGY: 458800 630.0367 1858.9185 1977.1750 115.0048 3.4973 -1098.4127 0.0000 0.0000 2678.7488 6164.9683 295.8753 3486.2195 6198.1011 298.9554 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: 1870.76, 0.00391975/step Wall: 1870.76, 0.00391975/step, 2.22228 hours remaining, 111.535156 MB of memory in use. ENERGY: 459000 686.8855 1835.4451 1936.4006 106.1531 2.6318 -1099.1170 0.0000 0.0000 2683.5780 6151.9771 296.4087 3468.3990 6181.5913 299.9040 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: 1871.55, 0.00392027/step Wall: 1871.55, 0.00392027/step, 2.22236 hours remaining, 111.535156 MB of memory in use. ENERGY: 459200 656.2534 1853.0831 1951.0837 111.5951 2.5288 -1087.9472 0.0000 0.0000 2673.5633 6160.1602 295.3025 3486.5969 6190.6244 296.2180 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: 1872.33, 0.00392009/step Wall: 1872.33, 0.00392009/step, 2.22204 hours remaining, 111.535156 MB of memory in use. ENERGY: 459400 628.2584 1821.2824 1961.4997 114.5552 1.8941 -1092.7264 0.0000 0.0000 2666.7450 6101.5083 294.5494 3434.7633 6134.1680 295.1491 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: 1873.11, 0.00392045/step Wall: 1873.11, 0.00392045/step, 2.22203 hours remaining, 111.535156 MB of memory in use. ENERGY: 459600 615.3941 1789.8938 1969.9047 98.4558 1.5860 -1089.1160 0.0000 0.0000 2727.0068 6113.1251 301.2055 3386.1183 6148.7158 295.2700 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: 1873.9, 0.00392179/step Wall: 1873.9, 0.00392179/step, 2.22256 hours remaining, 111.535156 MB of memory in use. ENERGY: 459800 638.2683 1819.0615 1959.6920 108.9527 0.8386 -1066.1789 0.0000 0.0000 2739.5187 6200.1530 302.5875 3460.6343 6232.2953 297.5012 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: 1874.68, 0.0039201/step Wall: 1874.68, 0.0039201/step, 2.22139 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: 460000 634.7229 1837.8772 1961.1194 106.6374 3.1733 -1067.0779 0.0000 0.0000 2710.9958 6187.4481 299.4370 3476.4523 6219.6425 297.7058 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 460000 WRITING COORDINATES TO DCD FILE MD.1.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: 1875.82, 0.00570757/step Wall: 1875.82, 0.00570757/step, 3.23397 hours remaining, 111.675781 MB of memory in use. ENERGY: 460200 679.0164 1850.2128 1976.2580 108.7232 2.2399 -1142.6739 0.0000 0.0000 2700.0155 6173.7918 298.2242 3473.7764 6205.5227 298.0241 LDB: ============= START OF LOAD BALANCING ============== 1878.53 LDB: ============== END OF LOAD BALANCING =============== 1878.53 LDB: =============== DONE WITH MIGRATION ================ 1878.53 LDB: ============= START OF LOAD BALANCING ============== 1878.92 LDB: ============== END OF LOAD BALANCING =============== 1878.92 LDB: =============== DONE WITH MIGRATION ================ 1878.92 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: 1876.61, 0.00394969/step Wall: 1876.61, 0.00394969/step, 2.23772 hours remaining, 111.675781 MB of memory in use. ENERGY: 460400 639.5811 1891.6893 1947.7561 107.9959 2.8131 -1102.2102 0.0000 0.0000 2718.8982 6206.5235 300.3099 3487.6253 6239.3701 297.5006 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: 1877.4, 0.00391955/step Wall: 1877.4, 0.00391955/step, 2.22043 hours remaining, 111.675781 MB of memory in use. ENERGY: 460600 672.0608 1874.7180 1982.2382 124.0493 1.3899 -1123.3177 0.0000 0.0000 2658.9508 6190.0892 293.6885 3531.1384 6224.7386 297.8846 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: 1878.18, 0.00392418/step Wall: 1878.18, 0.00392418/step, 2.22283 hours remaining, 111.675781 MB of memory in use. ENERGY: 460800 665.7663 1800.6182 1933.0444 126.9981 2.2083 -1070.1342 0.0000 0.0000 2729.4352 6187.9363 301.4737 3458.5011 6220.1744 297.6350 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: 1878.97, 0.00392484/step Wall: 1878.97, 0.00392484/step, 2.22298 hours remaining, 111.675781 MB of memory in use. ENERGY: 461000 661.9987 1866.4903 1975.8795 105.5081 2.5164 -1073.4647 0.0000 0.0000 2732.9263 6271.8546 301.8593 3538.9284 6306.2448 302.1980 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: 1879.75, 0.00392481/step Wall: 1879.75, 0.00392481/step, 2.22275 hours remaining, 111.675781 MB of memory in use. ENERGY: 461200 681.1566 1868.8370 1968.5029 108.6143 3.3637 -1092.1561 0.0000 0.0000 2656.5005 6194.8189 293.4179 3538.3184 6225.6211 302.0019 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: 1880.54, 0.00392444/step Wall: 1880.54, 0.00392444/step, 2.22233 hours remaining, 111.675781 MB of memory in use. ENERGY: 461400 678.1242 1837.3361 1956.7319 96.1109 2.9394 -1127.2475 0.0000 0.0000 2777.5789 6221.5739 306.7913 3443.9950 6256.1335 300.6705 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: 1881.32, 0.00391911/step Wall: 1881.32, 0.00391911/step, 2.21908 hours remaining, 111.675781 MB of memory in use. ENERGY: 461600 677.0665 1898.7601 1952.7974 129.5330 2.4557 -1103.1557 0.0000 0.0000 2683.9273 6241.3844 296.4472 3557.4571 6273.1244 303.3058 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: 1882.11, 0.00392452/step Wall: 1882.11, 0.00392452/step, 2.22193 hours remaining, 111.675781 MB of memory in use. ENERGY: 461800 672.1205 1891.4560 1934.8258 99.8662 2.3919 -1096.3157 0.0000 0.0000 2693.2863 6197.6310 297.4810 3504.3446 6228.4255 299.7785 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: 1882.89, 0.003925/step Wall: 1882.89, 0.003925/step, 2.22199 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: 462000 609.0770 1827.4592 1945.6482 120.5235 1.8013 -1052.8149 0.0000 0.0000 2742.1512 6193.8453 302.8782 3451.6941 6226.7455 299.9455 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: 1883.68, 0.00392377/step Wall: 1883.68, 0.00392377/step, 2.22107 hours remaining, 111.675781 MB of memory in use. ENERGY: 462200 646.4284 1849.4108 1961.2504 118.0101 2.3163 -1046.9357 0.0000 0.0000 2650.8129 6181.2933 292.7897 3530.4804 6212.1845 297.5741 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: 1884.46, 0.00391796/step Wall: 1884.46, 0.00391796/step, 2.21757 hours remaining, 111.675781 MB of memory in use. ENERGY: 462400 647.0878 1859.8488 1941.5199 115.2368 1.4931 -1106.2118 0.0000 0.0000 2683.0811 6142.0556 296.3538 3458.9745 6172.5442 296.5155 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: 1885.24, 0.00392351/step Wall: 1885.24, 0.00392351/step, 2.22049 hours remaining, 111.675781 MB of memory in use. ENERGY: 462600 655.6757 1824.4239 1968.4058 112.2122 1.9501 -1127.3322 0.0000 0.0000 2713.7366 6149.0719 299.7398 3435.3353 6186.1315 296.7753 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: 1886.03, 0.00392551/step Wall: 1886.03, 0.00392551/step, 2.2214 hours remaining, 111.675781 MB of memory in use. ENERGY: 462800 616.5932 1885.5207 1962.0112 105.5624 3.5033 -1127.1149 0.0000 0.0000 2691.3312 6137.4070 297.2650 3446.0758 6170.3778 296.6890 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: 1886.81, 0.003927/step Wall: 1886.81, 0.003927/step, 2.22203 hours remaining, 111.675781 MB of memory in use. ENERGY: 463000 628.6768 1926.9761 1939.3715 109.7027 1.9442 -1120.2518 0.0000 0.0000 2666.1986 6152.6180 294.4891 3486.4194 6187.5129 297.9156 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: 1887.6, 0.00392774/step Wall: 1887.6, 0.00392774/step, 2.22223 hours remaining, 111.675781 MB of memory in use. ENERGY: 463200 667.7590 1900.4961 1934.2070 97.8125 1.0625 -1098.2694 0.0000 0.0000 2691.5806 6194.6484 297.2926 3503.0677 6225.0390 298.9392 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: 1888.38, 0.00392144/step Wall: 1888.38, 0.00392144/step, 2.21845 hours remaining, 111.675781 MB of memory in use. ENERGY: 463400 656.3681 1834.2292 1938.5535 106.0278 2.9074 -1080.0537 0.0000 0.0000 2728.0694 6186.1016 301.3229 3458.0323 6218.2404 298.7139 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: 1889.17, 0.0039267/step Wall: 1889.17, 0.0039267/step, 2.2212 hours remaining, 111.675781 MB of memory in use. ENERGY: 463600 649.7536 1867.9704 1955.1935 113.6413 3.2624 -1106.5387 0.0000 0.0000 2698.4211 6181.7035 298.0481 3483.2824 6212.8886 299.1196 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: 1889.96, 0.00392699/step Wall: 1889.96, 0.00392699/step, 2.22115 hours remaining, 111.675781 MB of memory in use. ENERGY: 463800 667.8271 1869.0189 1929.0295 125.4563 2.1371 -1129.1026 0.0000 0.0000 2737.5816 6201.9480 302.3735 3464.3664 6236.4764 298.0059 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: 1890.74, 0.00392725/step Wall: 1890.74, 0.00392725/step, 2.22108 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: 464000 661.6819 1905.2337 1923.6325 113.2286 1.5922 -1087.1400 0.0000 0.0000 2732.1644 6250.3933 301.7752 3518.2289 6283.1677 302.7164 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: 1891.53, 0.00392747/step Wall: 1891.53, 0.00392746/step, 2.22098 hours remaining, 111.675781 MB of memory in use. ENERGY: 464200 665.6146 1851.3735 1915.9409 109.4306 2.7960 -1122.8014 0.0000 0.0000 2764.7815 6187.1356 305.3778 3422.3541 6221.9239 302.8756 LDB: ============= START OF LOAD BALANCING ============== 1894.23 LDB: ============== END OF LOAD BALANCING =============== 1894.23 LDB: =============== DONE WITH MIGRATION ================ 1894.23 LDB: ============= START OF LOAD BALANCING ============== 1894.62 LDB: ============== END OF LOAD BALANCING =============== 1894.62 LDB: =============== DONE WITH MIGRATION ================ 1894.62 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: 1892.31, 0.00392559/step Wall: 1892.31, 0.0039256/step, 2.21971 hours remaining, 111.675781 MB of memory in use. ENERGY: 464400 635.4386 1911.1061 1944.3665 124.3850 2.4974 -1107.7386 0.0000 0.0000 2715.7642 6225.8193 299.9637 3510.0550 6260.8891 299.8809 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: 1893.1, 0.0039274/step Wall: 1893.1, 0.0039274/step, 2.22051 hours remaining, 111.675781 MB of memory in use. ENERGY: 464600 655.9163 1864.5862 1948.6294 96.3319 1.5209 -1086.7130 0.0000 0.0000 2750.0304 6230.3022 303.7485 3480.2718 6265.5395 302.3214 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: 1893.88, 0.0039245/step Wall: 1893.88, 0.0039245/step, 2.21865 hours remaining, 111.675781 MB of memory in use. ENERGY: 464800 675.3248 1865.0538 1997.2662 95.2861 2.2036 -1094.4827 0.0000 0.0000 2721.3050 6261.9568 300.5757 3540.6518 6294.1371 303.2023 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: 1894.67, 0.00392679/step Wall: 1894.67, 0.00392679/step, 2.21973 hours remaining, 111.675781 MB of memory in use. ENERGY: 465000 679.4742 1879.5561 1965.1543 110.5719 1.9265 -1108.7214 0.0000 0.0000 2764.0414 6292.0031 305.2961 3527.9617 6325.6174 303.7486 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: 1895.45, 0.00391865/step Wall: 1895.45, 0.00391865/step, 2.21491 hours remaining, 111.675781 MB of memory in use. ENERGY: 465200 658.2002 1909.1226 1974.5761 108.4323 1.1683 -1128.7028 0.0000 0.0000 2732.3723 6255.1691 301.7981 3522.7968 6288.4828 304.7573 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: 1896.24, 0.00392534/step Wall: 1896.24, 0.00392534/step, 2.21847 hours remaining, 111.675781 MB of memory in use. ENERGY: 465400 648.1705 1832.9236 1947.3806 110.8744 1.7448 -1083.5502 0.0000 0.0000 2763.7085 6221.2522 305.2593 3457.5437 6256.7057 303.4860 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: 1897.02, 0.00392661/step Wall: 1897.02, 0.00392661/step, 2.21897 hours remaining, 111.675781 MB of memory in use. ENERGY: 465600 665.4486 1823.3426 1952.2777 126.8572 1.1423 -1059.9977 0.0000 0.0000 2696.3743 6205.4451 297.8220 3509.0708 6237.3120 299.8740 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: 1897.81, 0.00392586/step Wall: 1897.81, 0.00392586/step, 2.21833 hours remaining, 111.675781 MB of memory in use. ENERGY: 465800 641.9764 1797.0935 1939.4281 112.2369 1.5438 -1048.4291 0.0000 0.0000 2723.1586 6167.0082 300.7805 3443.8496 6198.9638 297.7493 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: 1898.59, 0.00392771/step Wall: 1898.59, 0.00392771/step, 2.21915 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: 466000 619.6611 1806.0714 1999.1231 117.1229 1.8371 -1060.0062 0.0000 0.0000 2721.9515 6205.7609 300.6471 3483.8093 6240.7524 299.7643 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: 1899.38, 0.00392058/step Wall: 1899.38, 0.00392058/step, 2.21491 hours remaining, 111.675781 MB of memory in use. ENERGY: 466200 667.7142 1866.6975 1936.4235 108.6044 0.5949 -1118.0561 0.0000 0.0000 2721.1451 6183.1236 300.5581 3461.9784 6215.3424 299.7016 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: 1900.16, 0.00392492/step Wall: 1900.16, 0.00392492/step, 2.21714 hours remaining, 111.675781 MB of memory in use. ENERGY: 466400 639.2689 1883.5641 1983.2904 111.9567 -0.0867 -1086.6098 0.0000 0.0000 2622.2549 6153.6385 289.6354 3531.3836 6187.6141 299.3609 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: 1900.95, 0.00392616/step Wall: 1900.95, 0.00392616/step, 2.21763 hours remaining, 111.675781 MB of memory in use. ENERGY: 466600 638.4388 1807.8411 1967.6791 104.3032 0.0852 -1125.6628 0.0000 0.0000 2733.9042 6126.5888 301.9673 3392.6845 6159.4246 296.6480 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: 1901.73, 0.0039246/step Wall: 1901.73, 0.0039246/step, 2.21653 hours remaining, 111.675781 MB of memory in use. ENERGY: 466800 666.3162 1849.6602 1973.2658 115.2238 2.2393 -1107.6846 0.0000 0.0000 2650.0231 6149.0438 292.7024 3499.0207 6179.6598 297.0604 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: 1902.52, 0.00392024/step Wall: 1902.52, 0.00392024/step, 2.21384 hours remaining, 111.675781 MB of memory in use. ENERGY: 467000 631.0324 1871.4254 1992.6734 109.4578 1.5599 -1142.5008 0.0000 0.0000 2670.4485 6134.0967 294.9585 3463.6482 6166.1464 297.0380 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: 1903.3, 0.00392441/step Wall: 1903.3, 0.0039244/step, 2.21598 hours remaining, 111.675781 MB of memory in use. ENERGY: 467200 623.6238 1860.7954 1990.5932 102.5444 1.7155 -1113.3303 0.0000 0.0000 2711.7958 6177.7377 299.5254 3465.9419 6211.4765 298.1861 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: 1904.08, 0.00392456/step Wall: 1904.08, 0.00392457/step, 2.21585 hours remaining, 111.675781 MB of memory in use. ENERGY: 467400 649.4954 1826.6773 1992.9217 108.5906 0.3698 -1114.4196 0.0000 0.0000 2729.4003 6193.0355 301.4699 3463.6352 6225.8957 299.0957 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: 1904.87, 0.00392787/step Wall: 1904.87, 0.00392787/step, 2.2175 hours remaining, 111.675781 MB of memory in use. ENERGY: 467600 659.2079 1853.9405 1978.6631 112.8188 1.0883 -1092.7543 0.0000 0.0000 2636.1184 6149.0827 291.1666 3512.9643 6179.2580 297.8269 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: 1905.66, 0.00392454/step Wall: 1905.66, 0.00392454/step, 2.2154 hours remaining, 111.675781 MB of memory in use. ENERGY: 467800 635.6013 1860.3081 1955.1618 95.8411 1.1001 -1088.5379 0.0000 0.0000 2704.0451 6163.5196 298.6693 3459.4745 6197.6181 297.6927 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: 1906.44, 0.00391883/step Wall: 1906.44, 0.00391883/step, 2.21196 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: 468000 662.9036 1832.2826 1996.2818 108.6427 0.7393 -1123.8968 0.0000 0.0000 2688.3643 6165.3176 296.9373 3476.9533 6196.1142 297.4937 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: 1907.22, 0.00392406/step Wall: 1907.22, 0.00392406/step, 2.2147 hours remaining, 111.675781 MB of memory in use. ENERGY: 468200 646.8758 1820.5555 1961.1807 107.4753 1.2222 -1086.0340 0.0000 0.0000 2682.4776 6133.7531 296.2871 3451.2755 6168.4681 298.6546 LDB: ============= START OF LOAD BALANCING ============== 1909.93 LDB: ============== END OF LOAD BALANCING =============== 1909.93 LDB: =============== DONE WITH MIGRATION ================ 1909.93 LDB: ============= START OF LOAD BALANCING ============== 1910.32 LDB: ============== END OF LOAD BALANCING =============== 1910.32 LDB: =============== DONE WITH MIGRATION ================ 1910.32 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: 1908.01, 0.00392999/step Wall: 1908.01, 0.00392999/step, 2.21782 hours remaining, 111.675781 MB of memory in use. ENERGY: 468400 667.3685 1843.7824 1949.8025 125.5853 1.8487 -1086.4702 0.0000 0.0000 2618.1780 6120.0951 289.1851 3501.9171 6150.1643 296.0988 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: 1908.8, 0.003927/step Wall: 1908.8, 0.003927/step, 2.21592 hours remaining, 111.675781 MB of memory in use. ENERGY: 468600 625.6316 1893.9508 1955.1524 102.1152 0.8786 -1142.4921 0.0000 0.0000 2705.8842 6141.1207 298.8724 3435.2365 6170.8364 296.0209 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: 1909.58, 0.00392644/step Wall: 1909.58, 0.00392644/step, 2.21538 hours remaining, 111.675781 MB of memory in use. ENERGY: 468800 640.5560 1840.2505 1986.3066 103.6637 0.4882 -1089.8407 0.0000 0.0000 2696.9946 6178.4189 297.8906 3481.4243 6211.6641 297.0578 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: 1910.36, 0.00391951/step Wall: 1910.36, 0.00391951/step, 2.21126 hours remaining, 111.675781 MB of memory in use. ENERGY: 469000 676.0697 1811.3811 1978.8852 107.1240 1.5180 -1092.3686 0.0000 0.0000 2754.1512 6236.7605 304.2037 3482.6093 6270.7550 300.7544 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: 1911.15, 0.0039238/step Wall: 1911.15, 0.0039238/step, 2.21346 hours remaining, 111.675781 MB of memory in use. ENERGY: 469200 671.9738 1838.8947 1977.5828 115.0161 2.0103 -1128.1662 0.0000 0.0000 2771.4510 6248.7625 306.1145 3477.3116 6282.1862 303.6752 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: 1911.93, 0.00392482/step Wall: 1911.93, 0.00392482/step, 2.21381 hours remaining, 111.675781 MB of memory in use. ENERGY: 469400 639.4729 1830.5027 1998.4126 104.4272 0.9115 -1085.2439 0.0000 0.0000 2743.3484 6231.8315 303.0105 3488.4830 6264.0006 301.7934 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: 1912.72, 0.00392472/step Wall: 1912.72, 0.00392472/step, 2.21354 hours remaining, 111.675781 MB of memory in use. ENERGY: 469600 642.0512 1857.1792 1979.4906 102.6067 0.9462 -1107.8202 0.0000 0.0000 2693.6843 6168.1380 297.5249 3474.4537 6199.5302 300.2190 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: 1913.5, 0.00391749/step Wall: 1913.5, 0.00391749/step, 2.20925 hours remaining, 111.675781 MB of memory in use. ENERGY: 469800 640.0715 1828.0822 1954.0659 96.0706 1.5506 -1098.7752 0.0000 0.0000 2742.7664 6163.8320 302.9462 3421.0656 6198.0136 297.5226 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: 1914.29, 0.003925/step Wall: 1914.29, 0.003925/step, 2.21326 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: 470000 646.3135 1821.6638 1993.3905 111.1212 -0.2142 -1101.6672 0.0000 0.0000 2740.9368 6211.5444 302.7441 3470.6076 6247.0172 299.6435 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 470000 WRITING COORDINATES TO DCD FILE MD.1.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: 1915.9, 0.0080636/step Wall: 1915.9, 0.0080636/step, 4.54653 hours remaining, 111.675781 MB of memory in use. ENERGY: 470200 659.2411 1839.1831 1986.6847 111.6960 0.1974 -1117.5182 0.0000 0.0000 2712.0336 6191.5179 299.5517 3479.4843 6224.9214 300.6110 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: 1916.69, 0.00393079/step Wall: 1916.69, 0.00393079/step, 2.21609 hours remaining, 111.675781 MB of memory in use. ENERGY: 470400 646.9194 1833.4245 1989.8658 113.9451 1.3939 -1122.8404 0.0000 0.0000 2691.7498 6154.4581 297.3113 3462.7083 6187.0745 299.5180 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: 1917.47, 0.00391648/step Wall: 1917.47, 0.00391648/step, 2.20781 hours remaining, 111.675781 MB of memory in use. ENERGY: 470600 627.5523 1849.1160 1967.2695 112.5060 0.2236 -1107.3434 0.0000 0.0000 2716.2137 6165.5377 300.0134 3449.3240 6200.3771 297.8447 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: 1918.25, 0.00392084/step Wall: 1918.25, 0.00392084/step, 2.21005 hours remaining, 111.675781 MB of memory in use. ENERGY: 470800 683.2597 1808.4307 1976.9471 96.3063 1.7860 -1084.0410 0.0000 0.0000 2703.3912 6186.0801 298.5971 3482.6888 6219.2978 299.5754 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: 1919.04, 0.00392407/step Wall: 1919.04, 0.00392407/step, 2.21165 hours remaining, 111.675781 MB of memory in use. ENERGY: 471000 640.3654 1879.8566 1938.5517 107.0854 2.3010 -1076.3698 0.0000 0.0000 2722.4406 6214.2308 300.7011 3491.7902 6246.3952 299.9724 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: 1919.82, 0.00392237/step Wall: 1919.82, 0.00392237/step, 2.21048 hours remaining, 111.675781 MB of memory in use. ENERGY: 471200 665.0273 1861.9638 1935.2884 121.3038 1.0719 -1074.8034 0.0000 0.0000 2718.2529 6228.1047 300.2386 3509.8518 6261.8812 299.2386 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: 1920.61, 0.00391861/step Wall: 1920.61, 0.00391861/step, 2.20813 hours remaining, 111.675781 MB of memory in use. ENERGY: 471400 660.9367 1877.2724 1923.2608 98.0564 0.9654 -1085.3616 0.0000 0.0000 2731.3540 6206.4841 301.6857 3475.1301 6240.1873 300.3045 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: 1921.39, 0.00392159/step Wall: 1921.39, 0.00392159/step, 2.2096 hours remaining, 111.675781 MB of memory in use. ENERGY: 471600 624.8240 1880.7773 1933.1422 98.7306 1.1818 -1063.6459 0.0000 0.0000 2674.4993 6149.5094 295.4059 3475.0100 6181.8914 297.7422 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: 1922.18, 0.00392449/step Wall: 1922.18, 0.00392448/step, 2.21101 hours remaining, 111.675781 MB of memory in use. ENERGY: 471800 673.2795 1837.1490 1938.1185 105.7657 1.5621 -1069.0881 0.0000 0.0000 2676.9834 6163.7701 295.6803 3486.7867 6194.8482 295.1157 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: 1922.96, 0.00392279/step Wall: 1922.96, 0.0039228/step, 2.20984 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: 472000 654.7084 1872.9477 1925.2547 117.5208 1.0193 -1073.7777 0.0000 0.0000 2685.1449 6182.8181 296.5817 3497.6732 6215.0372 296.6040 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: 1923.75, 0.00392338/step Wall: 1923.75, 0.00392338/step, 2.20995 hours remaining, 111.675781 MB of memory in use. ENERGY: 472200 623.4350 1867.4987 1960.8756 107.4509 1.5807 -1111.8793 0.0000 0.0000 2697.6419 6146.6036 297.9621 3448.9617 6180.2393 297.0935 LDB: ============= START OF LOAD BALANCING ============== 1926.45 LDB: ============== END OF LOAD BALANCING =============== 1926.45 LDB: =============== DONE WITH MIGRATION ================ 1926.45 LDB: ============= START OF LOAD BALANCING ============== 1926.84 LDB: ============== END OF LOAD BALANCING =============== 1926.84 LDB: =============== DONE WITH MIGRATION ================ 1926.84 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: 1924.53, 0.00392386/step Wall: 1924.53, 0.00392386/step, 2.21 hours remaining, 111.675781 MB of memory in use. ENERGY: 472400 660.4741 1893.5086 1931.2692 104.4756 1.0052 -1100.6485 0.0000 0.0000 2684.2379 6174.3221 296.4815 3490.0843 6205.3555 298.3674 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: 1925.32, 0.00393162/step Wall: 1925.32, 0.00393162/step, 2.21415 hours remaining, 111.675781 MB of memory in use. ENERGY: 472600 643.6911 1842.2831 1956.3717 100.3616 1.5142 -1066.5297 0.0000 0.0000 2639.3720 6117.0640 291.5260 3477.6920 6149.2356 295.4482 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: 1926.1, 0.00392637/step Wall: 1926.1, 0.00392637/step, 2.21098 hours remaining, 111.675781 MB of memory in use. ENERGY: 472800 619.5070 1872.9038 1955.6585 96.9257 0.6676 -1072.7587 0.0000 0.0000 2664.5700 6137.4738 294.3092 3472.9038 6171.7261 295.7246 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: 1926.89, 0.00392659/step Wall: 1926.89, 0.00392659/step, 2.21089 hours remaining, 111.675781 MB of memory in use. ENERGY: 473000 651.2790 1798.1178 1951.0977 115.5346 1.1134 -1076.2926 0.0000 0.0000 2748.5310 6189.3809 303.5829 3440.8499 6222.6468 296.1394 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: 1927.67, 0.00392121/step Wall: 1927.67, 0.00392121/step, 2.20764 hours remaining, 111.675781 MB of memory in use. ENERGY: 473200 681.8576 1840.6846 1950.2295 105.6212 0.5282 -1093.4531 0.0000 0.0000 2696.9364 6182.4043 297.8841 3485.4679 6212.8588 299.0678 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: 1928.46, 0.00391735/step Wall: 1928.46, 0.00391735/step, 2.20525 hours remaining, 111.675781 MB of memory in use. ENERGY: 473400 637.7117 1844.0680 1983.2351 111.9266 2.0489 -1073.4032 0.0000 0.0000 2671.5546 6177.1417 295.0806 3505.5871 6213.2273 297.2404 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: 1929.24, 0.00392106/step Wall: 1929.24, 0.00392106/step, 2.20712 hours remaining, 111.675781 MB of memory in use. ENERGY: 473600 654.7046 1868.9104 1942.5975 104.0205 1.5462 -1117.7783 0.0000 0.0000 2715.2168 6169.2177 299.9033 3454.0008 6201.7568 299.7185 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: 1930.02, 0.00392208/step Wall: 1930.02, 0.00392208/step, 2.20748 hours remaining, 111.675781 MB of memory in use. ENERGY: 473800 657.3183 1800.4813 1950.2437 117.1947 0.7780 -1070.5434 0.0000 0.0000 2670.4377 6125.9103 294.9573 3455.4727 6158.0790 296.1080 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: 1930.81, 0.00392186/step Wall: 1930.81, 0.00392186/step, 2.20714 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: 474000 650.9684 1893.7336 1909.5288 109.1776 2.0468 -1054.9497 0.0000 0.0000 2644.4582 6154.9638 292.0878 3510.5056 6181.1886 295.8379 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: 1931.59, 0.00391656/step Wall: 1931.59, 0.00391656/step, 2.20394 hours remaining, 111.675781 MB of memory in use. ENERGY: 474200 654.2880 1886.4243 1961.0819 107.9265 0.7117 -1093.2456 0.0000 0.0000 2720.0501 6237.2367 300.4371 3517.1866 6271.3528 300.0724 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: 1932.38, 0.00392185/step Wall: 1932.38, 0.00392185/step, 2.20669 hours remaining, 111.675781 MB of memory in use. ENERGY: 474400 670.9106 1863.3609 1964.4159 116.0936 1.1275 -1065.8444 0.0000 0.0000 2694.5927 6244.6567 297.6253 3550.0640 6276.7809 301.9515 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: 1933.16, 0.00392123/step Wall: 1933.16, 0.00392123/step, 2.20613 hours remaining, 111.675781 MB of memory in use. ENERGY: 474600 653.8938 1856.0168 1953.8491 112.1367 0.7077 -1090.2442 0.0000 0.0000 2755.3634 6241.7235 304.3376 3486.3600 6275.8469 301.6369 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: 1933.94, 0.00392068/step Wall: 1933.94, 0.00392068/step, 2.2056 hours remaining, 111.675781 MB of memory in use. ENERGY: 474800 657.3203 1877.6346 1966.9986 115.8752 0.4932 -1086.9821 0.0000 0.0000 2737.1528 6268.4925 302.3262 3531.3397 6298.8848 301.5914 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: 1934.73, 0.00392115/step Wall: 1934.73, 0.00392115/step, 2.20564 hours remaining, 111.675781 MB of memory in use. ENERGY: 475000 664.1279 1902.2715 1974.2784 110.4232 1.0050 -1105.3714 0.0000 0.0000 2708.6698 6255.4045 299.1801 3546.7347 6286.6813 301.8958 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: 1935.51, 0.00391713/step Wall: 1935.51, 0.00391713/step, 2.20317 hours remaining, 111.675781 MB of memory in use. ENERGY: 475200 665.6780 1869.1073 1947.4540 113.0555 1.0190 -1057.2093 0.0000 0.0000 2729.4320 6268.5365 301.4734 3539.1044 6303.4494 302.4208 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: 1936.3, 0.00392177/step Wall: 1936.3, 0.00392177/step, 2.20556 hours remaining, 111.675781 MB of memory in use. ENERGY: 475400 710.1975 1862.3706 1972.0984 95.0733 0.6053 -1089.8705 0.0000 0.0000 2762.2544 6312.7290 305.0987 3550.4746 6345.4403 303.9387 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: 1937.08, 0.00392087/step Wall: 1937.08, 0.00392087/step, 2.20484 hours remaining, 111.675781 MB of memory in use. ENERGY: 475600 640.4585 1864.7655 1968.3850 121.7785 1.2527 -1039.3157 0.0000 0.0000 2737.0497 6294.3742 302.3148 3557.3245 6327.7815 304.4176 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: 1937.86, 0.00392096/step Wall: 1937.86, 0.00392096/step, 2.20467 hours remaining, 111.675781 MB of memory in use. ENERGY: 475800 622.1282 1863.4542 1935.3459 113.6560 1.7420 -1070.4606 0.0000 0.0000 2783.7525 6249.6182 307.4732 3465.8657 6282.7193 303.0205 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: 1938.65, 0.00391989/step Wall: 1938.65, 0.00391988/step, 2.20384 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: 476000 646.3119 1855.2086 1956.3865 103.6530 2.1137 -1047.1239 0.0000 0.0000 2677.2707 6193.8205 295.7120 3516.5498 6225.2660 299.7266 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: 1939.43, 0.00391854/step Wall: 1939.43, 0.00391855/step, 2.20288 hours remaining, 111.675781 MB of memory in use. ENERGY: 476200 668.7710 1793.0861 1950.1552 112.8447 2.2496 -1060.5021 0.0000 0.0000 2732.8867 6199.4911 301.8549 3466.6044 6236.7170 299.9256 LDB: ============= START OF LOAD BALANCING ============== 1942.13 LDB: ============== END OF LOAD BALANCING =============== 1942.13 LDB: =============== DONE WITH MIGRATION ================ 1942.13 LDB: ============= START OF LOAD BALANCING ============== 1942.53 LDB: ============== END OF LOAD BALANCING =============== 1942.53 LDB: =============== DONE WITH MIGRATION ================ 1942.53 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: 1940.22, 0.00392601/step Wall: 1940.22, 0.00392601/step, 2.20685 hours remaining, 111.675781 MB of memory in use. ENERGY: 476400 647.2854 1853.1164 1938.2274 98.7713 2.3808 -1074.2942 0.0000 0.0000 2697.9160 6163.4032 297.9923 3465.4872 6194.7049 300.2527 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: 1941, 0.00392164/step Wall: 1941, 0.00392164/step, 2.20418 hours remaining, 111.675781 MB of memory in use. ENERGY: 476600 644.0215 1786.2093 1961.8605 112.9276 2.1730 -1078.6774 0.0000 0.0000 2727.7535 6156.2680 301.2880 3428.5145 6190.1065 297.1647 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: 1941.79, 0.00392051/step Wall: 1941.79, 0.00392051/step, 2.20332 hours remaining, 111.675781 MB of memory in use. ENERGY: 476800 643.9411 1827.7641 1974.0262 109.7946 2.7912 -1118.5097 0.0000 0.0000 2717.4817 6157.2893 300.1534 3439.8076 6192.7495 296.8585 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: 1942.57, 0.00391801/step Wall: 1942.57, 0.00391801/step, 2.2017 hours remaining, 111.675781 MB of memory in use. ENERGY: 477000 665.9773 1839.4768 1976.0867 102.5553 3.1007 -1123.3842 0.0000 0.0000 2679.9730 6143.7857 296.0105 3463.8127 6178.8340 297.2493 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: 1943.35, 0.00392123/step Wall: 1943.35, 0.00392123/step, 2.2033 hours remaining, 111.675781 MB of memory in use. ENERGY: 477200 658.8511 1868.7317 1951.0791 111.9457 1.7276 -1093.6961 0.0000 0.0000 2654.4801 6153.1192 293.1947 3498.6391 6185.1723 298.1726 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: 1944.14, 0.00392176/step Wall: 1944.14, 0.00392176/step, 2.20338 hours remaining, 111.675781 MB of memory in use. ENERGY: 477400 645.9054 1819.4670 1942.5739 102.3199 2.1194 -1086.7175 0.0000 0.0000 2706.1150 6131.7832 298.8979 3425.6682 6165.0843 296.8604 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: 1944.92, 0.00392258/step Wall: 1944.92, 0.00392258/step, 2.20362 hours remaining, 111.675781 MB of memory in use. ENERGY: 477600 632.5767 1848.1165 1951.3737 107.6287 2.2985 -1087.1485 0.0000 0.0000 2671.6149 6126.4606 295.0873 3454.8458 6161.4432 298.5721 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: 1945.71, 0.00392104/step Wall: 1945.71, 0.00392104/step, 2.20253 hours remaining, 111.675781 MB of memory in use. ENERGY: 477800 643.0936 1858.1460 1952.7121 109.9261 3.4859 -1098.1131 0.0000 0.0000 2718.0650 6187.3158 300.2179 3469.2507 6220.8470 297.6511 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: 1946.49, 0.00391924/step Wall: 1946.49, 0.00391924/step, 2.20131 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: 478000 634.2803 1868.7953 1954.8634 113.1082 2.3784 -1094.6099 0.0000 0.0000 2715.1684 6193.9841 299.8979 3478.8157 6228.5357 299.6767 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: 1947.27, 0.00392185/step Wall: 1947.27, 0.00392185/step, 2.20255 hours remaining, 111.675781 MB of memory in use. ENERGY: 478200 625.7067 1810.4617 1961.9189 109.9508 2.2742 -1023.2855 0.0000 0.0000 2694.9244 6181.9513 297.6619 3487.0269 6216.7399 298.8753 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: 1948.06, 0.00392234/step Wall: 1948.06, 0.00392234/step, 2.20261 hours remaining, 111.675781 MB of memory in use. ENERGY: 478400 647.7666 1837.8567 1966.4703 100.4922 1.1870 -1064.3549 0.0000 0.0000 2712.2562 6201.6741 299.5763 3489.4179 6235.8296 299.6991 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: 1948.84, 0.00392316/step Wall: 1948.84, 0.00392316/step, 2.20285 hours remaining, 111.675781 MB of memory in use. ENERGY: 478600 685.3025 1845.8499 1975.7249 109.3494 1.2076 -1110.6493 0.0000 0.0000 2739.0832 6245.8682 302.5394 3506.7850 6278.1631 302.4753 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: 1949.63, 0.00391834/step Wall: 1949.63, 0.00391834/step, 2.19993 hours remaining, 111.675781 MB of memory in use. ENERGY: 478800 673.0140 1846.7446 1960.5429 104.5271 1.7811 -1056.4777 0.0000 0.0000 2722.5760 6252.7080 300.7161 3530.1320 6286.1445 303.0405 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: 1950.41, 0.00392227/step Wall: 1950.41, 0.00392227/step, 2.20192 hours remaining, 111.675781 MB of memory in use. ENERGY: 479000 685.3844 1861.7513 1954.7895 107.8389 2.0855 -1118.5064 0.0000 0.0000 2702.5269 6195.8702 298.5016 3493.3433 6227.6799 299.4921 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: 1951.2, 0.00392172/step Wall: 1951.2, 0.00392172/step, 2.20139 hours remaining, 111.675781 MB of memory in use. ENERGY: 479200 643.6991 1868.7408 1940.5670 107.3919 2.8523 -1087.5528 0.0000 0.0000 2749.9877 6225.6859 303.7438 3475.6982 6259.9078 300.0872 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: 1951.98, 0.00392018/step Wall: 1951.98, 0.00392018/step, 2.20031 hours remaining, 111.675781 MB of memory in use. ENERGY: 479400 645.5354 1845.9256 1963.7905 90.3333 1.6840 -1060.6323 0.0000 0.0000 2721.0052 6207.6417 300.5426 3486.6365 6240.9626 299.4586 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: 1952.76, 0.00392191/step Wall: 1952.76, 0.00392191/step, 2.20106 hours remaining, 111.675781 MB of memory in use. ENERGY: 479600 655.6773 1920.5298 1929.1792 82.8878 3.3946 -1078.7334 0.0000 0.0000 2706.5884 6219.5236 298.9502 3512.9353 6251.6751 300.0496 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: 1953.55, 0.00391652/step Wall: 1953.55, 0.00391652/step, 2.19782 hours remaining, 111.675781 MB of memory in use. ENERGY: 479800 665.1183 1862.7349 1926.7341 99.6257 2.5686 -1063.9474 0.0000 0.0000 2716.8316 6209.6659 300.0816 3492.8342 6240.7608 301.2825 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: 1954.33, 0.00392301/step Wall: 1954.33, 0.00392301/step, 2.20124 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: 480000 673.7447 1916.1821 1950.8407 122.4150 1.8993 -1097.9960 0.0000 0.0000 2704.7978 6271.8836 298.7525 3567.0858 6302.6403 300.5788 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 480000 WRITING COORDINATES TO DCD FILE MD.1.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: 1957.05, 0.0135794/step Wall: 1957.05, 0.0135794/step, 7.61879 hours remaining, 111.675781 MB of memory in use. ENERGY: 480200 646.3152 1860.3922 1936.6909 116.0054 1.8788 -1074.9550 0.0000 0.0000 2745.8974 6232.2250 303.2920 3486.3276 6269.2910 301.5957 LDB: ============= START OF LOAD BALANCING ============== 1959.75 LDB: ============== END OF LOAD BALANCING =============== 1959.75 LDB: =============== DONE WITH MIGRATION ================ 1959.75 LDB: ============= START OF LOAD BALANCING ============== 1960.14 LDB: ============== END OF LOAD BALANCING =============== 1960.14 LDB: =============== DONE WITH MIGRATION ================ 1960.14 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: 1957.83, 0.00392481/step Wall: 1957.83, 0.00392481/step, 2.20182 hours remaining, 111.675781 MB of memory in use. ENERGY: 480400 682.8435 1865.4215 1956.4760 109.7461 2.4765 -1092.4165 0.0000 0.0000 2763.7966 6288.3437 305.2690 3524.5471 6322.5043 303.4697 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: 1958.62, 0.00391711/step Wall: 1958.62, 0.00391711/step, 2.19728 hours remaining, 111.675781 MB of memory in use. ENERGY: 480600 637.6229 1851.1399 1940.6656 112.7259 1.5366 -1083.9267 0.0000 0.0000 2779.7579 6239.5221 307.0320 3459.7642 6275.9921 303.1678 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: 1959.4, 0.00392051/step Wall: 1959.4, 0.00392051/step, 2.19897 hours remaining, 111.675781 MB of memory in use. ENERGY: 480800 634.8852 1896.0380 1941.3663 110.4968 0.4715 -1073.2442 0.0000 0.0000 2714.4901 6224.5037 299.8230 3510.0136 6259.1763 300.4455 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: 1960.18, 0.00391914/step Wall: 1960.18, 0.00391914/step, 2.19798 hours remaining, 111.675781 MB of memory in use. ENERGY: 481000 632.3366 1825.3023 1960.5919 106.3959 0.6016 -1056.9415 0.0000 0.0000 2711.8734 6180.1602 299.5340 3468.2868 6212.2435 300.1642 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: 1960.97, 0.00392069/step Wall: 1960.97, 0.00392069/step, 2.19864 hours remaining, 111.675781 MB of memory in use. ENERGY: 481200 651.3585 1837.8536 1945.1701 113.5170 1.0663 -1085.2395 0.0000 0.0000 2670.6310 6134.3569 294.9786 3463.7259 6167.4443 298.2502 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: 1961.75, 0.00391919/step Wall: 1961.75, 0.00391919/step, 2.19757 hours remaining, 111.675781 MB of memory in use. ENERGY: 481400 622.3365 1867.9171 1909.0458 115.1743 1.0959 -1072.8635 0.0000 0.0000 2677.4753 6120.1813 295.7346 3442.7061 6150.4803 296.8884 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: 1962.54, 0.0039183/step Wall: 1962.54, 0.0039183/step, 2.19686 hours remaining, 111.675781 MB of memory in use. ENERGY: 481600 597.6382 1814.3251 1927.6043 111.0633 2.0416 -1073.7358 0.0000 0.0000 2740.5140 6119.4507 302.6974 3378.9367 6154.7255 296.0646 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: 1963.32, 0.00392078/step Wall: 1963.32, 0.00392078/step, 2.19803 hours remaining, 111.675781 MB of memory in use. ENERGY: 481800 645.9208 1864.2721 1937.8464 111.4862 1.3154 -1054.5070 0.0000 0.0000 2598.9546 6105.2885 287.0618 3506.3338 6134.3611 294.7552 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: 1964.1, 0.00391932/step Wall: 1964.1, 0.00391932/step, 2.197 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: 482000 675.4520 1851.3723 1929.7596 104.1765 1.1621 -1080.4185 0.0000 0.0000 2655.9657 6137.4696 293.3588 3481.5040 6169.3497 296.7093 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: 1964.89, 0.00392089/step Wall: 1964.89, 0.00392089/step, 2.19766 hours remaining, 111.675781 MB of memory in use. ENERGY: 482200 617.7534 1876.2440 1968.0476 114.0578 2.6965 -1093.5839 0.0000 0.0000 2712.4259 6197.6412 299.5950 3485.2154 6233.4687 298.4126 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: 1965.67, 0.00391829/step Wall: 1965.67, 0.0039183/step, 2.19599 hours remaining, 111.675781 MB of memory in use. ENERGY: 482400 636.1101 1886.8011 1922.7203 101.4227 2.0675 -1116.4245 0.0000 0.0000 2687.2561 6119.9533 296.8149 3432.6972 6154.2644 298.3176 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: 1966.46, 0.00392384/step Wall: 1966.46, 0.00392384/step, 2.19888 hours remaining, 111.675781 MB of memory in use. ENERGY: 482600 659.1164 1814.9961 1938.6705 116.9215 1.5944 -1058.1003 0.0000 0.0000 2665.5725 6138.7712 294.4199 3473.1987 6171.2935 294.1540 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: 1967.24, 0.00392006/step Wall: 1967.24, 0.00392006/step, 2.19654 hours remaining, 111.675781 MB of memory in use. ENERGY: 482800 665.6946 1820.1666 1959.4689 95.7470 1.7723 -1055.9858 0.0000 0.0000 2652.5501 6139.4136 292.9815 3486.8636 6172.4589 296.7851 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: 1968.03, 0.00392108/step Wall: 1968.03, 0.00392108/step, 2.19689 hours remaining, 111.675781 MB of memory in use. ENERGY: 483000 644.8975 1878.3514 1947.3891 110.8644 1.6634 -1118.9750 0.0000 0.0000 2698.3881 6162.5790 298.0445 3464.1909 6195.1162 296.9920 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: 1968.81, 0.00392147/step Wall: 1968.81, 0.00392147/step, 2.19689 hours remaining, 111.675781 MB of memory in use. ENERGY: 483200 632.2032 1836.1217 1933.4233 104.7991 1.2302 -1105.7055 0.0000 0.0000 2764.8113 6166.8834 305.3811 3402.0721 6201.9690 297.7758 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: 1969.59, 0.00391643/step Wall: 1969.59, 0.00391643/step, 2.19385 hours remaining, 111.675781 MB of memory in use. ENERGY: 483400 616.8458 1889.9490 1967.6258 118.4530 2.3230 -1087.0901 0.0000 0.0000 2733.3802 6241.4867 301.9095 3508.1065 6274.9687 300.5793 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: 1970.38, 0.0039217/step Wall: 1970.38, 0.0039217/step, 2.19659 hours remaining, 111.675781 MB of memory in use. ENERGY: 483600 657.1785 1849.8567 1960.8582 106.5901 1.2406 -1073.8418 0.0000 0.0000 2706.8338 6208.7161 298.9773 3501.8823 6241.2183 300.5883 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: 1971.16, 0.00391891/step Wall: 1971.16, 0.00391891/step, 2.19481 hours remaining, 111.675781 MB of memory in use. ENERGY: 483800 676.7149 1854.7471 1954.6457 107.0031 0.5032 -1081.8781 0.0000 0.0000 2711.3051 6223.0411 299.4712 3511.7360 6255.3068 300.2973 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: 1971.95, 0.00392215/step Wall: 1971.95, 0.00392215/step, 2.1964 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: 484000 651.8900 1841.7576 1936.7095 101.4672 1.4519 -1050.6344 0.0000 0.0000 2769.8983 6252.5402 305.9430 3482.6419 6288.2939 301.5469 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: 1972.73, 0.00392244/step Wall: 1972.73, 0.00392244/step, 2.19635 hours remaining, 111.675781 MB of memory in use. ENERGY: 484200 670.5125 1897.5073 1930.9808 103.9209 2.0261 -1107.4269 0.0000 0.0000 2786.3751 6283.8958 307.7629 3497.5208 6320.5620 302.4284 LDB: ============= START OF LOAD BALANCING ============== 1975.43 LDB: ============== END OF LOAD BALANCING =============== 1975.43 LDB: =============== DONE WITH MIGRATION ================ 1975.43 LDB: ============= START OF LOAD BALANCING ============== 1975.82 LDB: ============== END OF LOAD BALANCING =============== 1975.82 LDB: =============== DONE WITH MIGRATION ================ 1975.82 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: 1973.51, 0.00391982/step Wall: 1973.51, 0.00391982/step, 2.19466 hours remaining, 111.675781 MB of memory in use. ENERGY: 484400 636.2959 1847.1738 1940.3418 108.2275 0.7296 -1075.3314 0.0000 0.0000 2753.2249 6210.6620 304.1014 3457.4371 6244.2576 302.2265 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: 1974.3, 0.00391993/step Wall: 1974.3, 0.00391993/step, 2.19451 hours remaining, 111.675781 MB of memory in use. ENERGY: 484600 622.0182 1880.8110 1947.2217 127.1729 0.8657 -1074.5237 0.0000 0.0000 2660.4306 6163.9964 293.8520 3503.5658 6195.9841 298.1791 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: 1975.08, 0.0039222/step Wall: 1975.08, 0.0039222/step, 2.19556 hours remaining, 111.675781 MB of memory in use. ENERGY: 484800 662.5780 1878.1461 1967.9917 100.3039 0.7530 -1096.1039 0.0000 0.0000 2726.7266 6240.3954 301.1745 3513.6688 6273.5448 300.5452 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: 1975.87, 0.00392237/step Wall: 1975.87, 0.00392237/step, 2.19544 hours remaining, 111.675781 MB of memory in use. ENERGY: 485000 684.8671 1812.8627 1937.0730 92.4102 0.8271 -1118.1273 0.0000 0.0000 2741.5272 6151.4400 302.8093 3409.9128 6184.7248 299.1493 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: 1976.65, 0.00391681/step Wall: 1976.65, 0.00391681/step, 2.19211 hours remaining, 111.675781 MB of memory in use. ENERGY: 485200 653.0946 1819.7776 1969.4072 102.0448 2.7592 -1072.0020 0.0000 0.0000 2710.1634 6185.2449 299.3451 3475.0816 6219.0241 297.6130 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: 1977.43, 0.00392106/step Wall: 1977.43, 0.00392106/step, 2.19427 hours remaining, 111.675781 MB of memory in use. ENERGY: 485400 677.4616 1881.6023 1943.3835 105.4787 1.9424 -1103.8546 0.0000 0.0000 2667.9367 6173.9504 294.6810 3506.0138 6203.7275 298.6586 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: 1978.22, 0.00392147/step Wall: 1978.22, 0.00392147/step, 2.19428 hours remaining, 111.675781 MB of memory in use. ENERGY: 485600 695.2651 1867.1935 1957.7609 115.8062 2.4633 -1132.6484 0.0000 0.0000 2680.7859 6186.6265 296.1003 3505.8406 6217.6216 298.2483 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: 1979, 0.00392478/step Wall: 1979, 0.00392478/step, 2.19591 hours remaining, 111.675781 MB of memory in use. ENERGY: 485800 651.2280 1847.6676 1938.4721 102.0218 1.9672 -1087.6467 0.0000 0.0000 2733.8843 6187.5943 301.9651 3453.7100 6219.9020 300.7067 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: 1979.79, 0.00392221/step Wall: 1979.79, 0.00392221/step, 2.19426 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: 486000 663.7381 1860.7797 1972.5568 91.4850 2.0702 -1103.4071 0.0000 0.0000 2696.4899 6183.7126 297.8348 3487.2227 6216.9417 299.0515 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: 1980.57, 0.00391943/step Wall: 1980.57, 0.00391943/step, 2.19248 hours remaining, 111.675781 MB of memory in use. ENERGY: 486200 634.6845 1840.4841 1905.7895 96.7891 2.9348 -1066.4123 0.0000 0.0000 2702.3558 6116.6256 298.4827 3414.2698 6146.7393 297.4024 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: 1981.36, 0.00392343/step Wall: 1981.36, 0.00392343/step, 2.1945 hours remaining, 111.675781 MB of memory in use. ENERGY: 486400 627.9958 1771.3300 1953.0267 115.5338 2.4736 -1067.5212 0.0000 0.0000 2716.2602 6119.0989 300.0185 3402.8387 6154.9357 295.1417 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: 1982.14, 0.00392236/step Wall: 1982.14, 0.00392236/step, 2.19369 hours remaining, 111.675781 MB of memory in use. ENERGY: 486600 648.9607 1848.6162 1956.3246 106.5928 1.8607 -1076.8917 0.0000 0.0000 2668.3757 6153.8391 294.7295 3485.4634 6183.1160 296.3141 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: 1982.93, 0.00392216/step Wall: 1982.93, 0.00392216/step, 2.19336 hours remaining, 111.675781 MB of memory in use. ENERGY: 486800 653.9118 1820.4573 1932.0796 92.1074 1.5466 -1042.0658 0.0000 0.0000 2708.6807 6166.7176 299.1813 3458.0369 6199.3727 297.7771 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: 1983.71, 0.00391636/step Wall: 1983.71, 0.00391636/step, 2.1899 hours remaining, 111.675781 MB of memory in use. ENERGY: 487000 652.2181 1825.1983 1962.4024 108.0654 2.7281 -1071.3939 0.0000 0.0000 2682.9288 6162.1472 296.3370 3479.2184 6198.3456 298.0503 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: 1984.49, 0.00392337/step Wall: 1984.49, 0.00392337/step, 2.1936 hours remaining, 111.675781 MB of memory in use. ENERGY: 487200 626.8461 1879.7660 1930.9594 104.5855 3.4636 -1068.7154 0.0000 0.0000 2690.0343 6166.9394 297.1218 3476.9051 6198.2745 297.0897 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: 1985.28, 0.00393075/step Wall: 1985.28, 0.00393075/step, 2.1975 hours remaining, 111.675781 MB of memory in use. ENERGY: 487400 678.8632 1829.0761 1953.4736 119.5099 1.7401 -1083.1138 0.0000 0.0000 2711.2789 6210.8280 299.4683 3499.5491 6241.5145 300.4669 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: 1986.06, 0.00392576/step Wall: 1986.06, 0.00392576/step, 2.1945 hours remaining, 111.675781 MB of memory in use. ENERGY: 487600 697.2993 1865.3709 1962.4352 105.8792 1.9694 -1112.6943 0.0000 0.0000 2634.8955 6155.1552 291.0315 3520.2597 6187.1940 297.5629 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: 1986.85, 0.00392674/step Wall: 1986.85, 0.00392674/step, 2.19483 hours remaining, 111.675781 MB of memory in use. ENERGY: 487800 627.1251 1864.2148 1947.2234 107.6587 0.7651 -1067.9040 0.0000 0.0000 2715.1254 6194.2086 299.8932 3479.0831 6228.5713 297.7053 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: 1987.63, 0.00391716/step Wall: 1987.63, 0.00391716/step, 2.18926 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: 488000 628.7734 1848.1116 1948.5453 111.3691 1.2178 -1078.0707 0.0000 0.0000 2700.5059 6160.4524 298.2784 3459.9465 6194.6482 300.2635 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: 1988.42, 0.00392434/step Wall: 1988.42, 0.00392434/step, 2.19305 hours remaining, 111.675781 MB of memory in use. ENERGY: 488200 664.5107 1796.6489 1937.3919 114.3317 -0.0550 -1102.0535 0.0000 0.0000 2707.8338 6118.6085 299.0878 3410.7747 6150.2139 297.7134 LDB: ============= START OF LOAD BALANCING ============== 1991.12 LDB: ============== END OF LOAD BALANCING =============== 1991.12 LDB: =============== DONE WITH MIGRATION ================ 1991.12 LDB: ============= START OF LOAD BALANCING ============== 1991.51 LDB: ============== END OF LOAD BALANCING =============== 1991.51 LDB: =============== DONE WITH MIGRATION ================ 1991.51 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: 1989.2, 0.00392589/step Wall: 1989.2, 0.0039259/step, 2.19371 hours remaining, 111.675781 MB of memory in use. ENERGY: 488400 683.8478 1810.2290 1934.5076 103.4078 0.4253 -1107.3615 0.0000 0.0000 2679.7148 6104.7707 295.9820 3425.0559 6139.5099 294.2638 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: 1989.99, 0.00392201/step Wall: 1989.99, 0.00392201/step, 2.19131 hours remaining, 111.675781 MB of memory in use. ENERGY: 488600 636.3202 1838.8479 1957.6827 103.4646 2.9272 -1047.7907 0.0000 0.0000 2630.6254 6122.0774 290.5599 3491.4519 6151.7083 294.8831 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: 1990.77, 0.00392273/step Wall: 1990.77, 0.00392273/step, 2.1915 hours remaining, 111.675781 MB of memory in use. ENERGY: 488800 643.9177 1773.3854 1962.5851 110.8956 1.5096 -1092.9910 0.0000 0.0000 2712.6043 6111.9068 299.6147 3399.3025 6145.8954 294.6027 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: 1991.56, 0.00391587/step Wall: 1991.56, 0.00391587/step, 2.18745 hours remaining, 111.675781 MB of memory in use. ENERGY: 489000 654.5525 1865.0632 1923.4212 110.7000 2.0766 -1098.3199 0.0000 0.0000 2736.1929 6193.6866 302.2201 3457.4936 6225.5494 297.6541 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: 1992.34, 0.00392261/step Wall: 1992.34, 0.00392261/step, 2.191 hours remaining, 111.675781 MB of memory in use. ENERGY: 489200 635.2310 1815.1759 1963.0855 115.9965 1.0056 -1099.7481 0.0000 0.0000 2720.5605 6151.3068 300.4935 3430.7464 6183.4934 298.2874 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: 1993.12, 0.00391853/step Wall: 1993.12, 0.00391853/step, 2.1885 hours remaining, 111.675781 MB of memory in use. ENERGY: 489400 657.9724 1840.0546 1951.9985 108.9832 1.4206 -1118.4655 0.0000 0.0000 2704.4907 6146.4545 298.7185 3441.9639 6179.6890 295.8164 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: 1993.91, 0.00391988/step Wall: 1993.91, 0.00391988/step, 2.18904 hours remaining, 111.675781 MB of memory in use. ENERGY: 489600 652.7329 1853.0338 1959.0057 116.3198 3.5539 -1108.9861 0.0000 0.0000 2688.9970 6164.6570 297.0072 3475.6600 6196.7829 297.1842 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: 1994.69, 0.0039179/step Wall: 1994.69, 0.0039179/step, 2.18771 hours remaining, 111.675781 MB of memory in use. ENERGY: 489800 628.5002 1954.6015 1932.7602 102.5014 0.9366 -1090.1329 0.0000 0.0000 2693.7733 6222.9403 297.5348 3529.1671 6258.1005 299.4412 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: 1995.48, 0.00392064/step Wall: 1995.48, 0.00392064/step, 2.18902 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: 490000 643.0510 1893.0955 1967.5171 99.4458 1.2638 -1054.6231 0.0000 0.0000 2651.0949 6200.8450 292.8208 3549.7501 6231.9893 298.6532 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 490000 WRITING COORDINATES TO DCD FILE MD.1.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: 1996.34, 0.00434484/step Wall: 1996.34, 0.00434484/step, 2.42563 hours remaining, 111.675781 MB of memory in use. ENERGY: 490200 664.4255 1881.3863 1946.5211 95.2787 1.0352 -1062.9713 0.0000 0.0000 2717.6175 6243.2930 300.1684 3525.6756 6276.1026 300.5867 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: 1997.13, 0.00392032/step Wall: 1997.13, 0.00392031/step, 2.1884 hours remaining, 111.675781 MB of memory in use. ENERGY: 490400 704.7147 1885.5581 1945.8614 114.3841 0.4566 -1125.4551 0.0000 0.0000 2753.9540 6279.4739 304.1819 3525.5199 6310.3895 302.9695 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: 1997.92, 0.00393829/step Wall: 1997.92, 0.0039383/step, 2.19823 hours remaining, 111.675781 MB of memory in use. ENERGY: 490600 655.3420 1905.3931 1955.5607 111.1569 1.3046 -1102.8700 0.0000 0.0000 2724.7961 6250.6834 300.9613 3525.8873 6285.6421 304.5247 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: 1998.7, 0.00391858/step Wall: 1998.7, 0.00391858/step, 2.18701 hours remaining, 111.675781 MB of memory in use. ENERGY: 490800 667.1608 1815.1910 1939.0822 107.5204 2.2524 -1056.1648 0.0000 0.0000 2802.3706 6277.4125 309.5296 3475.0419 6313.2950 303.8285 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: 1999.48, 0.0039216/step Wall: 1999.48, 0.0039216/step, 2.18847 hours remaining, 111.675781 MB of memory in use. ENERGY: 491000 653.7786 1897.8222 1945.8012 107.9388 2.4815 -1111.5060 0.0000 0.0000 2767.0645 6263.3807 305.6300 3496.3162 6298.0274 303.8455 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: 2000.27, 0.00392068/step Wall: 2000.27, 0.00392068/step, 2.18774 hours remaining, 111.675781 MB of memory in use. ENERGY: 491200 666.2254 1829.8774 1984.3838 101.4099 2.0545 -1088.4821 0.0000 0.0000 2734.3617 6229.8307 302.0179 3495.4690 6265.6802 303.1459 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: 2001.05, 0.00392071/step Wall: 2001.05, 0.00392071/step, 2.18754 hours remaining, 111.675781 MB of memory in use. ENERGY: 491400 646.3412 1897.2058 1958.5464 103.2101 1.7175 -1078.4699 0.0000 0.0000 2734.7733 6263.3243 302.0633 3528.5511 6299.4287 302.8549 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: 2001.84, 0.00392058/step Wall: 2001.84, 0.00392058/step, 2.18725 hours remaining, 111.675781 MB of memory in use. ENERGY: 491600 632.2104 1875.6632 1959.3587 102.5873 0.9291 -1095.9703 0.0000 0.0000 2740.1052 6214.8837 302.6523 3474.7785 6251.7512 302.7347 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: 2002.62, 0.00391793/step Wall: 2002.62, 0.00391793/step, 2.18555 hours remaining, 111.675781 MB of memory in use. ENERGY: 491800 627.8763 1851.7388 1951.6832 105.6423 1.1666 -1056.9467 0.0000 0.0000 2731.5253 6212.6858 301.7046 3481.1604 6245.6157 299.3231 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: 2003.4, 0.00392007/step Wall: 2003.4, 0.00392007/step, 2.18653 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: 492000 657.7052 1837.2457 1955.5125 107.5088 1.6622 -1110.8559 0.0000 0.0000 2728.8948 6177.6732 301.4140 3448.7784 6209.5568 299.9648 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: 2004.19, 0.00392074/step Wall: 2004.19, 0.00392074/step, 2.18669 hours remaining, 111.675781 MB of memory in use. ENERGY: 492200 617.5519 1897.2407 1931.9581 109.8130 1.6958 -1087.2951 0.0000 0.0000 2683.6609 6154.6254 296.4178 3470.9646 6187.6671 298.3270 LDB: ============= START OF LOAD BALANCING ============== 2006.89 LDB: ============== END OF LOAD BALANCING =============== 2006.89 LDB: =============== DONE WITH MIGRATION ================ 2006.89 LDB: ============= START OF LOAD BALANCING ============== 2007.28 LDB: ============== END OF LOAD BALANCING =============== 2007.28 LDB: =============== DONE WITH MIGRATION ================ 2007.28 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: 2004.97, 0.00392733/step Wall: 2004.97, 0.00392733/step, 2.19014 hours remaining, 111.675781 MB of memory in use. ENERGY: 492400 684.6993 1874.0410 1941.5487 103.2234 2.4138 -1054.6940 0.0000 0.0000 2638.2321 6189.4645 291.4001 3551.2323 6221.4605 298.3926 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: 2005.76, 0.00391872/step Wall: 2005.76, 0.00391872/step, 2.18512 hours remaining, 111.675781 MB of memory in use. ENERGY: 492600 651.9461 1844.7943 1936.9180 99.7267 1.3629 -1089.7330 0.0000 0.0000 2720.3089 6165.3239 300.4657 3445.0150 6197.3200 298.3796 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: 2006.54, 0.00392232/step Wall: 2006.54, 0.00392232/step, 2.18691 hours remaining, 111.675781 MB of memory in use. ENERGY: 492800 682.6587 1827.8990 1919.8008 100.4851 0.9536 -1108.0403 0.0000 0.0000 2731.4685 6155.2252 301.6983 3423.7568 6189.4996 297.8923 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: 2007.33, 0.00392228/step Wall: 2007.33, 0.00392227/step, 2.18667 hours remaining, 111.675781 MB of memory in use. ENERGY: 493000 650.2863 1878.9972 1917.5324 103.9971 1.5616 -1102.4185 0.0000 0.0000 2734.7321 6184.6881 302.0588 3449.9560 6221.2738 300.2050 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: 2008.11, 0.003922/step Wall: 2008.11, 0.00392201/step, 2.1863 hours remaining, 111.675781 MB of memory in use. ENERGY: 493200 662.1860 1866.1488 1917.8277 115.4676 1.3529 -1114.8593 0.0000 0.0000 2689.8770 6138.0006 297.1044 3448.1235 6169.4603 299.6133 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: 2008.9, 0.0039228/step Wall: 2008.9, 0.0039228/step, 2.18652 hours remaining, 111.675781 MB of memory in use. ENERGY: 493400 653.8014 1871.3251 1943.4799 106.4143 2.2351 -1093.6733 0.0000 0.0000 2696.1834 6179.7659 297.8010 3483.5825 6214.0190 298.3382 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: 2009.68, 0.00391675/step Wall: 2009.68, 0.00391675/step, 2.18294 hours remaining, 111.675781 MB of memory in use. ENERGY: 493600 638.3722 1871.6995 1938.7882 103.5867 2.2652 -1073.4612 0.0000 0.0000 2704.7908 6186.0413 298.7517 3481.2505 6219.1306 299.2437 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: 2010.46, 0.00392139/step Wall: 2010.46, 0.00392139/step, 2.1853 hours remaining, 111.675781 MB of memory in use. ENERGY: 493800 709.7460 1845.7866 1966.9101 112.7267 1.3735 -1090.7867 0.0000 0.0000 2699.3963 6245.1526 298.1558 3545.7563 6276.9684 298.7929 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: 2011.25, 0.00392112/step Wall: 2011.25, 0.00392112/step, 2.18494 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: 494000 658.1760 1878.9500 1952.2537 112.4734 1.0520 -1089.8451 0.0000 0.0000 2719.5045 6232.5645 300.3768 3513.0600 6266.8977 301.1965 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: 2012.03, 0.00392222/step Wall: 2012.03, 0.00392222/step, 2.18533 hours remaining, 111.675781 MB of memory in use. ENERGY: 494200 643.9873 1893.1803 1967.9965 115.3421 1.4998 -1093.8754 0.0000 0.0000 2691.3017 6219.4323 297.2618 3528.1306 6251.5411 301.5348 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: 2012.82, 0.00392246/step Wall: 2012.82, 0.00392246/step, 2.18524 hours remaining, 111.675781 MB of memory in use. ENERGY: 494400 664.2389 1876.4414 1936.8756 116.5068 0.8303 -1110.1435 0.0000 0.0000 2745.6663 6230.4158 303.2665 3484.7495 6263.9909 302.5793 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: 2013.6, 0.00391675/step Wall: 2013.6, 0.00391675/step, 2.18185 hours remaining, 111.675781 MB of memory in use. ENERGY: 494600 666.3261 1921.8746 1927.8883 106.4247 2.2690 -1108.6553 0.0000 0.0000 2693.2536 6209.3810 297.4774 3516.1274 6240.5064 302.5180 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: 2014.38, 0.00392351/step Wall: 2014.38, 0.00392351/step, 2.1854 hours remaining, 111.675781 MB of memory in use. ENERGY: 494800 667.5407 1892.8672 1947.4276 111.6746 1.5639 -1105.9779 0.0000 0.0000 2740.9128 6256.0088 302.7415 3515.0961 6290.0706 302.2095 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: 2015.17, 0.00392117/step Wall: 2015.17, 0.00392117/step, 2.18387 hours remaining, 111.675781 MB of memory in use. ENERGY: 495000 649.5257 1913.9837 1929.3671 98.8437 0.4515 -1082.7475 0.0000 0.0000 2725.6408 6235.0650 301.0546 3509.4241 6270.5945 302.6302 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: 2015.95, 0.00392142/step Wall: 2015.95, 0.00392142/step, 2.1838 hours remaining, 111.675781 MB of memory in use. ENERGY: 495200 664.3003 1888.2568 1967.2984 94.9485 0.8532 -1090.9903 0.0000 0.0000 2721.4291 6246.0960 300.5894 3524.6669 6276.4870 302.2824 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: 2016.74, 0.00391592/step Wall: 2016.74, 0.00391592/step, 2.18051 hours remaining, 111.675781 MB of memory in use. ENERGY: 495400 666.9926 1872.9358 1949.4122 98.3081 2.1512 -1086.3644 0.0000 0.0000 2686.1306 6189.5662 296.6906 3503.4356 6226.6523 301.3040 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: 2017.52, 0.00392321/step Wall: 2017.52, 0.00392321/step, 2.18436 hours remaining, 111.675781 MB of memory in use. ENERGY: 495600 687.1069 1880.3947 1955.0055 114.0429 1.8543 -1115.4959 0.0000 0.0000 2746.0687 6268.9770 303.3109 3522.9083 6302.2856 300.9435 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: 2018.31, 0.00392243/step Wall: 2018.31, 0.00392243/step, 2.1837 hours remaining, 111.675781 MB of memory in use. ENERGY: 495800 675.4027 1826.6161 1938.4445 112.1958 2.0362 -1067.3527 0.0000 0.0000 2793.9824 6281.3249 308.6031 3487.3426 6314.9292 303.9227 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: 2019.09, 0.00392197/step Wall: 2019.09, 0.00392197/step, 2.18323 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: 496000 697.3435 1817.6102 1949.1999 119.7159 1.1886 -1058.9712 0.0000 0.0000 2733.2054 6259.2922 301.8901 3526.0869 6290.1508 303.5367 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: 2019.87, 0.00392202/step Wall: 2019.87, 0.00392202/step, 2.18304 hours remaining, 111.675781 MB of memory in use. ENERGY: 496200 674.5866 1875.8141 1951.1079 125.2700 2.4487 -1143.4815 0.0000 0.0000 2704.1803 6189.9262 298.6842 3485.7458 6222.9161 300.0567 LDB: ============= START OF LOAD BALANCING ============== 2022.57 LDB: ============== END OF LOAD BALANCING =============== 2022.57 LDB: =============== DONE WITH MIGRATION ================ 2022.57 LDB: ============= START OF LOAD BALANCING ============== 2022.97 LDB: ============== END OF LOAD BALANCING =============== 2022.97 LDB: =============== DONE WITH MIGRATION ================ 2022.97 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: 2020.66, 0.00392119/step Wall: 2020.66, 0.00392119/step, 2.18236 hours remaining, 111.675781 MB of memory in use. ENERGY: 496400 667.8598 1898.6009 1932.6135 105.7444 1.6517 -1113.5347 0.0000 0.0000 2723.8385 6216.7742 300.8556 3492.9357 6250.6239 300.6297 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: 2021.44, 0.00392004/step Wall: 2021.44, 0.00392004/step, 2.1815 hours remaining, 111.675781 MB of memory in use. ENERGY: 496600 630.6195 1890.6668 1967.6947 107.9286 0.8650 -1136.7648 0.0000 0.0000 2749.1772 6210.1870 303.6543 3461.0097 6243.6507 302.3446 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: 2022.23, 0.0039206/step Wall: 2022.23, 0.0039206/step, 2.1816 hours remaining, 111.675781 MB of memory in use. ENERGY: 496800 653.8336 1887.3344 1936.2886 93.0405 0.1917 -1102.2695 0.0000 0.0000 2760.6280 6229.0473 304.9191 3468.4193 6259.6061 301.5048 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: 2023.01, 0.00392231/step Wall: 2023.01, 0.00392231/step, 2.18233 hours remaining, 111.675781 MB of memory in use. ENERGY: 497000 703.6000 1857.7902 1920.2142 116.3575 1.1192 -1068.4318 0.0000 0.0000 2718.5927 6249.2421 300.2761 3530.6494 6284.2170 301.7529 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: 2023.79, 0.00391689/step Wall: 2023.79, 0.00391689/step, 2.1791 hours remaining, 111.675781 MB of memory in use. ENERGY: 497200 615.6468 1862.7000 1959.2867 110.5361 2.0734 -1093.2698 0.0000 0.0000 2758.4426 6215.4157 304.6777 3456.9731 6249.9010 300.3209 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: 2024.58, 0.00392083/step Wall: 2024.58, 0.00392083/step, 2.18107 hours remaining, 111.675781 MB of memory in use. ENERGY: 497400 618.1513 1832.8567 1931.5387 104.4138 1.0073 -1090.3533 0.0000 0.0000 2792.3118 6189.9262 308.4186 3397.6144 6226.4568 300.4570 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: 2025.36, 0.00392129/step Wall: 2025.36, 0.00392129/step, 2.18111 hours remaining, 111.675781 MB of memory in use. ENERGY: 497600 643.3917 1878.5283 1926.0536 110.5114 3.1637 -1066.3280 0.0000 0.0000 2720.4609 6215.7815 300.4825 3495.3206 6248.4032 300.2935 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: 2026.15, 0.00391902/step Wall: 2026.15, 0.00391901/step, 2.17963 hours remaining, 111.675781 MB of memory in use. ENERGY: 497800 640.1420 1842.5328 1922.3084 107.4054 3.2086 -1024.2946 0.0000 0.0000 2755.6623 6246.9649 304.3706 3491.3026 6277.7114 301.2020 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: 2026.93, 0.00392326/step Wall: 2026.93, 0.00392327/step, 2.18177 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: 498000 652.3149 1883.2920 1956.2285 92.9681 1.1744 -1085.7038 0.0000 0.0000 2737.8668 6238.1407 302.4050 3500.2739 6271.8527 300.7990 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: 2027.71, 0.00391508/step Wall: 2027.71, 0.00391507/step, 2.177 hours remaining, 111.675781 MB of memory in use. ENERGY: 498200 678.0419 1872.2134 1932.1862 108.3914 1.7153 -1097.3401 0.0000 0.0000 2687.3336 6182.5416 296.8235 3495.2080 6215.5097 300.3917 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: 2028.5, 0.00392456/step Wall: 2028.5, 0.00392457/step, 2.18206 hours remaining, 111.679688 MB of memory in use. ENERGY: 498400 659.7024 1829.9930 1942.3258 124.2552 1.7985 -1098.0767 0.0000 0.0000 2711.9113 6171.9096 299.5382 3459.9983 6207.0220 299.5742 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: 2029.28, 0.00392073/step Wall: 2029.28, 0.00392073/step, 2.17971 hours remaining, 111.679688 MB of memory in use. ENERGY: 498600 652.2100 1799.2856 1955.1290 109.6275 2.3229 -1071.4904 0.0000 0.0000 2691.9599 6139.0445 297.3345 3447.0846 6169.7695 297.0652 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: 2030.07, 0.0039219/step Wall: 2030.07, 0.0039219/step, 2.18014 hours remaining, 111.679688 MB of memory in use. ENERGY: 498800 641.4961 1840.7931 1966.8679 106.2116 1.1354 -1122.2428 0.0000 0.0000 2710.8280 6145.0893 299.4185 3434.2613 6177.3047 296.6034 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: 2030.85, 0.00392326/step Wall: 2030.85, 0.00392326/step, 2.18068 hours remaining, 111.679688 MB of memory in use. ENERGY: 499000 661.7684 1806.2316 1958.9238 101.7726 1.5501 -1126.4460 0.0000 0.0000 2744.9166 6148.7171 303.1837 3403.8005 6181.4440 296.7434 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: 2031.64, 0.00391467/step Wall: 2031.64, 0.00391467/step, 2.17569 hours remaining, 111.679688 MB of memory in use. ENERGY: 499200 647.5606 1868.8430 1946.9065 105.9325 0.0749 -1080.6662 0.0000 0.0000 2668.7990 6157.4503 294.7763 3488.6513 6190.6762 297.3767 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: 2032.42, 0.00392433/step Wall: 2032.42, 0.00392433/step, 2.18084 hours remaining, 111.679688 MB of memory in use. ENERGY: 499400 664.8987 1862.6080 1955.5901 110.3547 0.8992 -1114.4817 0.0000 0.0000 2671.5527 6151.4216 295.0804 3479.8690 6181.4665 296.2907 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: 2033.2, 0.0039223/step Wall: 2033.2, 0.0039223/step, 2.17949 hours remaining, 111.679688 MB of memory in use. ENERGY: 499600 645.5795 1858.5926 1931.2715 112.4206 0.5015 -1112.5803 0.0000 0.0000 2733.5300 6169.3153 301.9260 3435.7853 6206.5373 298.4486 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: 2033.99, 0.00392477/step Wall: 2033.99, 0.00392477/step, 2.18065 hours remaining, 111.679688 MB of memory in use. ENERGY: 499800 640.7369 1852.1652 1933.8845 105.7157 1.4340 -1073.2940 0.0000 0.0000 2698.1626 6158.8048 298.0196 3460.6422 6190.8182 298.5859 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: 2034.77, 0.00391781/step Wall: 2034.77, 0.00391781/step, 2.17656 hours remaining, 111.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 500000 647.5387 1828.7508 1956.6712 95.6151 1.7967 -1097.8995 0.0000 0.0000 2663.2700 6095.7429 294.1656 3432.4729 6126.6273 296.7067 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 500000 WRITING COORDINATES TO DCD FILE MD.1.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: 2035.59, 0.00410879/step Wall: 2035.59, 0.00410879/step, 2.28244 hours remaining, 111.679688 MB of memory in use. ENERGY: 500200 669.4631 1800.9384 1978.5347 105.7786 -0.3198 -1102.8887 0.0000 0.0000 2679.9204 6131.4266 296.0047 3451.5062 6163.4179 293.6919 LDB: ============= START OF LOAD BALANCING ============== 2038.3 LDB: ============== END OF LOAD BALANCING =============== 2038.3 LDB: =============== DONE WITH MIGRATION ================ 2038.3 LDB: ============= START OF LOAD BALANCING ============== 2038.69 LDB: ============== END OF LOAD BALANCING =============== 2038.69 LDB: =============== DONE WITH MIGRATION ================ 2038.69 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: 2036.38, 0.00392888/step Wall: 2036.38, 0.00392888/step, 2.18227 hours remaining, 111.679688 MB of memory in use. ENERGY: 500400 653.4127 1759.0084 1964.9881 105.4817 0.5699 -1111.0929 0.0000 0.0000 2723.6533 6096.0213 300.8351 3372.3680 6128.5580 293.2847 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: 2037.17, 0.00394145/step Wall: 2037.17, 0.00394145/step, 2.18904 hours remaining, 111.679688 MB of memory in use. ENERGY: 500600 615.9936 1785.2014 1962.4484 111.1422 0.9405 -1084.1899 0.0000 0.0000 2635.8063 6027.3425 291.1321 3391.5362 6061.1963 290.1043 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: 2037.95, 0.00391739/step Wall: 2037.95, 0.0039174/step, 2.17546 hours remaining, 111.679688 MB of memory in use. ENERGY: 500800 657.0202 1793.7191 1927.6285 103.6002 -0.2657 -1085.4033 0.0000 0.0000 2672.7093 6069.0082 295.2082 3396.2990 6101.0043 292.0346 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: 2038.74, 0.00392056/step Wall: 2038.74, 0.00392056/step, 2.177 hours remaining, 111.679688 MB of memory in use. ENERGY: 501000 651.8068 1867.2734 1938.5302 118.2608 1.2286 -1098.2719 0.0000 0.0000 2647.1935 6126.0213 292.3899 3478.8279 6156.9816 293.9101 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: 2039.52, 0.00392305/step Wall: 2039.52, 0.00392305/step, 2.17817 hours remaining, 111.679688 MB of memory in use. ENERGY: 501200 662.9955 1843.4754 1991.1282 107.2518 1.8521 -1070.7166 0.0000 0.0000 2661.4889 6197.4752 293.9689 3535.9863 6228.5988 295.5556 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: 2040.31, 0.00392188/step Wall: 2040.31, 0.00392188/step, 2.1773 hours remaining, 111.679688 MB of memory in use. ENERGY: 501400 627.6913 1875.5875 1941.6152 102.2733 0.1573 -1086.8005 0.0000 0.0000 2694.8531 6155.3772 297.6540 3460.5241 6187.7659 298.3595 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: 2041.09, 0.00392189/step Wall: 2041.09, 0.00392189/step, 2.17708 hours remaining, 111.679688 MB of memory in use. ENERGY: 501600 657.6912 1859.7676 1952.8467 110.6040 1.0362 -1108.5563 0.0000 0.0000 2648.1491 6121.5386 292.4954 3473.3895 6151.2528 294.5222 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: 2041.87, 0.00391621/step Wall: 2041.87, 0.00391621/step, 2.17372 hours remaining, 111.683594 MB of memory in use. ENERGY: 501800 671.9385 1849.4989 1943.5921 105.5511 1.2339 -1089.1166 0.0000 0.0000 2669.1073 6151.8052 294.8103 3482.6980 6184.4044 297.0873 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: 2042.66, 0.00392365/step Wall: 2042.66, 0.00392365/step, 2.17763 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 502000 672.5629 1835.7293 1971.9466 112.4640 1.1070 -1084.3862 0.0000 0.0000 2624.7870 6134.2106 289.9150 3509.4237 6166.2308 296.3336 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: 2043.44, 0.00392187/step Wall: 2043.44, 0.00392187/step, 2.17642 hours remaining, 111.683594 MB of memory in use. ENERGY: 502200 631.0432 1821.9814 1955.8644 115.2444 1.6379 -1107.0828 0.0000 0.0000 2671.0396 6089.7281 295.0238 3418.6885 6121.5017 293.7987 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: 2044.23, 0.00392284/step Wall: 2044.23, 0.00392284/step, 2.17674 hours remaining, 111.683594 MB of memory in use. ENERGY: 502400 629.6815 1819.7656 1988.9404 124.6426 0.4898 -1127.5548 0.0000 0.0000 2695.5757 6131.5409 297.7338 3435.9651 6165.0193 293.5765 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: 2045.01, 0.00392372/step Wall: 2045.01, 0.00392372/step, 2.17701 hours remaining, 111.683594 MB of memory in use. ENERGY: 502600 622.9657 1865.3452 1930.7984 102.2425 0.2700 -1092.3340 0.0000 0.0000 2714.8919 6144.1796 299.8674 3429.2878 6178.1003 297.4671 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: 2045.8, 0.00393082/step Wall: 2045.8, 0.00393082/step, 2.18073 hours remaining, 111.683594 MB of memory in use. ENERGY: 502800 661.4049 1846.7984 1968.5224 112.7442 1.2555 -1116.8013 0.0000 0.0000 2686.9313 6160.8554 296.7791 3473.9241 6194.3071 297.1954 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: 2046.58, 0.0039302/step Wall: 2046.58, 0.0039302/step, 2.18017 hours remaining, 111.683594 MB of memory in use. ENERGY: 503000 644.3450 1830.5738 1968.9625 114.0248 0.7492 -1086.7761 0.0000 0.0000 2672.8847 6144.7639 295.2276 3471.8793 6178.2394 297.4876 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: 2047.37, 0.00392379/step Wall: 2047.37, 0.00392379/step, 2.1764 hours remaining, 111.683594 MB of memory in use. ENERGY: 503200 638.5523 1845.3195 1930.6019 123.9902 -0.1336 -1058.9699 0.0000 0.0000 2651.7878 6131.1482 292.8974 3479.3604 6162.7523 295.8792 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: 2048.15, 0.00392066/step Wall: 2048.15, 0.00392066/step, 2.17444 hours remaining, 111.683594 MB of memory in use. ENERGY: 503400 657.0626 1831.6801 1963.1426 99.5183 -0.1563 -1083.9678 0.0000 0.0000 2653.0027 6120.2822 293.0315 3467.2795 6153.6186 294.5395 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: 2048.94, 0.00391634/step Wall: 2048.94, 0.00391634/step, 2.17183 hours remaining, 111.683594 MB of memory in use. ENERGY: 503600 640.4543 1808.8853 1959.1852 97.2672 0.9915 -1088.8506 0.0000 0.0000 2714.3978 6132.3307 299.8128 3417.9330 6167.9550 294.8784 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: 2049.72, 0.00392287/step Wall: 2049.72, 0.00392287/step, 2.17523 hours remaining, 111.683594 MB of memory in use. ENERGY: 503800 662.8114 1860.4514 1962.4193 100.0123 0.8865 -1117.0205 0.0000 0.0000 2666.9358 6136.4963 294.5705 3469.5605 6170.1116 296.3244 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: 2050.51, 0.003923/step Wall: 2050.51, 0.003923/step, 2.17509 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 504000 638.7177 1838.8497 1936.3064 108.1090 0.2347 -1110.4465 0.0000 0.0000 2720.2879 6132.0588 300.4634 3411.7709 6165.7931 295.9682 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: 2051.29, 0.00391943/step Wall: 2051.29, 0.00391943/step, 2.17289 hours remaining, 111.683594 MB of memory in use. ENERGY: 504200 641.8520 1808.2495 1939.2087 113.4006 0.6564 -1118.0843 0.0000 0.0000 2689.9314 6075.2144 297.1104 3385.2829 6110.7358 295.9067 LDB: ============= START OF LOAD BALANCING ============== 2053.99 LDB: ============== END OF LOAD BALANCING =============== 2053.99 LDB: =============== DONE WITH MIGRATION ================ 2053.99 LDB: ============= START OF LOAD BALANCING ============== 2054.38 LDB: ============== END OF LOAD BALANCING =============== 2054.38 LDB: =============== DONE WITH MIGRATION ================ 2054.38 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: 2052.07, 0.00392628/step Wall: 2052.07, 0.00392628/step, 2.17647 hours remaining, 111.683594 MB of memory in use. ENERGY: 504400 678.1790 1835.0578 1983.3973 100.6839 1.4580 -1128.8258 0.0000 0.0000 2670.5804 6140.5305 294.9730 3469.9502 6173.7228 296.7179 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: 2052.86, 0.00391665/step Wall: 2052.86, 0.00391665/step, 2.17091 hours remaining, 111.683594 MB of memory in use. ENERGY: 504600 670.4104 1907.3170 1961.4208 107.8913 0.7428 -1136.0952 0.0000 0.0000 2695.3399 6207.0270 297.7078 3511.6872 6241.1587 297.3475 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: 2053.64, 0.00392264/step Wall: 2053.64, 0.00392264/step, 2.17401 hours remaining, 111.683594 MB of memory in use. ENERGY: 504800 666.6828 1899.8098 1964.4285 119.8407 1.6969 -1127.9219 0.0000 0.0000 2713.9006 6238.4375 299.7579 3524.5369 6273.3440 299.3484 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: 2054.43, 0.00392313/step Wall: 2054.43, 0.00392313/step, 2.17407 hours remaining, 111.683594 MB of memory in use. ENERGY: 505000 648.9870 1851.9716 1969.8753 112.0128 1.5543 -1113.0742 0.0000 0.0000 2773.3648 6244.6916 306.3259 3471.3268 6281.9504 302.0736 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: 2055.21, 0.00392238/step Wall: 2055.21, 0.00392238/step, 2.17343 hours remaining, 111.683594 MB of memory in use. ENERGY: 505200 677.7623 1822.9464 1949.0067 104.4494 1.7958 -1081.8436 0.0000 0.0000 2723.7347 6197.8518 300.8441 3474.1171 6232.2228 299.7189 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: 2056, 0.00392233/step Wall: 2056, 0.00392233/step, 2.17319 hours remaining, 111.683594 MB of memory in use. ENERGY: 505400 655.3818 1833.3180 1955.2546 107.2224 1.5642 -1085.8179 0.0000 0.0000 2689.6204 6156.5436 297.0761 3466.9232 6190.3016 296.9680 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: 2056.78, 0.00391596/step Wall: 2056.78, 0.00391596/step, 2.16944 hours remaining, 111.683594 MB of memory in use. ENERGY: 505600 666.9484 1852.7109 1982.9801 110.0687 1.2267 -1086.4105 0.0000 0.0000 2618.6375 6146.1619 289.2358 3527.5244 6178.3972 296.8247 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: 2057.56, 0.00392258/step Wall: 2057.56, 0.00392258/step, 2.17289 hours remaining, 111.683594 MB of memory in use. ENERGY: 505800 633.4593 1887.9173 1959.3674 100.3344 2.0538 -1096.7496 0.0000 0.0000 2632.4724 6118.8552 290.7639 3486.3827 6151.7073 295.3658 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: 2058.35, 0.00392514/step Wall: 2058.35, 0.00392514/step, 2.17409 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 506000 648.8177 1861.0559 1947.7182 114.8036 2.0401 -1053.4325 0.0000 0.0000 2693.9352 6214.9382 297.5526 3521.0030 6247.0848 298.4262 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: 2059.13, 0.00392285/step Wall: 2059.13, 0.00392285/step, 2.17261 hours remaining, 111.683594 MB of memory in use. ENERGY: 506200 652.3908 1906.6900 1969.1933 109.8989 0.0092 -1087.9132 0.0000 0.0000 2653.5079 6203.7768 293.0873 3550.2689 6236.5437 298.5981 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: 2059.92, 0.00391428/step Wall: 2059.92, 0.00391428/step, 2.16764 hours remaining, 111.683594 MB of memory in use. ENERGY: 506400 675.1599 1847.9980 1950.7053 105.2761 0.1705 -1095.5690 0.0000 0.0000 2728.7565 6212.4974 301.3988 3483.7409 6248.3531 300.5741 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: 2060.7, 0.0039231/step Wall: 2060.7, 0.0039231/step, 2.17231 hours remaining, 111.683594 MB of memory in use. ENERGY: 506600 672.5658 1836.9405 1960.6735 105.8129 1.5136 -1079.5663 0.0000 0.0000 2690.1131 6188.0530 297.1305 3497.9400 6221.5982 299.4689 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: 2061.49, 0.00392256/step Wall: 2061.49, 0.00392256/step, 2.17179 hours remaining, 111.683594 MB of memory in use. ENERGY: 506800 676.0243 1877.8049 1939.9399 101.2801 1.6081 -1064.4409 0.0000 0.0000 2686.6972 6218.9137 296.7532 3532.2165 6249.6224 298.8626 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: 2062.27, 0.00392361/step Wall: 2062.27, 0.00392361/step, 2.17215 hours remaining, 111.683594 MB of memory in use. ENERGY: 507000 660.3541 1898.3461 1967.8844 99.9747 0.6610 -1117.8112 0.0000 0.0000 2716.3210 6225.7301 300.0252 3509.4091 6259.5046 299.9842 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: 2063.05, 0.00392498/step Wall: 2063.05, 0.00392498/step, 2.17269 hours remaining, 111.683594 MB of memory in use. ENERGY: 507200 668.8721 1878.4423 1966.7946 115.8145 0.5628 -1117.8544 0.0000 0.0000 2685.2704 6197.9023 296.5956 3512.6319 6231.8224 299.6994 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: 2063.84, 0.00391661/step Wall: 2063.84, 0.00391661/step, 2.16784 hours remaining, 111.683594 MB of memory in use. ENERGY: 507400 643.0282 1838.5821 1946.3955 111.1521 1.9411 -1078.2798 0.0000 0.0000 2717.9941 6180.8132 300.2100 3462.8191 6214.5174 299.8821 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: 2064.62, 0.00392524/step Wall: 2064.62, 0.00392524/step, 2.1724 hours remaining, 111.683594 MB of memory in use. ENERGY: 507600 662.9735 1846.4764 1960.3138 96.3095 0.5467 -1077.4848 0.0000 0.0000 2685.9047 6175.0398 296.6657 3489.1351 6207.8657 299.2963 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: 2065.41, 0.00392244/step Wall: 2065.41, 0.00392244/step, 2.17063 hours remaining, 111.683594 MB of memory in use. ENERGY: 507800 659.2900 1914.8317 1946.6051 102.4385 1.7549 -1167.9681 0.0000 0.0000 2671.9140 6128.8662 295.1203 3456.9522 6161.1149 296.8675 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: 2066.19, 0.00392142/step Wall: 2066.19, 0.00392142/step, 2.16985 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 508000 649.5883 1819.4204 1945.8764 96.8732 0.2427 -1072.4639 0.0000 0.0000 2662.9676 6102.5047 294.1322 3439.5371 6134.3968 295.7840 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: 2066.98, 0.00391699/step Wall: 2066.98, 0.00391699/step, 2.16719 hours remaining, 111.683594 MB of memory in use. ENERGY: 508200 626.6138 1831.6577 1949.9334 111.1447 2.4515 -1090.5495 0.0000 0.0000 2682.5798 6113.8314 296.2984 3431.2516 6149.5289 295.1787 LDB: ============= START OF LOAD BALANCING ============== 2069.68 LDB: ============== END OF LOAD BALANCING =============== 2069.68 LDB: =============== DONE WITH MIGRATION ================ 2069.68 LDB: ============= START OF LOAD BALANCING ============== 2070.07 LDB: ============== END OF LOAD BALANCING =============== 2070.07 LDB: =============== DONE WITH MIGRATION ================ 2070.07 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: 2067.76, 0.00392672/step Wall: 2067.76, 0.00392671/step, 2.17234 hours remaining, 111.683594 MB of memory in use. ENERGY: 508400 655.0648 1783.1806 1932.9956 109.5058 2.5208 -1026.6357 0.0000 0.0000 2681.3962 6138.0280 296.1677 3456.6319 6168.3577 295.3195 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: 2068.55, 0.00392658/step Wall: 2068.55, 0.00392659/step, 2.17206 hours remaining, 111.683594 MB of memory in use. ENERGY: 508600 682.9501 1793.0312 1964.4005 110.6490 0.4033 -1085.1785 0.0000 0.0000 2649.0360 6115.2916 292.5934 3466.2556 6148.6265 296.5552 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: 2069.33, 0.00392375/step Wall: 2069.33, 0.00392375/step, 2.17027 hours remaining, 111.683594 MB of memory in use. ENERGY: 508800 652.5630 1878.4193 1936.6114 107.0370 0.1766 -1090.3832 0.0000 0.0000 2689.9893 6174.4135 297.1168 3484.4242 6203.3080 296.1313 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: 2070.12, 0.00392341/step Wall: 2070.12, 0.00392341/step, 2.16986 hours remaining, 111.683594 MB of memory in use. ENERGY: 509000 662.5445 1787.1089 1942.3512 107.4062 1.1006 -1108.7587 0.0000 0.0000 2757.6798 6149.4325 304.5934 3391.7527 6184.0355 297.0499 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: 2070.9, 0.00391928/step Wall: 2070.9, 0.00391928/step, 2.16736 hours remaining, 111.683594 MB of memory in use. ENERGY: 509200 645.4463 1849.8638 1955.5402 115.8425 2.2899 -1094.8827 0.0000 0.0000 2704.3089 6178.4090 298.6985 3474.1001 6212.5265 297.4666 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: 2071.68, 0.00392532/step Wall: 2071.68, 0.00392532/step, 2.17048 hours remaining, 111.683594 MB of memory in use. ENERGY: 509400 642.9281 1920.7613 1917.5501 107.6953 1.1482 -1070.1369 0.0000 0.0000 2731.4287 6251.3749 301.6939 3519.9461 6283.0500 300.3568 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: 2072.47, 0.00392604/step Wall: 2072.47, 0.00392604/step, 2.17066 hours remaining, 111.683594 MB of memory in use. ENERGY: 509600 623.6565 1906.6221 1920.1537 113.9817 1.2681 -1060.2136 0.0000 0.0000 2698.1422 6203.6109 298.0173 3505.4686 6237.6727 301.4333 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: 2073.25, 0.00392282/step Wall: 2073.25, 0.00392282/step, 2.16867 hours remaining, 111.683594 MB of memory in use. ENERGY: 509800 653.5799 1842.9295 1943.9482 95.5776 1.1855 -1114.1860 0.0000 0.0000 2774.9834 6198.0182 306.5047 3423.0348 6230.9938 300.3643 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: 2074.04, 0.00392496/step Wall: 2074.04, 0.00392496/step, 2.16963 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 510000 648.7732 1859.4299 1959.9779 100.1298 0.6225 -1129.5264 0.0000 0.0000 2766.9823 6206.3891 305.6209 3439.4069 6242.4185 299.7327 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 510000 WRITING COORDINATES TO DCD FILE MD.1.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: 2074.92, 0.00438468/step Wall: 2074.92, 0.00438468/step, 2.42351 hours remaining, 111.683594 MB of memory in use. ENERGY: 510200 674.6120 1857.9693 1976.9341 110.2020 0.3284 -1123.7329 0.0000 0.0000 2684.6917 6181.0045 296.5317 3496.3129 6213.8337 300.9311 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: 2075.7, 0.00392431/step Wall: 2075.7, 0.00392431/step, 2.16883 hours remaining, 111.683594 MB of memory in use. ENERGY: 510400 638.6840 1887.6874 1947.3669 109.4999 0.0885 -1103.1805 0.0000 0.0000 2702.3523 6182.4986 298.4823 3480.1463 6216.6562 297.8698 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: 2076.49, 0.00392483/step Wall: 2076.49, 0.00392483/step, 2.1689 hours remaining, 111.683594 MB of memory in use. ENERGY: 510600 639.6734 1855.1582 1970.3565 104.5377 0.0840 -1111.9201 0.0000 0.0000 2721.8558 6179.7456 300.6366 3457.8897 6214.3590 299.2693 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: 2077.27, 0.00392394/step Wall: 2077.27, 0.00392394/step, 2.1682 hours remaining, 111.683594 MB of memory in use. ENERGY: 510800 646.6093 1928.5662 1958.7569 106.1922 1.1738 -1051.2483 0.0000 0.0000 2621.6102 6211.6603 289.5642 3590.0501 6239.5974 300.3368 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: 2078.05, 0.00391711/step Wall: 2078.05, 0.00391711/step, 2.1642 hours remaining, 111.683594 MB of memory in use. ENERGY: 511000 699.2081 1841.8646 1968.1286 110.4578 0.3505 -1133.7503 0.0000 0.0000 2742.7297 6228.9890 302.9421 3486.2593 6264.8731 299.9206 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: 2078.84, 0.00393149/step Wall: 2078.84, 0.00393149/step, 2.17193 hours remaining, 111.683594 MB of memory in use. ENERGY: 511200 652.0213 1858.1091 1969.1528 112.0705 1.4279 -1123.3187 0.0000 0.0000 2798.4740 6267.9369 309.0993 3469.4628 6305.2117 303.4809 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: 2079.62, 0.00392123/step Wall: 2079.62, 0.00392123/step, 2.16604 hours remaining, 111.683594 MB of memory in use. ENERGY: 511400 679.0050 1814.5143 1962.1099 104.7501 0.7946 -1061.3938 0.0000 0.0000 2806.1073 6305.8874 309.9424 3499.7801 6343.0648 304.1986 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: 2080.41, 0.00392198/step Wall: 2080.41, 0.00392198/step, 2.16624 hours remaining, 111.683594 MB of memory in use. ENERGY: 511600 691.4798 1879.7465 1961.5393 108.5755 0.7819 -1095.9268 0.0000 0.0000 2736.1317 6282.3280 302.2134 3546.1963 6313.1357 304.0965 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: 2081.19, 0.00391476/step Wall: 2081.19, 0.00391476/step, 2.16203 hours remaining, 111.683594 MB of memory in use. ENERGY: 511800 687.2041 1907.0054 1934.5300 100.1549 1.9477 -1091.7597 0.0000 0.0000 2753.4045 6292.4869 304.1212 3539.0824 6323.9512 304.6045 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: 2081.98, 0.00392115/step Wall: 2081.98, 0.00392115/step, 2.16535 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 512000 640.8701 1796.6659 1963.5752 116.5449 1.6071 -1065.4122 0.0000 0.0000 2766.3537 6220.2047 305.5515 3453.8510 6254.0431 302.0359 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: 2082.76, 0.00392169/step Wall: 2082.76, 0.00392169/step, 2.16542 hours remaining, 111.683594 MB of memory in use. ENERGY: 512200 646.0768 1830.4141 1947.6911 117.4984 0.8241 -1105.6064 0.0000 0.0000 2743.0797 6179.9777 302.9808 3436.8981 6214.3914 301.2585 LDB: ============= START OF LOAD BALANCING ============== 2085.46 LDB: ============== END OF LOAD BALANCING =============== 2085.46 LDB: =============== DONE WITH MIGRATION ================ 2085.46 LDB: ============= START OF LOAD BALANCING ============== 2085.85 LDB: ============== END OF LOAD BALANCING =============== 2085.85 LDB: =============== DONE WITH MIGRATION ================ 2085.85 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: 2083.55, 0.00392558/step Wall: 2083.55, 0.00392558/step, 2.16735 hours remaining, 111.683594 MB of memory in use. ENERGY: 512400 673.3109 1842.5554 1960.5910 105.3624 1.4583 -1090.6751 0.0000 0.0000 2689.1510 6181.7540 297.0242 3492.6030 6214.9738 299.9351 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: 2084.33, 0.00392195/step Wall: 2084.33, 0.00392195/step, 2.16514 hours remaining, 111.683594 MB of memory in use. ENERGY: 512600 648.7667 1860.7281 1959.3903 101.1790 1.8725 -1082.7234 0.0000 0.0000 2715.9478 6205.1610 299.9840 3489.2131 6238.2318 301.3326 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: 2085.11, 0.00391697/step Wall: 2085.11, 0.00391697/step, 2.16217 hours remaining, 111.683594 MB of memory in use. ENERGY: 512800 691.3927 1803.9890 1938.9905 112.9195 0.4488 -1095.5298 0.0000 0.0000 2724.7039 6176.9147 300.9511 3452.2108 6209.4047 300.2288 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: 2085.9, 0.00392247/step Wall: 2085.9, 0.00392246/step, 2.16498 hours remaining, 111.683594 MB of memory in use. ENERGY: 513000 638.3552 1842.2169 1957.0377 118.3307 1.0203 -1069.0030 0.0000 0.0000 2703.8128 6191.7706 298.6437 3487.9578 6223.3941 300.8109 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: 2086.68, 0.00392283/step Wall: 2086.68, 0.00392283/step, 2.16497 hours remaining, 111.683594 MB of memory in use. ENERGY: 513200 629.4051 1832.6259 1961.8578 106.9796 -0.5313 -1102.0431 0.0000 0.0000 2793.6056 6221.8996 308.5615 3428.2940 6257.5113 301.5031 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: 2087.47, 0.00392174/step Wall: 2087.47, 0.00392174/step, 2.16415 hours remaining, 111.683594 MB of memory in use. ENERGY: 513400 684.2957 1846.0441 1931.1046 114.3503 -0.8743 -1075.7198 0.0000 0.0000 2717.9305 6217.1312 300.2030 3499.2007 6250.3484 300.0278 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: 2088.25, 0.00391525/step Wall: 2088.25, 0.00391525/step, 2.16035 hours remaining, 111.683594 MB of memory in use. ENERGY: 513600 608.1755 1885.9049 1950.3252 99.5922 0.2174 -1076.9502 0.0000 0.0000 2680.4235 6147.6885 296.0602 3467.2650 6179.3795 299.0223 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: 2089.03, 0.00392462/step Wall: 2089.03, 0.00392462/step, 2.1653 hours remaining, 111.683594 MB of memory in use. ENERGY: 513800 587.8032 1873.8012 1971.0313 117.3025 2.2367 -1091.5871 0.0000 0.0000 2670.4483 6131.0361 294.9585 3460.5878 6163.3079 295.5264 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: 2089.82, 0.00392092/step Wall: 2089.82, 0.00392092/step, 2.16304 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 514000 644.4346 1858.9344 1958.0058 104.3822 1.9217 -1121.5767 0.0000 0.0000 2690.1742 6136.2762 297.1372 3446.1019 6167.1653 297.6918 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: 2090.6, 0.00392253/step Wall: 2090.6, 0.00392253/step, 2.16371 hours remaining, 111.683594 MB of memory in use. ENERGY: 514200 675.4908 1847.0153 1965.3798 100.2066 1.2446 -1123.3574 0.0000 0.0000 2709.2838 6175.2635 299.2479 3465.9796 6205.9131 296.8783 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: 2091.39, 0.00392288/step Wall: 2091.39, 0.00392288/step, 2.16369 hours remaining, 111.683594 MB of memory in use. ENERGY: 514400 637.8952 1851.7071 1948.1518 101.8213 0.8418 -1085.2293 0.0000 0.0000 2776.8814 6232.0692 306.7143 3455.1878 6266.6404 300.0068 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: 2092.17, 0.00391708/step Wall: 2092.17, 0.00391708/step, 2.16027 hours remaining, 111.683594 MB of memory in use. ENERGY: 514600 635.3597 1801.7866 1940.0561 101.1980 1.2156 -1080.7331 0.0000 0.0000 2712.7299 6111.6128 299.6286 3398.8829 6145.5841 297.5718 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: 2092.96, 0.0039226/step Wall: 2092.96, 0.0039226/step, 2.1631 hours remaining, 111.683594 MB of memory in use. ENERGY: 514800 659.0473 1897.9788 1932.8108 107.2677 1.8185 -1110.8776 0.0000 0.0000 2632.6770 6120.7224 290.7865 3488.0455 6153.9255 296.4975 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: 2093.74, 0.00392238/step Wall: 2093.74, 0.00392238/step, 2.16276 hours remaining, 111.683594 MB of memory in use. ENERGY: 515000 658.9291 1858.9202 1953.9316 101.7377 1.8869 -1094.3706 0.0000 0.0000 2675.3242 6156.3591 295.4970 3481.0349 6186.6910 297.1877 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: 2094.53, 0.0039236/step Wall: 2094.53, 0.0039236/step, 2.16321 hours remaining, 111.683594 MB of memory in use. ENERGY: 515200 618.4199 1885.1020 1939.4647 106.1916 0.4774 -1085.1553 0.0000 0.0000 2665.4897 6129.9901 294.4108 3464.5004 6164.7350 298.1472 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: 2095.31, 0.00392445/step Wall: 2095.31, 0.00392445/step, 2.16346 hours remaining, 111.683594 MB of memory in use. ENERGY: 515400 644.0730 1871.1411 1937.6079 106.7963 0.4160 -1095.8358 0.0000 0.0000 2629.1053 6093.3037 290.3920 3464.1984 6125.5172 295.5840 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: 2096.09, 0.00391651/step Wall: 2096.09, 0.00391651/step, 2.15887 hours remaining, 111.683594 MB of memory in use. ENERGY: 515600 644.8488 1831.5691 1938.7697 106.8002 0.0051 -1064.6104 0.0000 0.0000 2677.9486 6135.3311 295.7869 3457.3825 6166.8619 295.7617 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: 2096.88, 0.00392473/step Wall: 2096.88, 0.00392473/step, 2.16318 hours remaining, 111.683594 MB of memory in use. ENERGY: 515800 654.6552 1850.9305 1949.8378 101.8371 1.1435 -1092.2704 0.0000 0.0000 2638.8944 6105.0281 291.4732 3466.1337 6135.1986 295.8473 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: 2097.66, 0.00392283/step Wall: 2097.66, 0.00392283/step, 2.16191 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 516000 669.1282 1844.3788 1939.3653 106.0320 0.2474 -1146.5562 0.0000 0.0000 2635.4962 6048.0917 291.0979 3412.5955 6079.5214 293.3235 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: 2098.45, 0.00392605/step Wall: 2098.45, 0.00392605/step, 2.16347 hours remaining, 111.683594 MB of memory in use. ENERGY: 516200 648.2526 1828.4739 1941.4738 98.0625 1.2355 -1103.0969 0.0000 0.0000 2643.9212 6058.3226 292.0285 3414.4015 6090.7662 291.6546 LDB: ============= START OF LOAD BALANCING ============== 2101.15 LDB: ============== END OF LOAD BALANCING =============== 2101.15 LDB: =============== DONE WITH MIGRATION ================ 2101.15 LDB: ============= START OF LOAD BALANCING ============== 2101.54 LDB: ============== END OF LOAD BALANCING =============== 2101.54 LDB: =============== DONE WITH MIGRATION ================ 2101.54 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: 2099.23, 0.00392141/step Wall: 2099.23, 0.00392141/step, 2.16069 hours remaining, 111.683594 MB of memory in use. ENERGY: 516400 654.8506 1850.0459 1952.9071 105.9085 1.0252 -1086.2027 0.0000 0.0000 2608.6842 6087.2189 288.1364 3478.5346 6117.9176 292.8162 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: 2100.02, 0.00392349/step Wall: 2100.02, 0.00392349/step, 2.16163 hours remaining, 111.683594 MB of memory in use. ENERGY: 516600 595.1847 1850.7975 1965.3700 107.6855 1.9335 -1083.2980 0.0000 0.0000 2669.3671 6107.0402 294.8390 3437.6731 6138.0915 294.7465 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: 2100.8, 0.00392867/step Wall: 2100.8, 0.00392867/step, 2.16426 hours remaining, 111.683594 MB of memory in use. ENERGY: 516800 673.8461 1852.3480 1965.9625 114.0715 2.0571 -1125.3140 0.0000 0.0000 2658.6522 6141.6234 293.6555 3482.9712 6173.5344 296.9302 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: 2101.59, 0.0039378/step Wall: 2101.59, 0.0039378/step, 2.16907 hours remaining, 111.683594 MB of memory in use. ENERGY: 517000 703.0760 1860.3055 1963.1475 96.3686 1.5677 -1089.9548 0.0000 0.0000 2638.7994 6173.3100 291.4627 3534.5106 6202.7748 298.0190 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: 2102.38, 0.00392752/step Wall: 2102.38, 0.00392752/step, 2.16319 hours remaining, 111.683594 MB of memory in use. ENERGY: 517200 656.0163 1853.1619 1971.1801 102.1848 1.5199 -1137.4711 0.0000 0.0000 2718.2883 6164.8802 300.2425 3446.5919 6197.3789 298.6250 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: 2103.16, 0.00391904/step Wall: 2103.16, 0.00391904/step, 2.1583 hours remaining, 111.683594 MB of memory in use. ENERGY: 517400 655.3929 1839.2645 1928.1944 102.5201 2.1112 -1094.7699 0.0000 0.0000 2672.0071 6104.7204 295.1306 3432.7132 6136.4600 297.5252 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: 2103.94, 0.00392331/step Wall: 2103.94, 0.00392331/step, 2.16044 hours remaining, 111.683594 MB of memory in use. ENERGY: 517600 675.8002 1820.4317 1938.5243 117.0685 1.2191 -1114.8383 0.0000 0.0000 2721.5473 6159.7528 300.6025 3438.2055 6193.9121 297.3939 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: 2104.73, 0.00392349/step Wall: 2104.73, 0.00392349/step, 2.16032 hours remaining, 111.683594 MB of memory in use. ENERGY: 517800 671.7149 1855.9789 1941.6712 105.1175 1.7089 -1119.3564 0.0000 0.0000 2696.4422 6153.2772 297.8296 3456.8349 6186.5384 298.9759 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: 2105.52, 0.00393241/step Wall: 2105.52, 0.00393241/step, 2.16501 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 518000 685.5009 1832.7431 1931.5231 102.5872 1.9203 -1083.2043 0.0000 0.0000 2755.2583 6226.3285 304.3259 3471.0703 6261.5604 299.7676 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: 2106.3, 0.00391705/step Wall: 2106.3, 0.00391704/step, 2.15633 hours remaining, 111.683594 MB of memory in use. ENERGY: 518200 700.5678 1842.7330 1945.7056 110.9746 1.3716 -1100.7087 0.0000 0.0000 2709.7520 6210.3960 299.2997 3500.6440 6242.2578 300.9255 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: 2107.08, 0.0039242/step Wall: 2107.08, 0.00392421/step, 2.16006 hours remaining, 111.683594 MB of memory in use. ENERGY: 518400 678.1640 1883.7936 1965.5526 121.0672 0.3395 -1127.4113 0.0000 0.0000 2702.4042 6223.9098 298.4881 3521.5056 6257.9312 301.0611 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: 2107.87, 0.0039229/step Wall: 2107.87, 0.0039229/step, 2.15912 hours remaining, 111.683594 MB of memory in use. ENERGY: 518600 664.0635 1852.9254 1959.9997 114.8309 1.1527 -1088.5700 0.0000 0.0000 2650.4452 6154.8474 292.7491 3504.4022 6185.9759 297.9619 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: 2108.65, 0.00392581/step Wall: 2108.65, 0.00392581/step, 2.1605 hours remaining, 111.683594 MB of memory in use. ENERGY: 518800 649.7856 1882.7260 1936.6953 106.8115 1.5833 -1108.6904 0.0000 0.0000 2708.4635 6177.3748 299.1573 3468.9113 6210.6220 298.4741 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: 2109.44, 0.00392217/step Wall: 2109.44, 0.00392217/step, 2.15828 hours remaining, 111.683594 MB of memory in use. ENERGY: 519000 670.5552 1794.2903 1957.6717 110.2834 2.2574 -1118.1538 0.0000 0.0000 2729.4998 6146.4040 301.4809 3416.9043 6179.1598 298.2212 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: 2110.22, 0.00391613/step Wall: 2110.22, 0.00391613/step, 2.15474 hours remaining, 111.683594 MB of memory in use. ENERGY: 519200 649.9184 1930.8804 1952.5481 107.6059 1.6516 -1111.5736 0.0000 0.0000 2653.0802 6184.1109 293.0401 3531.0307 6214.7449 298.4678 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: 2111.01, 0.00392356/step Wall: 2111.01, 0.00392356/step, 2.15861 hours remaining, 111.683594 MB of memory in use. ENERGY: 519400 659.8092 1846.5523 1963.6325 111.3385 0.7203 -1111.4911 0.0000 0.0000 2722.6197 6193.1813 300.7209 3470.5616 6229.2493 299.8083 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: 2111.79, 0.00392313/step Wall: 2111.79, 0.00392313/step, 2.15815 hours remaining, 111.683594 MB of memory in use. ENERGY: 519600 672.7923 1812.5480 1966.6367 100.2669 1.2241 -1121.1057 0.0000 0.0000 2750.7211 6183.0834 303.8248 3432.3624 6217.1970 299.1495 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: 2112.58, 0.0039255/step Wall: 2112.58, 0.0039255/step, 2.15924 hours remaining, 111.683594 MB of memory in use. ENERGY: 519800 624.0325 1888.9205 1951.2222 120.5167 0.3010 -1067.4794 0.0000 0.0000 2627.1789 6144.6924 290.1792 3517.5135 6176.1093 298.7307 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: 2113.36, 0.00392305/step Wall: 2113.36, 0.00392305/step, 2.15767 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 520000 648.3116 1873.0966 1942.0478 89.7425 1.8847 -1093.7235 0.0000 0.0000 2671.5582 6132.9179 295.0810 3461.3598 6167.1021 295.9854 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 520000 WRITING COORDINATES TO DCD FILE MD.1.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: 2114.19, 0.00416581/step Wall: 2114.19, 0.0041658/step, 2.29096 hours remaining, 111.683594 MB of memory in use. ENERGY: 520200 650.6734 1839.7804 1945.6198 102.1418 2.0595 -1111.3582 0.0000 0.0000 2696.1166 6125.0335 297.7936 3428.9168 6159.1383 294.7251 LDB: ============= START OF LOAD BALANCING ============== 2116.9 LDB: ============== END OF LOAD BALANCING =============== 2116.9 LDB: =============== DONE WITH MIGRATION ================ 2116.9 LDB: ============= START OF LOAD BALANCING ============== 2117.29 LDB: ============== END OF LOAD BALANCING =============== 2117.29 LDB: =============== DONE WITH MIGRATION ================ 2117.29 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: 2114.98, 0.00393048/step Wall: 2114.98, 0.00393049/step, 2.16133 hours remaining, 111.683594 MB of memory in use. ENERGY: 520400 668.6122 1864.3102 1951.0948 105.3517 1.1583 -1085.6257 0.0000 0.0000 2680.3696 6185.2711 296.0543 3504.9015 6218.5800 296.5715 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: 2115.76, 0.00392334/step Wall: 2115.76, 0.00392334/step, 2.15718 hours remaining, 111.683594 MB of memory in use. ENERGY: 520600 643.8412 1871.8906 1962.3386 119.4021 0.6556 -1089.3052 0.0000 0.0000 2628.1920 6137.0149 290.2911 3508.8229 6168.9538 297.1526 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: 2116.55, 0.00393589/step Wall: 2116.55, 0.00393589/step, 2.16386 hours remaining, 111.683594 MB of memory in use. ENERGY: 520800 625.9948 1886.0607 1952.1824 110.1758 2.1872 -1068.8572 0.0000 0.0000 2667.7319 6175.4755 294.6584 3507.7436 6205.8810 297.4420 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: 2117.33, 0.00391722/step Wall: 2117.33, 0.00391721/step, 2.15338 hours remaining, 111.683594 MB of memory in use. ENERGY: 521000 662.0267 1846.6973 1945.7293 107.1925 2.5989 -1121.4997 0.0000 0.0000 2655.4516 6098.1965 293.3020 3442.7449 6129.8878 295.7218 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: 2118.12, 0.00392207/step Wall: 2118.12, 0.00392207/step, 2.15583 hours remaining, 111.683594 MB of memory in use. ENERGY: 521200 658.3594 1818.6729 1954.6392 102.2623 -0.1395 -1132.0812 0.0000 0.0000 2716.6383 6118.3515 300.0603 3401.7132 6151.6186 296.0785 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: 2118.9, 0.00392425/step Wall: 2118.9, 0.00392425/step, 2.15681 hours remaining, 111.683594 MB of memory in use. ENERGY: 521400 639.8073 1871.3950 1988.4745 112.0402 3.0724 -1137.3211 0.0000 0.0000 2674.8170 6152.2853 295.4410 3477.4683 6182.0555 296.7458 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: 2119.69, 0.0039223/step Wall: 2119.69, 0.0039223/step, 2.15552 hours remaining, 111.683594 MB of memory in use. ENERGY: 521600 653.7026 1856.5141 1981.4119 98.4180 1.6314 -1112.0331 0.0000 0.0000 2696.8793 6176.5243 297.8778 3479.6450 6211.2106 298.2698 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: 2120.47, 0.00392376/step Wall: 2120.47, 0.00392375/step, 2.1561 hours remaining, 111.683594 MB of memory in use. ENERGY: 521800 661.4065 1862.2401 1953.2273 105.8207 0.4494 -1070.5052 0.0000 0.0000 2703.5599 6216.1987 298.6157 3512.6388 6247.4123 300.7123 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: 2121.26, 0.00391677/step Wall: 2121.26, 0.00391677/step, 2.15205 hours remaining, 111.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 522000 614.1080 1911.6146 1946.9130 106.6758 1.9998 -1059.9392 0.0000 0.0000 2740.8906 6262.2626 302.7390 3521.3721 6297.0286 302.3793 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: 2122.04, 0.00392411/step Wall: 2122.04, 0.00392411/step, 2.15586 hours remaining, 111.683594 MB of memory in use. ENERGY: 522200 618.7435 1879.4499 1977.2085 97.5044 1.0497 -1118.4179 0.0000 0.0000 2744.3649 6199.9030 303.1228 3455.5380 6234.4755 301.3092 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: 2122.83, 0.00392466/step Wall: 2122.83, 0.00392466/step, 2.15595 hours remaining, 111.683594 MB of memory in use. ENERGY: 522400 645.8191 1884.4340 1958.3334 109.8743 0.9477 -1115.9936 0.0000 0.0000 2724.3649 6207.7797 300.9137 3483.4148 6242.1571 300.1300 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: 2123.61, 0.00392221/step Wall: 2123.61, 0.00392221/step, 2.15438 hours remaining, 111.683594 MB of memory in use. ENERGY: 522600 657.3784 1844.8628 1962.1588 104.9773 -0.3009 -1069.8199 0.0000 0.0000 2729.8088 6229.0654 301.5150 3499.2565 6263.9399 300.4722 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: 2124.4, 0.00392457/step Wall: 2124.4, 0.00392457/step, 2.15546 hours remaining, 111.683594 MB of memory in use. ENERGY: 522800 702.0082 1944.5245 1960.8206 106.9436 1.4711 -1096.6110 0.0000 0.0000 2667.1154 6286.2725 294.5903 3619.1570 6318.6423 302.9590 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: 2125.18, 0.00391622/step Wall: 2125.18, 0.00391622/step, 2.15066 hours remaining, 111.683594 MB of memory in use. ENERGY: 523000 666.0013 1851.1522 1945.3549 104.8627 1.2323 -1060.9663 0.0000 0.0000 2739.1000 6246.7372 302.5412 3507.6372 6283.2997 302.7120 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: 2125.96, 0.00392386/step Wall: 2125.96, 0.00392386/step, 2.15463 hours remaining, 111.683594 MB of memory in use. ENERGY: 523200 645.9607 1900.4951 1977.8559 104.7370 1.5534 -1105.1686 0.0000 0.0000 2737.2631 6262.6965 302.3383 3525.4334 6296.1373 301.3727 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: 2126.75, 0.00392479/step Wall: 2126.75, 0.00392479/step, 2.15493 hours remaining, 111.683594 MB of memory in use. ENERGY: 523400 627.3275 1869.4078 1955.8382 114.9922 1.8888 -1079.9378 0.0000 0.0000 2755.7581 6245.2749 304.3812 3489.5168 6280.7502 303.0189 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: 2127.53, 0.00392419/step Wall: 2127.53, 0.00392419/step, 2.15438 hours remaining, 111.687500 MB of memory in use. ENERGY: 523600 672.5493 1840.0406 1946.0665 100.5188 1.4116 -1093.1682 0.0000 0.0000 2775.5461 6242.9646 306.5668 3467.4185 6277.7293 303.1236 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: 2128.32, 0.00391703/step Wall: 2128.32, 0.00391703/step, 2.15023 hours remaining, 111.687500 MB of memory in use. ENERGY: 523800 655.8774 1851.8962 1953.0542 106.1264 1.1710 -1107.6856 0.0000 0.0000 2766.4730 6226.9126 305.5647 3460.4396 6260.0473 301.8174 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: 2129.1, 0.00392395/step Wall: 2129.1, 0.00392395/step, 2.15382 hours remaining, 111.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 524000 633.8634 1846.6995 1986.0614 96.7519 1.9839 -1097.9735 0.0000 0.0000 2715.1335 6182.5199 299.8941 3467.3864 6217.1868 299.5792 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: 2129.89, 0.0039226/step Wall: 2129.89, 0.0039226/step, 2.15285 hours remaining, 111.687500 MB of memory in use. ENERGY: 524200 660.4957 1832.8212 1987.8381 111.8937 2.0685 -1093.7607 0.0000 0.0000 2696.9909 6198.3474 297.8902 3501.3565 6231.2964 298.8353 LDB: ============= START OF LOAD BALANCING ============== 2132.59 LDB: ============== END OF LOAD BALANCING =============== 2132.59 LDB: =============== DONE WITH MIGRATION ================ 2132.59 LDB: ============= START OF LOAD BALANCING ============== 2132.98 LDB: ============== END OF LOAD BALANCING =============== 2132.98 LDB: =============== DONE WITH MIGRATION ================ 2132.98 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: 2130.67, 0.00392785/step Wall: 2130.67, 0.00392785/step, 2.15552 hours remaining, 111.687500 MB of memory in use. ENERGY: 524400 616.0510 1794.6211 1937.0595 100.6695 1.7086 -1102.0369 0.0000 0.0000 2794.1486 6142.2214 308.6215 3348.0728 6178.9553 299.1873 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: 2131.46, 0.00392287/step Wall: 2131.46, 0.00392287/step, 2.15256 hours remaining, 111.687500 MB of memory in use. ENERGY: 524600 634.7823 1862.0938 1982.7724 103.8681 1.7843 -1109.1800 0.0000 0.0000 2678.9759 6155.0968 295.9004 3476.1209 6189.5868 296.1531 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: 2132.24, 0.00391672/step Wall: 2132.24, 0.00391672/step, 2.14897 hours remaining, 111.687500 MB of memory in use. ENERGY: 524800 668.2584 1827.3507 1971.2010 99.3398 1.5291 -1085.2102 0.0000 0.0000 2665.2898 6147.7585 294.3887 3482.4687 6180.7705 297.0689 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: 2133.02, 0.0039236/step Wall: 2133.02, 0.0039236/step, 2.15253 hours remaining, 111.687500 MB of memory in use. ENERGY: 525000 659.8145 1865.3069 1956.1894 101.8797 1.4380 -1121.1135 0.0000 0.0000 2682.9566 6146.4717 296.3400 3463.5150 6177.5851 296.8496 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: 2133.81, 0.00392333/step Wall: 2133.81, 0.00392332/step, 2.15216 hours remaining, 111.687500 MB of memory in use. ENERGY: 525200 619.4016 1812.2916 1977.8261 101.8231 1.7410 -1114.5198 0.0000 0.0000 2721.1257 6119.6895 300.5559 3398.5637 6153.4819 296.5837 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: 2134.59, 0.00392352/step Wall: 2134.59, 0.00392352/step, 2.15205 hours remaining, 111.687500 MB of memory in use. ENERGY: 525400 647.2994 1826.1401 1950.8231 116.7094 2.0078 -1103.8961 0.0000 0.0000 2698.9216 6138.0053 298.1034 3439.0837 6170.7328 295.9156 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: 2135.38, 0.00391626/step Wall: 2135.38, 0.00391626/step, 2.14785 hours remaining, 111.687500 MB of memory in use. ENERGY: 525600 607.4512 1867.3663 1973.2384 118.9772 1.2981 -1112.8588 0.0000 0.0000 2725.1279 6180.6004 300.9980 3455.4725 6210.4771 297.4211 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: 2136.16, 0.00392247/step Wall: 2136.16, 0.00392247/step, 2.15104 hours remaining, 111.687500 MB of memory in use. ENERGY: 525800 609.6519 1892.1016 1949.5285 123.0187 0.9443 -1083.5549 0.0000 0.0000 2719.8291 6211.5192 300.4127 3491.6902 6245.2836 298.8655 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: 2136.95, 0.00392439/step Wall: 2136.95, 0.00392439/step, 2.15187 hours remaining, 111.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 526000 627.8933 1862.0651 1950.9977 112.1555 0.3104 -1103.0845 0.0000 0.0000 2719.4938 6169.8313 300.3757 3450.3375 6204.5134 298.8904 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: 2137.73, 0.00392447/step Wall: 2137.73, 0.00392447/step, 2.1517 hours remaining, 111.687500 MB of memory in use. ENERGY: 526200 635.0936 1846.3103 1962.4591 113.9200 0.2785 -1115.6362 0.0000 0.0000 2740.7474 6183.1727 302.7232 3442.4253 6219.6539 299.4008 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: 2138.52, 0.00392537/step Wall: 2138.52, 0.00392537/step, 2.15197 hours remaining, 111.687500 MB of memory in use. ENERGY: 526400 682.8893 1826.9725 1942.8913 96.9064 2.2379 -1155.3805 0.0000 0.0000 2791.1088 6187.6256 308.2857 3396.5168 6224.8877 300.2421 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: 2139.3, 0.00391603/step Wall: 2139.3, 0.00391603/step, 2.14663 hours remaining, 111.687500 MB of memory in use. ENERGY: 526600 653.8127 1870.6407 1938.8483 97.5620 2.4731 -1088.8325 0.0000 0.0000 2694.3012 6168.8056 297.5931 3474.5043 6202.5216 300.6442 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: 2140.08, 0.00392318/step Wall: 2140.08, 0.00392318/step, 2.15034 hours remaining, 111.691406 MB of memory in use. ENERGY: 526800 689.3495 1807.1699 1953.5135 117.6566 1.0163 -1122.9335 0.0000 0.0000 2726.5250 6172.2974 301.1523 3445.7724 6206.8164 298.3698 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: 2140.87, 0.00392419/step Wall: 2140.87, 0.00392419/step, 2.15067 hours remaining, 111.691406 MB of memory in use. ENERGY: 527000 670.0979 1865.5565 1957.5739 109.1207 1.3544 -1107.3891 0.0000 0.0000 2664.4969 6160.8112 294.3011 3496.3142 6193.0600 298.3947 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: 2141.65, 0.00392358/step Wall: 2141.65, 0.00392358/step, 2.15012 hours remaining, 111.691406 MB of memory in use. ENERGY: 527200 643.6000 1811.2222 1938.2860 103.4031 1.6532 -1071.9177 0.0000 0.0000 2716.2075 6142.4543 300.0127 3426.2468 6177.9979 296.8106 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: 2142.44, 0.00392578/step Wall: 2142.44, 0.00392578/step, 2.15111 hours remaining, 111.691406 MB of memory in use. ENERGY: 527400 654.0965 1876.6594 1948.1170 103.0589 -0.1670 -1121.5161 0.0000 0.0000 2638.8602 6099.1090 291.4695 3460.2488 6131.2577 295.8347 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: 2143.22, 0.00391685/step Wall: 2143.22, 0.00391685/step, 2.146 hours remaining, 111.691406 MB of memory in use. ENERGY: 527600 695.1187 1833.3437 1967.3098 100.5688 0.0395 -1108.9564 0.0000 0.0000 2689.6308 6177.0548 297.0772 3487.4241 6212.2514 294.3262 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: 2144.01, 0.00392437/step Wall: 2144.01, 0.00392437/step, 2.1499 hours remaining, 111.691406 MB of memory in use. ENERGY: 527800 615.2889 1892.3079 1952.8326 93.8684 -0.8178 -1091.9874 0.0000 0.0000 2726.1072 6187.5998 301.1061 3461.4926 6220.5324 297.8607 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: 2144.79, 0.00392552/step Wall: 2144.79, 0.00392552/step, 2.15032 hours remaining, 111.691406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 528000 643.0066 1880.7285 1939.1049 101.9604 0.5059 -1110.7175 0.0000 0.0000 2733.7095 6188.2983 301.9458 3454.5888 6223.1900 299.7339 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: 2145.58, 0.00392576/step Wall: 2145.58, 0.00392576/step, 2.15023 hours remaining, 111.691406 MB of memory in use. ENERGY: 528200 662.0573 1810.2391 1948.6391 99.7346 -0.4994 -1091.5206 0.0000 0.0000 2732.6302 6161.2802 301.8266 3428.6500 6194.3074 300.2646 LDB: ============= START OF LOAD BALANCING ============== 2148.28 LDB: ============== END OF LOAD BALANCING =============== 2148.28 LDB: =============== DONE WITH MIGRATION ================ 2148.28 LDB: ============= START OF LOAD BALANCING ============== 2148.67 LDB: ============== END OF LOAD BALANCING =============== 2148.67 LDB: =============== DONE WITH MIGRATION ================ 2148.67 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: 2146.36, 0.00392197/step Wall: 2146.36, 0.00392197/step, 2.14793 hours remaining, 111.691406 MB of memory in use. ENERGY: 528400 650.7928 1809.4514 1965.5765 93.7772 -0.1481 -1082.9659 0.0000 0.0000 2675.4033 6111.8871 295.5057 3436.4839 6142.8363 295.2833 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: 2147.15, 0.00392348/step Wall: 2147.15, 0.00392348/step, 2.14854 hours remaining, 111.691406 MB of memory in use. ENERGY: 528600 664.2003 1800.0635 1940.3736 97.5432 -0.7907 -1072.6655 0.0000 0.0000 2735.3681 6164.0925 302.1290 3428.7244 6196.2312 297.0750 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: 2147.93, 0.00392257/step Wall: 2147.93, 0.00392257/step, 2.14782 hours remaining, 111.691406 MB of memory in use. ENERGY: 528800 659.4867 1836.1227 1941.3814 94.3627 0.7457 -1083.4825 0.0000 0.0000 2720.7408 6169.3575 300.5134 3448.6167 6201.9701 297.8074 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: 2148.72, 0.00392701/step Wall: 2148.72, 0.00392701/step, 2.15004 hours remaining, 111.691406 MB of memory in use. ENERGY: 529000 678.1531 1844.6709 1941.9715 109.8863 1.4547 -1106.8315 0.0000 0.0000 2739.5428 6208.8478 302.5901 3469.3050 6242.5074 298.2071 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: 2149.5, 0.00392516/step Wall: 2149.5, 0.00392516/step, 2.14881 hours remaining, 111.691406 MB of memory in use. ENERGY: 529200 638.1727 1857.4124 1957.6674 120.0594 0.1546 -1069.2302 0.0000 0.0000 2710.9754 6215.2117 299.4348 3504.2362 6251.7775 299.7547 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: 2150.29, 0.00391799/step Wall: 2150.29, 0.00391799/step, 2.14466 hours remaining, 111.691406 MB of memory in use. ENERGY: 529400 643.0286 1885.4400 1948.0761 109.7401 0.4459 -1088.1646 0.0000 0.0000 2724.0028 6222.5688 300.8737 3498.5661 6254.9217 299.1914 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: 2151.07, 0.00392457/step Wall: 2151.07, 0.00392457/step, 2.14805 hours remaining, 111.691406 MB of memory in use. ENERGY: 529600 646.3934 1842.4917 1926.8754 113.3375 1.0452 -1049.0036 0.0000 0.0000 2766.7367 6247.8762 305.5938 3481.1396 6282.3822 300.3204 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: 2151.85, 0.00392466/step Wall: 2151.85, 0.00392466/step, 2.14788 hours remaining, 111.691406 MB of memory in use. ENERGY: 529800 682.6376 1845.4266 1954.0233 123.6693 1.7623 -1093.8384 0.0000 0.0000 2717.4225 6231.1032 300.1469 3513.6807 6266.1767 300.1816 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: 2152.64, 0.00392676/step Wall: 2152.64, 0.00392676/step, 2.14881 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 530000 665.0060 1851.4677 1942.6113 106.2133 1.2616 -1070.4588 0.0000 0.0000 2754.4807 6250.5818 304.2401 3496.1010 6284.7178 301.8683 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 530000 WRITING COORDINATES TO DCD FILE MD.1.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: 2153.52, 0.00441563/step Wall: 2153.52, 0.00441563/step, 2.41608 hours remaining, 111.816406 MB of memory in use. ENERGY: 530200 631.4904 1938.6637 1943.9964 108.9413 1.5325 -1070.1473 0.0000 0.0000 2757.0409 6311.5178 304.5228 3554.4769 6345.0807 303.4289 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: 2154.31, 0.00391765/step Wall: 2154.31, 0.00391765/step, 2.14339 hours remaining, 111.816406 MB of memory in use. ENERGY: 530400 689.5841 1897.4109 1953.4398 113.6556 2.3057 -1092.9533 0.0000 0.0000 2818.4445 6381.8873 311.3050 3563.4428 6419.0142 305.8841 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: 2155.09, 0.00392476/step Wall: 2155.09, 0.00392476/step, 2.14706 hours remaining, 111.816406 MB of memory in use. ENERGY: 530600 671.0887 1861.6809 1960.1653 98.2715 1.4422 -1077.4798 0.0000 0.0000 2785.6047 6300.7736 307.6778 3515.1689 6334.1191 304.8744 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: 2155.88, 0.00392505/step Wall: 2155.88, 0.00392505/step, 2.147 hours remaining, 111.816406 MB of memory in use. ENERGY: 530800 663.2236 1871.5729 1974.0293 120.1461 0.2552 -1108.5904 0.0000 0.0000 2796.8378 6317.4744 308.9185 3520.6366 6350.0989 305.4336 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: 2156.66, 0.00393859/step Wall: 2156.66, 0.00393859/step, 2.15419 hours remaining, 111.816406 MB of memory in use. ENERGY: 531000 649.9557 1875.8631 1984.9940 108.1083 2.7186 -1088.7336 0.0000 0.0000 2765.5303 6298.4364 305.4605 3532.9061 6333.0680 304.9096 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: 2157.45, 0.00391785/step Wall: 2157.45, 0.00391785/step, 2.14263 hours remaining, 111.816406 MB of memory in use. ENERGY: 531200 630.8345 1855.4497 1987.3593 106.0586 2.6289 -1044.7169 0.0000 0.0000 2762.6921 6300.3062 305.1470 3537.6141 6337.5132 305.3312 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: 2158.23, 0.00392293/step Wall: 2158.23, 0.00392293/step, 2.14519 hours remaining, 111.816406 MB of memory in use. ENERGY: 531400 611.6156 1848.5390 2009.6269 111.1287 1.4533 -1065.4030 0.0000 0.0000 2736.5185 6253.4790 302.2561 3516.9605 6288.9251 301.0766 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: 2159.02, 0.00392385/step Wall: 2159.02, 0.00392385/step, 2.14547 hours remaining, 111.816406 MB of memory in use. ENERGY: 531600 608.2547 1903.7244 1981.9116 110.0244 2.5710 -1052.4032 0.0000 0.0000 2702.8011 6256.8840 298.5319 3554.0829 6287.4516 299.9580 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: 2159.8, 0.00392274/step Wall: 2159.8, 0.00392274/step, 2.14465 hours remaining, 111.816406 MB of memory in use. ENERGY: 531800 649.8592 1832.1064 2017.9176 104.0801 1.1133 -1097.9423 0.0000 0.0000 2725.9722 6233.1064 301.0912 3507.1343 6266.6673 300.5787 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: 2160.59, 0.00392391/step Wall: 2160.59, 0.00392391/step, 2.14507 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 532000 649.3357 1828.1073 1983.4629 109.9269 3.6949 -1088.6959 0.0000 0.0000 2683.4152 6169.2470 296.3907 3485.8318 6200.5684 299.6802 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: 2161.37, 0.00391736/step Wall: 2161.37, 0.00391736/step, 2.14127 hours remaining, 111.816406 MB of memory in use. ENERGY: 532200 648.5592 1833.9393 1986.9298 102.9835 3.5454 -1071.7578 0.0000 0.0000 2671.0984 6175.2978 295.0303 3504.1994 6208.2092 295.0874 LDB: ============= START OF LOAD BALANCING ============== 2164.07 LDB: ============== END OF LOAD BALANCING =============== 2164.07 LDB: =============== DONE WITH MIGRATION ================ 2164.07 LDB: ============= START OF LOAD BALANCING ============== 2164.46 LDB: ============== END OF LOAD BALANCING =============== 2164.46 LDB: =============== DONE WITH MIGRATION ================ 2164.46 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: 2162.16, 0.00392706/step Wall: 2162.16, 0.00392706/step, 2.14636 hours remaining, 111.816406 MB of memory in use. ENERGY: 532400 667.0664 1836.6932 1989.5518 107.9587 1.8464 -1092.2881 0.0000 0.0000 2673.4708 6184.2991 295.2923 3510.8284 6217.5832 295.7539 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: 2162.94, 0.00392681/step Wall: 2162.94, 0.00392681/step, 2.146 hours remaining, 111.816406 MB of memory in use. ENERGY: 532600 660.6973 1848.1162 1967.9079 103.1771 2.8213 -1090.4888 0.0000 0.0000 2656.9375 6149.1685 293.4661 3492.2310 6178.2517 297.4742 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: 2163.73, 0.00392285/step Wall: 2163.73, 0.00392285/step, 2.14362 hours remaining, 111.816406 MB of memory in use. ENERGY: 532800 630.8823 1788.0681 2000.3210 112.9069 1.6867 -1094.2650 0.0000 0.0000 2677.3711 6116.9710 295.7231 3439.6000 6147.6453 295.4942 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: 2164.51, 0.00391789/step Wall: 2164.51, 0.00391789/step, 2.14069 hours remaining, 111.816406 MB of memory in use. ENERGY: 533000 627.7865 1813.2661 1966.6192 101.0605 0.6065 -1082.3532 0.0000 0.0000 2729.1582 6156.1437 301.4431 3426.9855 6189.9936 295.5392 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: 2165.29, 0.00392094/step Wall: 2165.29, 0.00392094/step, 2.14214 hours remaining, 111.816406 MB of memory in use. ENERGY: 533200 687.8018 1854.1621 1957.1928 98.4020 2.1928 -1113.1156 0.0000 0.0000 2682.2784 6168.9144 296.2651 3486.6359 6199.4868 294.8143 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: 2166.08, 0.00393937/step Wall: 2166.08, 0.00393937/step, 2.15199 hours remaining, 111.816406 MB of memory in use. ENERGY: 533400 638.9879 1815.5343 1961.5687 105.2666 2.4380 -1096.4289 0.0000 0.0000 2745.2514 6172.6179 303.2207 3427.3665 6204.7631 298.2888 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: 2166.87, 0.00392681/step Wall: 2166.87, 0.00392681/step, 2.14491 hours remaining, 111.816406 MB of memory in use. ENERGY: 533600 651.7661 1868.3876 1955.7339 100.8112 3.4242 -1087.2865 0.0000 0.0000 2705.0324 6197.8689 298.7784 3492.8365 6229.2880 298.5924 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: 2167.65, 0.00392325/step Wall: 2167.65, 0.00392325/step, 2.14275 hours remaining, 111.816406 MB of memory in use. ENERGY: 533800 641.4532 1843.1745 1955.4784 94.2209 3.0319 -1103.0583 0.0000 0.0000 2764.7969 6199.0975 305.3795 3434.3007 6232.8106 298.1616 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: 2168.43, 0.00391732/step Wall: 2168.43, 0.00391732/step, 2.13929 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 534000 633.0240 1873.4969 1928.9188 103.9885 0.9660 -1078.1204 0.0000 0.0000 2681.2017 6143.4753 296.1462 3462.2736 6176.0884 297.6634 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: 2169.22, 0.00392126/step Wall: 2169.22, 0.00392126/step, 2.14123 hours remaining, 111.816406 MB of memory in use. ENERGY: 534200 651.9121 1829.8389 1968.7221 113.9893 0.9418 -1046.8604 0.0000 0.0000 2667.5135 6186.0573 294.6343 3518.5438 6216.5733 295.7054 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: 2170, 0.00392248/step Wall: 2170, 0.00392248/step, 2.14167 hours remaining, 111.816406 MB of memory in use. ENERGY: 534400 669.7337 1887.4089 1976.8628 109.4897 0.2780 -1128.1308 0.0000 0.0000 2688.0425 6203.6849 296.9018 3515.6424 6233.5988 298.4163 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: 2170.79, 0.00392124/step Wall: 2170.79, 0.00392124/step, 2.14078 hours remaining, 111.816406 MB of memory in use. ENERGY: 534600 661.1678 1851.6712 1974.0232 97.0894 2.3693 -1081.7489 0.0000 0.0000 2668.8876 6173.4596 294.7861 3504.5720 6204.7654 297.8345 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: 2171.57, 0.00392083/step Wall: 2171.57, 0.00392083/step, 2.14034 hours remaining, 111.816406 MB of memory in use. ENERGY: 534800 665.7377 1864.9635 1939.9021 101.5533 1.6041 -1081.3092 0.0000 0.0000 2745.0163 6237.4678 303.1947 3492.4515 6269.7604 300.2503 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: 2172.36, 0.00391667/step Wall: 2172.36, 0.00391668/step, 2.13785 hours remaining, 111.816406 MB of memory in use. ENERGY: 535000 677.4538 1851.4460 1992.9412 121.5556 2.0332 -1097.7787 0.0000 0.0000 2676.6287 6224.2797 295.6411 3547.6511 6258.5854 300.6132 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: 2173.14, 0.00392344/step Wall: 2173.14, 0.00392344/step, 2.14132 hours remaining, 111.816406 MB of memory in use. ENERGY: 535200 654.9651 1809.8633 2008.7482 115.7889 3.2146 -1081.2628 0.0000 0.0000 2772.8087 6284.1259 306.2644 3511.3173 6319.7217 303.2954 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: 2173.92, 0.00392285/step Wall: 2173.92, 0.00392285/step, 2.14078 hours remaining, 111.816406 MB of memory in use. ENERGY: 535400 622.4759 1900.6181 1971.9857 101.4696 3.3943 -1117.3456 0.0000 0.0000 2703.9350 6186.5330 298.6572 3482.5980 6220.1353 301.5107 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: 2174.71, 0.00392277/step Wall: 2174.71, 0.00392277/step, 2.14052 hours remaining, 111.816406 MB of memory in use. ENERGY: 535600 638.0304 1854.4291 1937.2177 98.1492 2.6589 -1059.9929 0.0000 0.0000 2697.8203 6168.3127 297.9818 3470.4924 6202.0466 298.5928 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: 2175.49, 0.00391677/step Wall: 2175.49, 0.00391677/step, 2.13703 hours remaining, 111.816406 MB of memory in use. ENERGY: 535800 647.4636 1855.3955 1980.5820 118.4842 2.7221 -1102.1437 0.0000 0.0000 2702.9380 6205.4417 298.5470 3502.5037 6236.3704 298.1689 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: 2176.28, 0.00392122/step Wall: 2176.28, 0.00392122/step, 2.13924 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 536000 652.6235 1824.6098 1958.4240 115.4863 3.8393 -1074.0477 0.0000 0.0000 2716.9131 6197.8484 300.0906 3480.9353 6231.5145 300.0576 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: 2177.06, 0.00392267/step Wall: 2177.06, 0.00392267/step, 2.13982 hours remaining, 111.816406 MB of memory in use. ENERGY: 536200 640.3935 1850.2954 1971.3684 121.5693 2.3829 -1097.0378 0.0000 0.0000 2675.2708 6164.2426 295.4911 3488.9718 6196.7526 298.4825 LDB: ============= START OF LOAD BALANCING ============== 2179.76 LDB: ============== END OF LOAD BALANCING =============== 2179.76 LDB: =============== DONE WITH MIGRATION ================ 2179.76 LDB: ============= START OF LOAD BALANCING ============== 2180.16 LDB: ============== END OF LOAD BALANCING =============== 2180.16 LDB: =============== DONE WITH MIGRATION ================ 2180.16 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: 2177.85, 0.00392723/step Wall: 2177.85, 0.00392723/step, 2.14209 hours remaining, 111.816406 MB of memory in use. ENERGY: 536400 637.4344 1787.9880 1973.9200 95.7942 2.9697 -1138.5276 0.0000 0.0000 2726.8812 6086.4600 301.1916 3359.5788 6119.8623 296.3057 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: 2178.63, 0.00392321/step Wall: 2178.63, 0.00392321/step, 2.13967 hours remaining, 111.816406 MB of memory in use. ENERGY: 536600 667.5813 1827.8876 1952.7274 99.2300 1.8976 -1104.1564 0.0000 0.0000 2626.5151 6071.6825 290.1059 3445.1675 6103.3267 293.2905 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: 2179.41, 0.00391639/step Wall: 2179.41, 0.00391639/step, 2.13574 hours remaining, 111.816406 MB of memory in use. ENERGY: 536800 653.5885 1810.5579 1973.0844 104.3715 2.2633 -1100.0076 0.0000 0.0000 2668.5677 6112.4258 294.7507 3443.8580 6144.3339 295.8802 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: 2180.2, 0.00391987/step Wall: 2180.2, 0.00391987/step, 2.13742 hours remaining, 111.816406 MB of memory in use. ENERGY: 537000 609.4916 1801.4032 1950.2280 113.0208 2.2524 -1090.8849 0.0000 0.0000 2740.9384 6126.4495 302.7443 3385.5111 6160.6393 295.6659 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: 2180.98, 0.00392343/step Wall: 2180.98, 0.00392343/step, 2.13914 hours remaining, 111.816406 MB of memory in use. ENERGY: 537200 666.5631 1784.2394 1952.9063 113.6571 3.4527 -1085.2569 0.0000 0.0000 2738.5254 6174.0872 302.4778 3435.5617 6207.7687 297.7908 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: 2181.77, 0.00392189/step Wall: 2181.77, 0.00392189/step, 2.13808 hours remaining, 111.816406 MB of memory in use. ENERGY: 537400 653.2539 1852.4080 1968.6539 110.4569 2.8645 -1121.1255 0.0000 0.0000 2744.8643 6211.3761 303.1779 3466.5118 6245.7835 299.3552 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: 2182.55, 0.00392264/step Wall: 2182.55, 0.00392264/step, 2.13827 hours remaining, 111.816406 MB of memory in use. ENERGY: 537600 716.5080 1843.6239 1962.7020 109.8603 2.8609 -1121.3641 0.0000 0.0000 2738.7037 6252.8948 302.4975 3514.1911 6285.7009 301.3183 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: 2183.34, 0.00391701/step Wall: 2183.34, 0.00391701/step, 2.13499 hours remaining, 111.816406 MB of memory in use. ENERGY: 537800 671.2241 1865.4012 1980.7921 102.8762 2.0521 -1112.7750 0.0000 0.0000 2694.1416 6203.7123 297.5754 3509.5706 6236.9234 301.5255 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: 2184.12, 0.00392112/step Wall: 2184.12, 0.00392112/step, 2.13701 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 538000 627.8440 1899.2731 1938.1530 105.6864 2.4956 -1099.9320 0.0000 0.0000 2733.3617 6206.8818 301.9074 3473.5201 6242.1369 300.1812 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: 2184.9, 0.00392215/step Wall: 2184.9, 0.00392215/step, 2.13735 hours remaining, 111.816406 MB of memory in use. ENERGY: 538200 677.6766 1861.0520 1939.6096 100.4557 1.7037 -1131.1824 0.0000 0.0000 2754.0721 6203.3872 304.1949 3449.3151 6241.5457 301.4303 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: 2185.69, 0.00392143/step Wall: 2185.69, 0.00392143/step, 2.13674 hours remaining, 111.816406 MB of memory in use. ENERGY: 538400 681.1830 1840.1203 1970.7309 97.2316 2.6034 -1120.5907 0.0000 0.0000 2709.4123 6180.6908 299.2621 3471.2785 6216.8671 299.7861 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: 2186.47, 0.0039167/step Wall: 2186.47, 0.0039167/step, 2.13395 hours remaining, 111.816406 MB of memory in use. ENERGY: 538600 673.1185 1846.3386 1962.1341 104.1295 4.3879 -1110.7527 0.0000 0.0000 2707.1882 6186.5441 299.0165 3479.3559 6218.5741 298.3981 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: 2187.26, 0.00391953/step Wall: 2187.26, 0.00391953/step, 2.13527 hours remaining, 111.816406 MB of memory in use. ENERGY: 538800 656.9936 1795.9694 1964.4429 116.4203 3.6426 -1094.0695 0.0000 0.0000 2721.5279 6164.9273 300.6003 3443.3994 6197.3482 298.6862 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: 2188.04, 0.00392243/step Wall: 2188.04, 0.00392243/step, 2.13663 hours remaining, 111.816406 MB of memory in use. ENERGY: 539000 635.5184 1819.5745 1968.4559 120.5823 2.9960 -1090.4179 0.0000 0.0000 2714.1120 6170.8211 299.7812 3456.7091 6206.2575 297.3343 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: 2188.83, 0.00392398/step Wall: 2188.83, 0.00392398/step, 2.13726 hours remaining, 111.816406 MB of memory in use. ENERGY: 539200 656.3481 1835.8704 1928.7073 113.6121 3.2692 -1100.6127 0.0000 0.0000 2704.9829 6142.1772 298.7729 3437.1944 6176.6837 298.4054 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: 2189.61, 0.00392203/step Wall: 2189.61, 0.00392203/step, 2.13598 hours remaining, 111.816406 MB of memory in use. ENERGY: 539400 651.6435 1813.8083 1950.3573 111.5837 3.8195 -1131.6549 0.0000 0.0000 2761.2457 6160.8030 304.9873 3399.5574 6193.3890 296.6750 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: 2190.39, 0.00391659/step Wall: 2190.39, 0.00391659/step, 2.1328 hours remaining, 111.816406 MB of memory in use. ENERGY: 539600 652.5438 1833.1703 1960.4163 111.5564 1.0932 -1108.2676 0.0000 0.0000 2715.3037 6165.8161 299.9129 3450.5124 6199.6805 299.4882 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: 2191.18, 0.00392243/step Wall: 2191.18, 0.00392243/step, 2.13576 hours remaining, 111.816406 MB of memory in use. ENERGY: 539800 662.8508 1878.9957 1936.8020 107.2709 2.5056 -1112.8072 0.0000 0.0000 2656.3632 6131.9810 293.4027 3475.6178 6162.6572 296.9931 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: 2191.96, 0.00392277/step Wall: 2191.96, 0.00392277/step, 2.13573 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 540000 676.8362 1849.6082 1943.8824 97.0568 1.8324 -1093.3856 0.0000 0.0000 2697.3409 6173.1713 297.9288 3475.8304 6206.7699 297.0106 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 540000 WRITING COORDINATES TO DCD FILE MD.1.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: 2192.78, 0.00410951/step Wall: 2192.78, 0.00410951/step, 2.23717 hours remaining, 111.816406 MB of memory in use. ENERGY: 540200 663.9714 1822.0431 1952.6428 100.1658 2.3065 -1084.4039 0.0000 0.0000 2707.9061 6164.6318 299.0958 3456.7257 6199.9446 299.0336 LDB: ============= START OF LOAD BALANCING ============== 2195.48 LDB: ============== END OF LOAD BALANCING =============== 2195.48 LDB: =============== DONE WITH MIGRATION ================ 2195.48 LDB: ============= START OF LOAD BALANCING ============== 2195.88 LDB: ============== END OF LOAD BALANCING =============== 2195.88 LDB: =============== DONE WITH MIGRATION ================ 2195.88 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: 2193.57, 0.00392494/step Wall: 2193.57, 0.00392494/step, 2.13648 hours remaining, 111.816406 MB of memory in use. ENERGY: 540400 643.6661 1917.6780 1948.3586 100.9781 1.8140 -1087.0238 0.0000 0.0000 2635.5157 6160.9867 291.1001 3525.4709 6193.2307 298.1040 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: 2194.35, 0.00391797/step Wall: 2194.35, 0.00391797/step, 2.13246 hours remaining, 111.816406 MB of memory in use. ENERGY: 540600 683.0412 1844.9242 1928.1223 102.9370 2.2044 -1123.6789 0.0000 0.0000 2701.8724 6139.4226 298.4293 3437.5502 6174.7696 297.7410 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: 2195.14, 0.00392191/step Wall: 2195.14, 0.00392191/step, 2.13439 hours remaining, 111.816406 MB of memory in use. ENERGY: 540800 653.8152 1856.4566 1935.5229 111.3534 1.8510 -1119.2470 0.0000 0.0000 2672.7729 6112.5251 295.2152 3439.7521 6147.3108 296.4629 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: 2195.92, 0.00392092/step Wall: 2195.92, 0.00392092/step, 2.13364 hours remaining, 111.816406 MB of memory in use. ENERGY: 541000 658.6465 1840.5558 1942.3525 101.9372 1.7118 -1100.7459 0.0000 0.0000 2698.2037 6142.6616 298.0241 3444.4579 6177.2437 297.7617 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: 2196.71, 0.00392974/step Wall: 2196.71, 0.00392974/step, 2.13821 hours remaining, 111.816406 MB of memory in use. ENERGY: 541200 656.1636 1827.6708 1959.3654 107.5718 1.6904 -1119.2498 0.0000 0.0000 2717.9960 6151.2083 300.2102 3433.2123 6184.1638 298.4668 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: 2197.49, 0.00391606/step Wall: 2197.49, 0.00391606/step, 2.13055 hours remaining, 111.816406 MB of memory in use. ENERGY: 541400 637.8587 1821.8156 1977.4108 106.8569 1.7493 -1095.6499 0.0000 0.0000 2735.9458 6185.9873 302.1928 3450.0414 6219.2185 299.4693 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: 2198.27, 0.00392006/step Wall: 2198.27, 0.00392006/step, 2.13251 hours remaining, 111.816406 MB of memory in use. ENERGY: 541600 625.3429 1847.7886 1966.3313 114.3293 2.1246 -1077.2893 0.0000 0.0000 2669.0690 6147.6964 294.8061 3478.6274 6178.6742 297.8127 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: 2199.06, 0.00392229/step Wall: 2199.06, 0.00392229/step, 2.13351 hours remaining, 111.816406 MB of memory in use. ENERGY: 541800 652.1265 1795.1364 1976.3768 114.5568 1.4878 -1112.9510 0.0000 0.0000 2713.9003 6140.6336 299.7579 3426.7333 6173.2234 296.5815 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: 2199.84, 0.00392164/step Wall: 2199.84, 0.00392164/step, 2.13294 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 542000 650.8348 1834.1010 1967.3318 118.6305 2.4316 -1096.8909 0.0000 0.0000 2710.1734 6186.6124 299.3462 3476.4389 6217.6637 296.5510 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: 2200.63, 0.00392173/step Wall: 2200.63, 0.00392172/step, 2.13276 hours remaining, 111.816406 MB of memory in use. ENERGY: 542200 617.8034 1810.4604 1964.7871 121.9976 1.3086 -1096.3755 0.0000 0.0000 2746.8048 6166.7864 303.3922 3419.9816 6199.0260 299.1902 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: 2201.41, 0.00391543/step Wall: 2201.41, 0.00391544/step, 2.12913 hours remaining, 111.816406 MB of memory in use. ENERGY: 542400 683.8640 1835.6812 1974.6791 110.5577 0.9713 -1125.1585 0.0000 0.0000 2690.0719 6170.6668 297.1259 3480.5949 6203.2948 297.6021 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: 2202.19, 0.00392098/step Wall: 2202.19, 0.00392098/step, 2.13192 hours remaining, 111.816406 MB of memory in use. ENERGY: 542600 636.7801 1846.4042 1967.1820 92.6177 1.7922 -1104.7899 0.0000 0.0000 2701.0051 6140.9914 298.3335 3439.9863 6174.6715 298.7303 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: 2202.98, 0.00392425/step Wall: 2202.98, 0.00392425/step, 2.13349 hours remaining, 111.816406 MB of memory in use. ENERGY: 542800 648.7580 1838.0812 1973.1101 101.8658 1.7985 -1075.1890 0.0000 0.0000 2674.8116 6163.2363 295.4404 3488.4247 6196.0698 297.9991 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: 2203.76, 0.003923/step Wall: 2203.76, 0.003923/step, 2.13259 hours remaining, 111.816406 MB of memory in use. ENERGY: 543000 688.0703 1892.1693 1976.1630 118.0001 2.9224 -1120.3842 0.0000 0.0000 2607.9858 6164.9267 288.0593 3556.9409 6194.7353 296.9238 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: 2204.55, 0.00391723/step Wall: 2204.55, 0.00391723/step, 2.12923 hours remaining, 111.816406 MB of memory in use. ENERGY: 543200 631.7093 1879.8559 1947.7329 116.3944 2.7791 -1105.2375 0.0000 0.0000 2694.3685 6167.6026 297.6005 3473.2341 6199.8273 297.7980 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: 2205.33, 0.00392306/step Wall: 2205.33, 0.00392306/step, 2.13218 hours remaining, 111.816406 MB of memory in use. ENERGY: 543400 653.6815 1842.0777 1963.7417 117.4529 1.9503 -1070.2803 0.0000 0.0000 2677.0057 6185.6295 295.6827 3508.6239 6217.2368 298.6767 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: 2206.12, 0.00392259/step Wall: 2206.12, 0.00392259/step, 2.13171 hours remaining, 111.816406 MB of memory in use. ENERGY: 543600 648.8130 1869.6466 1938.9772 108.9751 1.2966 -1111.7084 0.0000 0.0000 2714.8357 6170.8357 299.8612 3456.0000 6202.8153 298.8972 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: 2206.9, 0.0039235/step Wall: 2206.9, 0.0039235/step, 2.13198 hours remaining, 111.816406 MB of memory in use. ENERGY: 543800 625.6066 1889.3242 1945.6893 111.0464 2.4144 -1104.7484 0.0000 0.0000 2684.3702 6153.7026 296.4962 3469.3324 6188.4414 298.9554 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: 2207.69, 0.0039225/step Wall: 2207.69, 0.0039225/step, 2.13122 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 544000 658.1410 1871.5567 1954.2522 102.5093 0.8674 -1130.7571 0.0000 0.0000 2726.9056 6183.4750 301.1943 3456.5694 6220.3372 298.8288 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: 2208.47, 0.00391963/step Wall: 2208.47, 0.00391963/step, 2.12945 hours remaining, 111.816406 MB of memory in use. ENERGY: 544200 654.3445 1866.0997 1965.2950 115.4993 1.6800 -1087.7462 0.0000 0.0000 2633.8707 6149.0430 290.9184 3515.1724 6181.6359 297.7984 LDB: ============= START OF LOAD BALANCING ============== 2211.17 LDB: ============== END OF LOAD BALANCING =============== 2211.17 LDB: =============== DONE WITH MIGRATION ================ 2211.17 LDB: ============= START OF LOAD BALANCING ============== 2211.56 LDB: ============== END OF LOAD BALANCING =============== 2211.56 LDB: =============== DONE WITH MIGRATION ================ 2211.56 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: 2209.26, 0.00392766/step Wall: 2209.26, 0.00392765/step, 2.13359 hours remaining, 111.816406 MB of memory in use. ENERGY: 544400 612.2160 1778.0821 1929.8529 103.2020 1.8527 -1091.4110 0.0000 0.0000 2750.5778 6084.3726 303.8090 3333.7947 6119.4706 294.6579 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: 2210.04, 0.00392375/step Wall: 2210.04, 0.00392375/step, 2.13125 hours remaining, 111.816406 MB of memory in use. ENERGY: 544600 698.7958 1850.9694 1928.8681 100.7299 2.6495 -1082.2342 0.0000 0.0000 2661.8123 6161.5908 294.0046 3499.7786 6192.8346 296.0790 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: 2210.82, 0.0039239/step Wall: 2210.82, 0.0039239/step, 2.13111 hours remaining, 111.816406 MB of memory in use. ENERGY: 544800 636.1641 1827.2203 1954.8190 107.4878 0.9241 -1118.6522 0.0000 0.0000 2726.8780 6134.8410 301.1913 3407.9631 6170.1714 297.5224 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: 2211.61, 0.00392176/step Wall: 2211.61, 0.00392176/step, 2.12973 hours remaining, 111.816406 MB of memory in use. ENERGY: 545000 658.7840 1826.6498 1968.5087 104.3653 0.8773 -1122.6329 0.0000 0.0000 2671.0522 6107.6044 295.0252 3436.5522 6142.8927 295.0826 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: 2212.39, 0.00391941/step Wall: 2212.39, 0.00391941/step, 2.12824 hours remaining, 111.816406 MB of memory in use. ENERGY: 545200 686.6188 1786.8132 1956.1986 114.8839 2.6215 -1125.2894 0.0000 0.0000 2686.9035 6108.7502 296.7760 3421.8468 6141.6624 294.3853 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: 2213.18, 0.00392394/step Wall: 2213.18, 0.00392394/step, 2.13048 hours remaining, 111.816406 MB of memory in use. ENERGY: 545400 648.4471 1816.9268 1948.1416 108.1038 2.4376 -1090.1464 0.0000 0.0000 2696.1929 6130.1035 297.8020 3433.9105 6162.1348 296.1601 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: 2213.96, 0.00392154/step Wall: 2213.96, 0.00392154/step, 2.12896 hours remaining, 111.816406 MB of memory in use. ENERGY: 545600 636.5955 1832.9118 1956.5079 117.1695 2.8991 -1107.9567 0.0000 0.0000 2668.3694 6106.4964 294.7288 3438.1270 6136.0491 295.4524 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: 2214.75, 0.00392358/step Wall: 2214.75, 0.00392358/step, 2.12985 hours remaining, 111.816406 MB of memory in use. ENERGY: 545800 656.9752 1881.2201 1936.1546 107.8300 3.2104 -1070.4350 0.0000 0.0000 2581.1868 6096.1421 285.0993 3514.9553 6124.0640 294.1844 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: 2215.53, 0.00391645/step Wall: 2215.53, 0.00391644/step, 2.12576 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 546000 658.4155 1812.1245 1961.4215 99.1117 0.9115 -1088.1178 0.0000 0.0000 2656.0319 6099.8988 293.3661 3443.8670 6130.6829 293.1682 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: 2216.31, 0.0039201/step Wall: 2216.31, 0.00392011/step, 2.12753 hours remaining, 111.816406 MB of memory in use. ENERGY: 546200 655.7884 1828.3707 1944.8224 105.6125 2.4968 -1070.3844 0.0000 0.0000 2670.1973 6136.9036 294.9307 3466.7064 6169.2643 296.3992 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: 2217.1, 0.00392099/step Wall: 2217.1, 0.00392099/step, 2.12779 hours remaining, 111.816406 MB of memory in use. ENERGY: 546400 676.5833 1862.5564 1928.5669 109.7671 3.0068 -1099.5427 0.0000 0.0000 2682.9749 6163.9126 296.3420 3480.9378 6195.6577 297.7424 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: 2217.88, 0.00392056/step Wall: 2217.88, 0.00392056/step, 2.12734 hours remaining, 111.816406 MB of memory in use. ENERGY: 546600 634.6360 1817.5073 1986.5461 103.4650 1.6419 -1110.1427 0.0000 0.0000 2701.5360 6135.1896 298.3922 3433.6536 6170.4785 296.9858 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: 2218.67, 0.00392112/step Wall: 2218.67, 0.00392112/step, 2.12743 hours remaining, 111.816406 MB of memory in use. ENERGY: 546800 657.1366 1817.3485 1960.4915 96.7770 1.3676 -1060.6990 0.0000 0.0000 2707.5084 6179.9305 299.0518 3472.4221 6214.6197 297.4550 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: 2219.45, 0.00391595/step Wall: 2219.45, 0.00391595/step, 2.12441 hours remaining, 111.816406 MB of memory in use. ENERGY: 547000 623.5513 1836.7801 1939.0589 118.0240 1.9856 -1091.1308 0.0000 0.0000 2740.0403 6168.3094 302.6451 3428.2691 6202.5696 298.9608 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: 2220.23, 0.00392012/step Wall: 2220.23, 0.00392012/step, 2.12644 hours remaining, 111.816406 MB of memory in use. ENERGY: 547200 669.0218 1827.9236 1973.5260 118.5704 1.7865 -1078.1249 0.0000 0.0000 2716.8019 6229.5052 300.0783 3512.7033 6260.9438 299.6332 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: 2221.02, 0.00392393/step Wall: 2221.02, 0.00392393/step, 2.12829 hours remaining, 111.816406 MB of memory in use. ENERGY: 547400 647.9534 1827.8447 1962.6693 121.2216 0.8681 -1093.6743 0.0000 0.0000 2771.7402 6238.6230 306.1464 3466.8828 6269.3605 300.7974 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: 2221.8, 0.00392097/step Wall: 2221.8, 0.00392097/step, 2.12647 hours remaining, 111.816406 MB of memory in use. ENERGY: 547600 586.5071 1859.2787 1975.2880 115.4677 0.9401 -1062.4396 0.0000 0.0000 2763.9880 6239.0299 305.2902 3475.0419 6272.9160 301.6120 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: 2222.59, 0.00391674/step Wall: 2222.59, 0.00391674/step, 2.12396 hours remaining, 111.816406 MB of memory in use. ENERGY: 547800 647.6399 1833.2072 1960.1210 119.8459 1.0149 -1071.6602 0.0000 0.0000 2745.0995 6235.2682 303.2039 3490.1687 6268.9824 301.5768 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: 2223.37, 0.00392192/step Wall: 2223.37, 0.00392192/step, 2.12655 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 548000 620.0154 1814.7808 1955.3096 109.7857 2.0459 -1044.1035 0.0000 0.0000 2771.2843 6229.1181 306.0961 3457.8338 6265.7126 300.4286 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: 2224.15, 0.00392088/step Wall: 2224.15, 0.00392088/step, 2.12577 hours remaining, 111.816406 MB of memory in use. ENERGY: 548200 643.1735 1866.7607 1957.4781 120.7053 1.8220 -1092.6685 0.0000 0.0000 2733.5112 6230.7824 301.9239 3497.2713 6265.3892 300.3757 LDB: ============= START OF LOAD BALANCING ============== 2226.86 LDB: ============== END OF LOAD BALANCING =============== 2226.86 LDB: =============== DONE WITH MIGRATION ================ 2226.86 LDB: ============= START OF LOAD BALANCING ============== 2227.25 LDB: ============== END OF LOAD BALANCING =============== 2227.25 LDB: =============== DONE WITH MIGRATION ================ 2227.25 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: 2224.94, 0.003925/step Wall: 2224.94, 0.003925/step, 2.12779 hours remaining, 111.816406 MB of memory in use. ENERGY: 548400 687.6937 1835.8746 1970.4565 104.5526 0.4017 -1104.8737 0.0000 0.0000 2749.5861 6243.6916 303.6994 3494.1054 6275.9408 302.0562 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: 2225.73, 0.00393957/step Wall: 2225.73, 0.00393957/step, 2.13547 hours remaining, 111.816406 MB of memory in use. ENERGY: 548600 628.7717 1840.7419 1975.2258 101.4827 2.3400 -1075.2166 0.0000 0.0000 2763.6535 6236.9990 305.2532 3473.3455 6272.4220 302.6787 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: 2226.51, 0.00392047/step Wall: 2226.51, 0.00392047/step, 2.12489 hours remaining, 111.816406 MB of memory in use. ENERGY: 548800 648.1877 1826.4987 1963.0924 108.6318 0.3661 -1073.9685 0.0000 0.0000 2741.0128 6213.8209 302.7525 3472.8081 6246.0125 301.4921 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: 2227.3, 0.00392529/step Wall: 2227.3, 0.00392529/step, 2.12729 hours remaining, 111.816406 MB of memory in use. ENERGY: 549000 686.6947 1835.5957 1939.7122 92.7763 1.3352 -1065.5448 0.0000 0.0000 2733.0523 6223.6215 301.8732 3490.5692 6255.1368 299.9440 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: 2228.08, 0.00392187/step Wall: 2228.08, 0.00392187/step, 2.12522 hours remaining, 111.816406 MB of memory in use. ENERGY: 549200 648.8808 1857.4511 1964.0509 103.1569 0.5393 -1086.3633 0.0000 0.0000 2787.0826 6274.7983 307.8410 3487.7156 6309.7488 303.2463 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: 2228.87, 0.00392373/step Wall: 2228.87, 0.00392373/step, 2.12601 hours remaining, 111.816406 MB of memory in use. ENERGY: 549400 677.0593 1882.9512 1975.5156 105.7785 0.7335 -1103.5091 0.0000 0.0000 2749.1936 6287.7225 303.6561 3538.5289 6320.8918 304.0322 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: 2229.65, 0.00392169/step Wall: 2229.65, 0.00392169/step, 2.12468 hours remaining, 111.816406 MB of memory in use. ENERGY: 549600 666.4903 1851.4578 1970.6919 110.8107 1.6518 -1084.2035 0.0000 0.0000 2701.9933 6218.8922 298.4427 3516.8990 6253.9318 303.4231 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: 2230.43, 0.00391719/step Wall: 2230.43, 0.00391719/step, 2.12203 hours remaining, 111.816406 MB of memory in use. ENERGY: 549800 667.1089 1899.0905 1951.8150 102.2150 1.4709 -1100.5105 0.0000 0.0000 2726.0804 6247.2702 301.1032 3521.1898 6282.5621 301.4081 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: 2231.22, 0.00392233/step Wall: 2231.22, 0.00392233/step, 2.1246 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 550000 657.1319 1948.4987 1939.2867 111.1546 0.4748 -1114.0193 0.0000 0.0000 2729.3523 6271.8797 301.4646 3542.5274 6303.6209 304.3194 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 550000 WRITING COORDINATES TO DCD FILE MD.1.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: 2232.04, 0.00412896/step Wall: 2232.04, 0.00412896/step, 2.23629 hours remaining, 111.816406 MB of memory in use. ENERGY: 550200 654.3177 1849.6190 1933.5760 109.5055 -0.0400 -1073.0960 0.0000 0.0000 2773.2946 6247.1768 306.3181 3473.8823 6282.6418 304.7002 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: 2232.83, 0.00392272/step Wall: 2232.83, 0.00392272/step, 2.12437 hours remaining, 111.816406 MB of memory in use. ENERGY: 550400 671.4496 1879.9015 1956.1581 116.8916 0.7458 -1095.1766 0.0000 0.0000 2715.0709 6245.0408 299.8871 3529.9700 6278.1053 302.3880 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: 2233.61, 0.00391555/step Wall: 2233.61, 0.00391555/step, 2.12027 hours remaining, 111.816406 MB of memory in use. ENERGY: 550600 673.0674 1859.9169 1942.6386 110.6221 1.1367 -1066.6013 0.0000 0.0000 2692.9720 6213.7525 297.4463 3520.7805 6244.8088 301.4838 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: 2234.4, 0.00392205/step Wall: 2234.4, 0.00392205/step, 2.12357 hours remaining, 111.816406 MB of memory in use. ENERGY: 550800 678.4742 1890.6488 1951.1056 112.9077 0.6593 -1085.7495 0.0000 0.0000 2680.6160 6228.6620 296.0815 3548.0461 6259.9928 299.6206 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: 2235.18, 0.00392272/step Wall: 2235.18, 0.00392272/step, 2.12372 hours remaining, 111.816406 MB of memory in use. ENERGY: 551000 645.3922 1826.7506 1963.2148 104.6122 0.0454 -1081.8816 0.0000 0.0000 2749.5210 6207.6548 303.6923 3458.1337 6242.7643 301.7437 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: 2235.97, 0.00392268/step Wall: 2235.97, 0.00392268/step, 2.12348 hours remaining, 111.816406 MB of memory in use. ENERGY: 551200 658.9674 1845.6476 1992.3231 98.9312 0.5050 -1087.3027 0.0000 0.0000 2761.6908 6270.7624 305.0364 3509.0716 6303.7717 302.2257 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: 2236.75, 0.00392291/step Wall: 2236.75, 0.00392291/step, 2.12338 hours remaining, 111.816406 MB of memory in use. ENERGY: 551400 658.9380 1908.3135 1969.2739 119.1230 0.6465 -1073.9894 0.0000 0.0000 2686.4930 6268.7985 296.7306 3582.3055 6300.1256 302.7919 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: 2237.53, 0.00391638/step Wall: 2237.53, 0.00391638/step, 2.11963 hours remaining, 111.816406 MB of memory in use. ENERGY: 551600 665.6549 1813.2391 1964.5818 91.7243 0.9902 -1068.8873 0.0000 0.0000 2686.0330 6153.3361 296.6798 3467.3030 6187.0612 299.1951 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: 2238.32, 0.00391751/step Wall: 2238.32, 0.00391751/step, 2.12003 hours remaining, 111.816406 MB of memory in use. ENERGY: 551800 652.3042 1844.2802 1970.3488 115.9854 2.3996 -1064.3102 0.0000 0.0000 2634.6868 6155.6947 291.0085 3521.0079 6187.6014 295.7805 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: 2239.1, 0.00391646/step Wall: 2239.1, 0.00391646/step, 2.11924 hours remaining, 111.816406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 552000 667.7094 1842.7280 1996.5401 106.9052 1.7661 -1101.3497 0.0000 0.0000 2623.9896 6138.2888 289.8270 3514.2992 6171.8349 295.0869 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: 2239.88, 0.00391705/step Wall: 2239.88, 0.00391705/step, 2.11934 hours remaining, 111.816406 MB of memory in use. ENERGY: 552200 653.4388 1799.7376 1959.6769 104.4912 0.4115 -1077.0681 0.0000 0.0000 2671.9647 6112.6527 295.1259 3440.6880 6144.0790 294.3559 LDB: ============= START OF LOAD BALANCING ============== 2242.58 LDB: ============== END OF LOAD BALANCING =============== 2242.58 LDB: =============== DONE WITH MIGRATION ================ 2242.58 LDB: ============= START OF LOAD BALANCING ============== 2242.98 LDB: ============== END OF LOAD BALANCING =============== 2242.98 LDB: =============== DONE WITH MIGRATION ================ 2242.98 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: 2240.67, 0.00392172/step Wall: 2240.67, 0.00392172/step, 2.12165 hours remaining, 111.816406 MB of memory in use. ENERGY: 552400 641.1260 1786.1265 1966.2269 118.5734 1.8736 -1088.4389 0.0000 0.0000 2691.5527 6117.0401 297.2895 3425.4874 6147.9264 294.5642 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: 2241.45, 0.00391526/step Wall: 2241.45, 0.00391526/step, 2.11794 hours remaining, 111.816406 MB of memory in use. ENERGY: 552600 653.0240 1790.3025 1962.5451 108.5302 1.2082 -1072.5374 0.0000 0.0000 2693.9998 6137.0724 297.5598 3443.0726 6169.9788 293.9749 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: 2242.23, 0.00391572/step Wall: 2242.23, 0.00391572/step, 2.11797 hours remaining, 111.816406 MB of memory in use. ENERGY: 552800 623.9895 1846.2275 1960.8789 117.7456 0.0931 -1044.4817 0.0000 0.0000 2680.9567 6185.4096 296.1191 3504.4529 6218.9690 297.7257 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: 2243.02, 0.0039175/step Wall: 2243.02, 0.0039175/step, 2.11871 hours remaining, 111.816406 MB of memory in use. ENERGY: 553000 661.3688 1828.8129 1969.2274 109.5806 -0.2902 -1061.2048 0.0000 0.0000 2744.1145 6251.6093 303.0951 3507.4948 6284.9046 300.3373 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: 2243.8, 0.00391706/step Wall: 2243.8, 0.00391706/step, 2.11826 hours remaining, 111.816406 MB of memory in use. ENERGY: 553200 638.3446 1844.3962 1964.4348 109.4625 1.9416 -1075.5435 0.0000 0.0000 2717.5887 6200.6249 300.1652 3483.0362 6233.1105 299.4528 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: 2244.58, 0.00391788/step Wall: 2244.58, 0.00391788/step, 2.11848 hours remaining, 111.820312 MB of memory in use. ENERGY: 553400 644.1820 1907.9289 1925.6884 109.8561 1.1424 -1105.8658 0.0000 0.0000 2726.4472 6209.3793 301.1437 3482.9321 6240.8026 299.6659 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: 2245.37, 0.00391621/step Wall: 2245.37, 0.00391621/step, 2.11736 hours remaining, 111.820312 MB of memory in use. ENERGY: 553600 666.7826 1887.6408 1981.9775 119.0789 1.1074 -1115.8954 0.0000 0.0000 2676.4996 6217.1913 295.6268 3540.6918 6249.6976 300.4555 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: 2246.15, 0.00391525/step Wall: 2246.15, 0.00391525/step, 2.11663 hours remaining, 111.820312 MB of memory in use. ENERGY: 553800 643.8915 1872.4922 1982.1239 115.7937 1.5018 -1104.1722 0.0000 0.0000 2670.0108 6181.6417 294.9101 3511.6309 6215.9355 300.4032 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: 2246.93, 0.00391679/step Wall: 2246.93, 0.00391679/step, 2.11724 hours remaining, 111.820312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 554000 635.9323 1870.6600 1965.0538 117.6342 -0.1716 -1108.2353 0.0000 0.0000 2698.7947 6179.6681 298.0894 3480.8735 6215.5273 298.6179 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: 2247.72, 0.00391653/step Wall: 2247.72, 0.00391653/step, 2.11688 hours remaining, 111.820312 MB of memory in use. ENERGY: 554200 659.4376 1844.2373 1974.1586 97.8600 1.0885 -1119.6363 0.0000 0.0000 2700.7217 6157.8672 298.3022 3457.1455 6188.3375 298.5997 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: 2248.5, 0.00391834/step Wall: 2248.5, 0.00391834/step, 2.11765 hours remaining, 111.820312 MB of memory in use. ENERGY: 554400 630.2322 1814.9058 1973.5613 114.4487 1.1900 -1063.0939 0.0000 0.0000 2738.8408 6210.0849 302.5126 3471.2441 6246.7057 297.7098 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: 2249.28, 0.00391711/step Wall: 2249.28, 0.00391711/step, 2.11676 hours remaining, 111.824219 MB of memory in use. ENERGY: 554600 640.7649 1850.6792 1995.6822 102.8482 0.5884 -1068.1305 0.0000 0.0000 2747.9463 6270.3788 303.5183 3522.4325 6304.6901 301.8372 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: 2250.07, 0.00391661/step Wall: 2250.07, 0.00391661/step, 2.11627 hours remaining, 111.824219 MB of memory in use. ENERGY: 554800 659.7729 1891.9462 1945.0188 111.9348 1.7480 -1078.9782 0.0000 0.0000 2776.4536 6307.8960 306.6670 3531.4424 6344.3881 304.4743 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: 2250.85, 0.00391539/step Wall: 2250.85, 0.00391539/step, 2.1154 hours remaining, 111.824219 MB of memory in use. ENERGY: 555000 684.5905 1857.1698 1979.6452 113.4276 1.7381 -1105.1451 0.0000 0.0000 2789.9394 6321.3655 308.1566 3531.4261 6354.4888 304.9974 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: 2251.63, 0.00391547/step Wall: 2251.63, 0.00391547/step, 2.11522 hours remaining, 111.824219 MB of memory in use. ENERGY: 555200 659.2639 1929.2100 1976.1530 107.7937 2.5941 -1078.2677 0.0000 0.0000 2714.7365 6311.4836 299.8502 3596.7471 6344.2882 303.4611 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: 2252.42, 0.00391555/step Wall: 2252.42, 0.00391555/step, 2.11505 hours remaining, 111.824219 MB of memory in use. ENERGY: 555400 654.6057 1828.5171 1992.3092 111.3087 1.6742 -1059.5065 0.0000 0.0000 2771.7308 6300.6393 306.1454 3528.9085 6335.7873 303.4351 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: 2253.2, 0.00391549/step Wall: 2253.2, 0.00391549/step, 2.1148 hours remaining, 111.824219 MB of memory in use. ENERGY: 555600 666.9680 1879.4040 1970.4333 118.8854 2.3720 -1088.2258 0.0000 0.0000 2698.9235 6248.7604 298.1036 3549.8369 6279.3056 303.1346 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: 2253.98, 0.00391546/step Wall: 2253.98, 0.00391546/step, 2.11457 hours remaining, 111.945312 MB of memory in use. ENERGY: 555800 657.2049 1845.9656 2010.5553 107.4737 2.2476 -1084.0068 0.0000 0.0000 2719.1301 6258.5705 300.3355 3539.4404 6291.9033 302.0264 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: 2254.77, 0.00392569/step Wall: 2254.77, 0.00392569/step, 2.11987 hours remaining, 111.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 556000 628.5341 1894.6490 1962.0198 103.3794 0.8129 -1058.8257 0.0000 0.0000 2726.1380 6256.7075 301.1095 3530.5695 6290.5662 302.3719 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: 2255.55, 0.00391527/step Wall: 2255.55, 0.00391527/step, 2.11403 hours remaining, 111.945312 MB of memory in use. ENERGY: 556200 664.9328 1889.2241 1979.4963 110.6568 0.1058 -1088.4562 0.0000 0.0000 2700.3515 6256.3111 298.2613 3555.9596 6289.9399 301.0868 LDB: ============= START OF LOAD BALANCING ============== 2258.25 LDB: ============== END OF LOAD BALANCING =============== 2258.25 LDB: =============== DONE WITH MIGRATION ================ 2258.25 LDB: ============= START OF LOAD BALANCING ============== 2258.65 LDB: ============== END OF LOAD BALANCING =============== 2258.65 LDB: =============== DONE WITH MIGRATION ================ 2258.65 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: 2256.34, 0.00392556/step Wall: 2256.34, 0.00392556/step, 2.11937 hours remaining, 111.945312 MB of memory in use. ENERGY: 556400 636.7454 1880.4450 1941.6257 110.7776 2.3096 -1106.2898 0.0000 0.0000 2833.2346 6298.8481 312.9387 3465.6136 6332.7128 303.2368 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: 2257.12, 0.00392109/step Wall: 2257.12, 0.00392109/step, 2.11673 hours remaining, 111.945312 MB of memory in use. ENERGY: 556600 698.4583 1876.3094 1983.8753 95.1461 0.3128 -1123.4006 0.0000 0.0000 2773.0624 6303.7637 306.2925 3530.7013 6336.9149 305.8706 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: 2257.9, 0.00392178/step Wall: 2257.9, 0.00392178/step, 2.11689 hours remaining, 111.945312 MB of memory in use. ENERGY: 556800 667.3886 1879.9873 1976.6384 104.4231 1.7190 -1105.9639 0.0000 0.0000 2719.8539 6244.0465 300.4154 3524.1926 6276.4025 304.2933 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: 2258.69, 0.00392055/step Wall: 2258.69, 0.00392055/step, 2.11601 hours remaining, 111.945312 MB of memory in use. ENERGY: 557000 696.5180 1822.9942 1965.1438 104.0169 1.2545 -1084.3508 0.0000 0.0000 2728.2599 6233.8365 301.3439 3505.5766 6266.2731 299.2794 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: 2259.47, 0.0039151/step Wall: 2259.47, 0.0039151/step, 2.11285 hours remaining, 111.945312 MB of memory in use. ENERGY: 557200 689.9210 1862.4015 1979.8396 109.3628 2.0771 -1120.2201 0.0000 0.0000 2724.6775 6248.0593 300.9482 3523.3818 6280.8717 302.3756 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: 2260.26, 0.00391905/step Wall: 2260.26, 0.00391905/step, 2.11477 hours remaining, 111.945312 MB of memory in use. ENERGY: 557400 661.4797 1859.7259 1931.8877 105.6239 1.8063 -1104.0320 0.0000 0.0000 2767.8698 6224.3613 305.7189 3456.4915 6257.3801 302.3313 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: 2261.04, 0.00392071/step Wall: 2261.04, 0.00392071/step, 2.11544 hours remaining, 111.945312 MB of memory in use. ENERGY: 557600 627.3930 1862.9593 2008.3889 113.1438 -0.4600 -1102.6471 0.0000 0.0000 2707.2539 6216.0318 299.0237 3508.7779 6249.8075 301.2762 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: 2261.82, 0.00391976/step Wall: 2261.82, 0.00391975/step, 2.11471 hours remaining, 111.945312 MB of memory in use. ENERGY: 557800 674.3615 1830.0133 1976.7167 103.8237 -0.0627 -1077.0596 0.0000 0.0000 2719.5694 6227.3624 300.3840 3507.7929 6256.9824 299.6566 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: 2262.61, 0.00391568/step Wall: 2262.61, 0.00391569/step, 2.1123 hours remaining, 111.945312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 558000 653.2333 1827.6843 1973.7146 109.4879 1.1053 -1101.1866 0.0000 0.0000 2695.9594 6159.9983 297.7762 3464.0388 6195.3944 298.9228 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: 2263.39, 0.00392078/step Wall: 2263.39, 0.00392078/step, 2.11483 hours remaining, 111.945312 MB of memory in use. ENERGY: 558200 653.3523 1818.6383 1951.5931 119.6698 1.3376 -1103.9238 0.0000 0.0000 2681.2667 6121.9340 296.1534 3440.6673 6157.9258 295.5642 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: 2264.18, 0.00391983/step Wall: 2264.18, 0.00391983/step, 2.11409 hours remaining, 111.945312 MB of memory in use. ENERGY: 558400 675.1680 1824.9511 1949.2233 89.5059 1.9662 -1131.6903 0.0000 0.0000 2734.9251 6144.0494 302.0801 3409.1243 6179.3868 295.9443 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: 2264.96, 0.00392002/step Wall: 2264.96, 0.00392002/step, 2.11398 hours remaining, 111.945312 MB of memory in use. ENERGY: 558600 628.6790 1847.1293 2004.3021 110.5859 0.1587 -1087.1273 0.0000 0.0000 2701.9660 6205.6937 298.4397 3503.7277 6239.5815 298.6410 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: 2265.74, 0.00392085/step Wall: 2265.74, 0.00392085/step, 2.11421 hours remaining, 111.945312 MB of memory in use. ENERGY: 558800 642.9573 1884.9317 1971.1525 105.3334 1.2448 -1099.7831 0.0000 0.0000 2746.7343 6252.5709 303.3845 3505.8366 6285.2908 301.4712 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: 2266.53, 0.00391543/step Wall: 2266.53, 0.00391543/step, 2.11107 hours remaining, 111.945312 MB of memory in use. ENERGY: 559000 684.4378 1800.9679 1964.3544 111.3053 0.5171 -1093.3817 0.0000 0.0000 2769.1197 6237.3204 305.8570 3468.2007 6271.3891 303.0498 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: 2267.31, 0.00391978/step Wall: 2267.31, 0.00391978/step, 2.1132 hours remaining, 111.945312 MB of memory in use. ENERGY: 559200 675.4232 1850.7736 1965.5204 108.5930 0.9702 -1087.7291 0.0000 0.0000 2715.5488 6229.1001 299.9399 3513.5512 6260.7142 301.9551 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: 2268.09, 0.00392099/step Wall: 2268.09, 0.00392099/step, 2.11363 hours remaining, 111.945312 MB of memory in use. ENERGY: 559400 689.9904 1840.5454 1966.0847 107.6821 1.5620 -1116.6411 0.0000 0.0000 2754.9844 6244.2079 304.2957 3489.2235 6279.8871 302.5390 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: 2268.88, 0.00392231/step Wall: 2268.88, 0.00392231/step, 2.11413 hours remaining, 111.945312 MB of memory in use. ENERGY: 559600 654.3548 1883.5640 1948.5075 113.8944 0.7080 -1123.1600 0.0000 0.0000 2742.2391 6220.1077 302.8879 3477.8686 6254.6865 300.3956 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: 2269.66, 0.00391502/step Wall: 2269.66, 0.00391502/step, 2.10998 hours remaining, 111.945312 MB of memory in use. ENERGY: 559800 649.4814 1880.3476 1988.6818 118.7151 1.1520 -1095.2929 0.0000 0.0000 2713.2902 6256.3753 299.6905 3543.0851 6290.8279 301.7351 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: 2270.45, 0.00392259/step Wall: 2270.45, 0.00392259/step, 2.11384 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 560000 655.5113 1864.0288 1969.5272 115.2649 0.3924 -1083.6273 0.0000 0.0000 2702.0419 6223.1392 298.4480 3521.0973 6255.0381 300.3005 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 560000 WRITING COORDINATES TO DCD FILE MD.1.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: 2280.48, 0.0501919/step Wall: 2280.48, 0.0501919/step, 27.0451 hours remaining, 112.082031 MB of memory in use. ENERGY: 560200 629.7173 1854.5726 1968.3491 100.1040 1.2927 -1097.0124 0.0000 0.0000 2731.3800 6188.4033 301.6885 3457.0233 6223.8239 300.3720 LDB: ============= START OF LOAD BALANCING ============== 2283.19 LDB: ============== END OF LOAD BALANCING =============== 2283.19 LDB: =============== DONE WITH MIGRATION ================ 2283.19 LDB: ============= START OF LOAD BALANCING ============== 2283.58 LDB: ============== END OF LOAD BALANCING =============== 2283.58 LDB: =============== DONE WITH MIGRATION ================ 2283.58 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: 2281.27, 0.00392542/step Wall: 2281.27, 0.00392542/step, 2.11493 hours remaining, 112.082031 MB of memory in use. ENERGY: 560400 629.3089 1819.4083 1959.4561 99.8421 0.0270 -1108.3526 0.0000 0.0000 2741.2783 6140.9681 302.7818 3399.6898 6178.5568 298.3571 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: 2282.05, 0.00392146/step Wall: 2282.05, 0.00392146/step, 2.11258 hours remaining, 112.082031 MB of memory in use. ENERGY: 560600 615.4747 1902.7271 1966.3912 106.5210 0.2948 -1079.4576 0.0000 0.0000 2677.3869 6189.3381 295.7248 3511.9513 6221.7293 297.6439 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: 2282.84, 0.00392221/step Wall: 2282.84, 0.00392221/step, 2.11276 hours remaining, 112.082031 MB of memory in use. ENERGY: 560800 649.8677 1831.1698 1967.3838 103.5833 0.1720 -1074.3216 0.0000 0.0000 2661.5089 6139.3640 293.9711 3477.8551 6169.7216 298.0431 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: 2283.62, 0.00391475/step Wall: 2283.62, 0.00391475/step, 2.10853 hours remaining, 112.082031 MB of memory in use. ENERGY: 561000 665.8822 1824.4220 1955.6388 103.3526 1.7667 -1103.8026 0.0000 0.0000 2703.0870 6150.3468 298.5635 3447.2598 6183.5397 296.4236 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: 2284.41, 0.00392087/step Wall: 2284.41, 0.00392087/step, 2.11161 hours remaining, 112.082031 MB of memory in use. ENERGY: 561200 649.9733 1849.5894 1927.8688 109.1500 0.3925 -1110.7650 0.0000 0.0000 2658.6786 6084.8877 293.6585 3426.2090 6117.1872 296.5386 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: 2285.19, 0.00391821/step Wall: 2285.19, 0.00391821/step, 2.10996 hours remaining, 112.082031 MB of memory in use. ENERGY: 561400 635.2978 1804.7935 1932.5569 103.0088 0.0792 -1070.9688 0.0000 0.0000 2651.2679 6056.0353 292.8399 3404.7674 6090.4436 292.6822 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: 2285.99, 0.00401238/step Wall: 2285.99, 0.00401238/step, 2.16044 hours remaining, 112.082031 MB of memory in use. ENERGY: 561600 646.6224 1801.1065 1944.6228 115.7680 2.0675 -1109.9728 0.0000 0.0000 2689.0952 6089.3096 297.0181 3400.2144 6124.1986 293.4372 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: 2286.78, 0.00391608/step Wall: 2286.78, 0.00391608/step, 2.10837 hours remaining, 112.082031 MB of memory in use. ENERGY: 561800 710.2134 1816.8552 1934.1916 100.3343 1.4553 -1107.5278 0.0000 0.0000 2693.1371 6148.6591 297.4645 3455.5221 6182.0443 295.4416 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: 2287.56, 0.00391633/step Wall: 2287.56, 0.00391633/step, 2.10829 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 562000 660.4510 1809.9908 1938.6195 113.9963 1.6710 -1090.5284 0.0000 0.0000 2746.1442 6180.3444 303.3193 3434.2002 6214.0389 296.5574 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: 2288.34, 0.00391587/step Wall: 2288.34, 0.00391587/step, 2.10783 hours remaining, 112.082031 MB of memory in use. ENERGY: 562200 620.4644 1810.2905 1970.9946 105.3354 -0.0922 -1062.7294 0.0000 0.0000 2733.1378 6177.4011 301.8827 3444.2633 6213.7812 296.3180 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: 2289.12, 0.00391444/step Wall: 2289.12, 0.00391444/step, 2.10684 hours remaining, 112.082031 MB of memory in use. ENERGY: 562400 648.6864 1872.9182 1974.9850 109.5403 0.9054 -1095.9330 0.0000 0.0000 2682.5338 6193.6362 296.2933 3511.1024 6226.3782 297.9809 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: 2289.91, 0.00391762/step Wall: 2289.91, 0.00391762/step, 2.10833 hours remaining, 112.082031 MB of memory in use. ENERGY: 562600 644.0263 1859.6511 1933.7271 115.0317 1.8829 -1064.2504 0.0000 0.0000 2694.5577 6184.6263 297.6214 3490.0686 6217.4020 298.9522 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: 2290.69, 0.00391615/step Wall: 2290.69, 0.00391615/step, 2.10732 hours remaining, 112.082031 MB of memory in use. ENERGY: 562800 655.7625 1850.9397 1954.8776 111.4283 0.4069 -1041.5518 0.0000 0.0000 2667.5290 6199.3923 294.6360 3531.8633 6230.7895 297.5084 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: 2291.47, 0.00391621/step Wall: 2291.47, 0.00391621/step, 2.10714 hours remaining, 112.082031 MB of memory in use. ENERGY: 563000 680.1534 1854.1322 1970.1342 107.1619 1.0270 -1039.1933 0.0000 0.0000 2674.8907 6248.3062 295.4491 3573.4155 6277.1417 299.4086 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: 2292.26, 0.00391737/step Wall: 2292.26, 0.00391737/step, 2.10755 hours remaining, 112.082031 MB of memory in use. ENERGY: 563200 691.1852 1867.9972 1918.1940 100.5092 2.0568 -1066.6557 0.0000 0.0000 2710.4146 6223.7013 299.3728 3513.2867 6258.8509 300.5254 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: 2293.04, 0.00391703/step Wall: 2293.04, 0.00391703/step, 2.10714 hours remaining, 112.082031 MB of memory in use. ENERGY: 563400 625.3115 1818.5693 1955.4809 120.1792 1.7501 -1032.5993 0.0000 0.0000 2788.9105 6277.6023 308.0429 3488.6918 6314.5626 300.5028 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: 2293.82, 0.00391737/step Wall: 2293.82, 0.00391737/step, 2.10711 hours remaining, 112.082031 MB of memory in use. ENERGY: 563600 670.0357 1853.0402 1959.4030 99.5081 1.7848 -1072.0270 0.0000 0.0000 2733.6811 6245.4259 301.9427 3511.7448 6279.2025 302.0661 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: 2294.61, 0.00391616/step Wall: 2294.61, 0.00391616/step, 2.10624 hours remaining, 112.082031 MB of memory in use. ENERGY: 563800 662.4250 1836.3560 1970.6289 104.9098 1.6303 -1063.1743 0.0000 0.0000 2718.2871 6231.0628 300.2424 3512.7757 6264.2702 300.7013 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: 2295.39, 0.00391734/step Wall: 2295.39, 0.00391733/step, 2.10665 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 564000 638.0564 1846.5362 1973.9693 98.4106 1.9830 -1057.4381 0.0000 0.0000 2757.5249 6259.0421 304.5763 3501.5173 6292.0167 301.5734 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: 2296.17, 0.0039165/step Wall: 2296.17, 0.0039165/step, 2.10599 hours remaining, 112.082031 MB of memory in use. ENERGY: 564200 650.6555 1792.6153 1996.2090 105.9749 1.2910 -1060.3434 0.0000 0.0000 2717.3965 6203.7988 300.1440 3486.4023 6239.0639 298.6290 LDB: ============= START OF LOAD BALANCING ============== 2298.88 LDB: ============== END OF LOAD BALANCING =============== 2298.88 LDB: =============== DONE WITH MIGRATION ================ 2298.88 LDB: ============= START OF LOAD BALANCING ============== 2299.27 LDB: ============== END OF LOAD BALANCING =============== 2299.27 LDB: =============== DONE WITH MIGRATION ================ 2299.27 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: 2296.96, 0.00392163/step Wall: 2296.96, 0.00392163/step, 2.10853 hours remaining, 112.082031 MB of memory in use. ENERGY: 564400 682.3828 1833.4030 1994.1490 113.6127 1.7010 -1136.3633 0.0000 0.0000 2691.1176 6180.0028 297.2414 3488.8852 6212.3435 298.7063 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: 2297.74, 0.0039158/step Wall: 2297.74, 0.0039158/step, 2.10518 hours remaining, 112.082031 MB of memory in use. ENERGY: 564600 635.3358 1794.0232 1978.2003 109.9228 1.0118 -1119.5570 0.0000 0.0000 2716.8644 6115.8015 300.0852 3398.9371 6149.5702 296.1231 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: 2298.53, 0.00391695/step Wall: 2298.53, 0.00391695/step, 2.10558 hours remaining, 112.082031 MB of memory in use. ENERGY: 564800 685.0146 1797.7648 1974.0935 106.3062 1.1540 -1113.8220 0.0000 0.0000 2668.7190 6119.2301 294.7675 3450.5110 6150.3235 295.3449 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: 2299.31, 0.00391384/step Wall: 2299.31, 0.00391384/step, 2.10369 hours remaining, 112.082031 MB of memory in use. ENERGY: 565000 648.4993 1843.9092 1952.2830 112.7788 2.4181 -1117.9414 0.0000 0.0000 2717.9259 6159.8728 300.2025 3441.9469 6197.1101 297.0303 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: 2300.09, 0.00391636/step Wall: 2300.09, 0.00391636/step, 2.10482 hours remaining, 112.082031 MB of memory in use. ENERGY: 565200 634.0181 1826.6608 1976.1174 111.2743 0.4390 -1071.3180 0.0000 0.0000 2697.0379 6174.2295 297.8954 3477.1916 6208.5865 297.6055 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: 2300.87, 0.00391514/step Wall: 2300.87, 0.00391514/step, 2.10395 hours remaining, 112.082031 MB of memory in use. ENERGY: 565400 641.5043 1782.6365 1960.8928 115.1125 2.1418 -1057.0868 0.0000 0.0000 2681.3075 6126.5086 296.1579 3445.2011 6163.2579 296.3404 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: 2301.66, 0.00391374/step Wall: 2301.66, 0.00391374/step, 2.10298 hours remaining, 112.082031 MB of memory in use. ENERGY: 565600 652.4447 1786.4687 1946.5141 100.0481 1.5072 -1069.0510 0.0000 0.0000 2660.2119 6078.1437 293.8278 3417.9318 6109.8204 293.2400 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: 2302.44, 0.00391741/step Wall: 2302.44, 0.00391741/step, 2.10474 hours remaining, 112.082031 MB of memory in use. ENERGY: 565800 636.7484 1783.9187 1961.2231 106.9556 2.3624 -1129.3268 0.0000 0.0000 2727.7279 6089.6092 301.2851 3361.8813 6123.3657 294.6321 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: 2303.22, 0.00391423/step Wall: 2303.22, 0.00391423/step, 2.10281 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 566000 653.4359 1812.9933 1951.5684 89.0765 0.2551 -1064.3468 0.0000 0.0000 2696.3161 6139.2986 297.8156 3442.9825 6176.1587 295.7548 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: 2304.01, 0.00391892/step Wall: 2304.01, 0.00391891/step, 2.10511 hours remaining, 112.082031 MB of memory in use. ENERGY: 566200 656.3316 1834.6261 1961.0383 112.6970 1.5677 -1106.2200 0.0000 0.0000 2687.7493 6147.7899 296.8694 3460.0406 6176.4954 295.5968 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: 2304.79, 0.00391759/step Wall: 2304.79, 0.0039176/step, 2.10418 hours remaining, 112.082031 MB of memory in use. ENERGY: 566400 626.5639 1834.2850 1951.6970 113.0821 1.4720 -1085.8142 0.0000 0.0000 2636.3664 6077.6522 291.1940 3441.2858 6109.6355 295.9225 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: 2305.57, 0.00391693/step Wall: 2305.57, 0.00391693/step, 2.10361 hours remaining, 112.082031 MB of memory in use. ENERGY: 566600 602.3080 1791.3860 1943.1903 108.1874 0.9956 -1073.1273 0.0000 0.0000 2757.7257 6130.6657 304.5985 3372.9400 6167.5176 294.3462 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: 2306.36, 0.00391883/step Wall: 2306.36, 0.00391883/step, 2.10441 hours remaining, 112.082031 MB of memory in use. ENERGY: 566800 660.8843 1833.1843 1999.9182 101.7250 2.9773 -1112.7302 0.0000 0.0000 2651.4642 6137.4232 292.8616 3485.9589 6167.1643 296.1519 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: 2307.14, 0.00391654/step Wall: 2307.14, 0.00391654/step, 2.10296 hours remaining, 112.082031 MB of memory in use. ENERGY: 567000 627.8349 1817.3001 1998.5124 102.5928 1.1578 -1130.1224 0.0000 0.0000 2685.5612 6102.8368 296.6277 3417.2756 6137.3829 294.2396 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: 2307.93, 0.00391742/step Wall: 2307.93, 0.00391742/step, 2.10322 hours remaining, 112.082031 MB of memory in use. ENERGY: 567200 671.2518 1838.9859 1972.2226 105.1907 -0.1149 -1098.7243 0.0000 0.0000 2686.6928 6175.5046 296.7527 3488.8118 6208.1842 296.9716 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: 2308.71, 0.0039157/step Wall: 2308.71, 0.0039157/step, 2.10208 hours remaining, 112.082031 MB of memory in use. ENERGY: 567400 678.0083 1822.7805 2008.5734 104.8678 1.3459 -1095.7114 0.0000 0.0000 2705.8677 6225.7323 298.8706 3519.8646 6256.0002 299.3728 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: 2309.49, 0.00391622/step Wall: 2309.49, 0.00391622/step, 2.10214 hours remaining, 112.082031 MB of memory in use. ENERGY: 567600 679.7959 1836.4623 1986.2365 107.8308 0.5109 -1095.3476 0.0000 0.0000 2734.0494 6249.5382 301.9834 3515.4888 6282.7306 300.9239 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: 2310.27, 0.00391685/step Wall: 2310.27, 0.00391684/step, 2.10226 hours remaining, 112.082031 MB of memory in use. ENERGY: 567800 690.5325 1845.8164 1982.9998 105.8646 0.1446 -1112.8669 0.0000 0.0000 2731.1602 6243.6512 301.6643 3512.4910 6276.2255 303.7723 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: 2311.06, 0.00391566/step Wall: 2311.06, 0.00391567/step, 2.10141 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 568000 659.6721 1908.7867 2022.1793 116.6801 -0.7040 -1095.0963 0.0000 0.0000 2673.0139 6284.5317 295.2418 3611.5178 6315.9737 302.2508 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: 2311.84, 0.00391751/step Wall: 2311.84, 0.00391751/step, 2.10218 hours remaining, 112.082031 MB of memory in use. ENERGY: 568200 665.4010 1848.8213 1969.7097 104.7914 -0.3062 -1087.3560 0.0000 0.0000 2688.1265 6189.1877 296.9111 3501.0612 6222.4435 301.5714 LDB: ============= START OF LOAD BALANCING ============== 2314.54 LDB: ============== END OF LOAD BALANCING =============== 2314.54 LDB: =============== DONE WITH MIGRATION ================ 2314.54 LDB: ============= START OF LOAD BALANCING ============== 2314.93 LDB: ============== END OF LOAD BALANCING =============== 2314.93 LDB: =============== DONE WITH MIGRATION ================ 2314.93 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: 2312.63, 0.00392023/step Wall: 2312.63, 0.00392023/step, 2.10342 hours remaining, 112.082031 MB of memory in use. ENERGY: 568400 687.3634 1819.4587 1968.9622 105.7979 0.3349 -1059.5989 0.0000 0.0000 2694.2272 6216.5454 297.5849 3522.3183 6246.8256 299.9111 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: 2313.41, 0.00391611/step Wall: 2313.41, 0.00391611/step, 2.101 hours remaining, 112.082031 MB of memory in use. ENERGY: 568600 641.6486 1864.2540 1961.0542 99.8507 0.5714 -1058.8626 0.0000 0.0000 2683.7550 6192.2712 296.4282 3508.5162 6224.2089 299.0984 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: 2314.19, 0.00391591/step Wall: 2314.19, 0.00391591/step, 2.10067 hours remaining, 112.082031 MB of memory in use. ENERGY: 568800 660.3398 1848.4887 1990.4823 114.9331 1.5082 -1124.9810 0.0000 0.0000 2699.7586 6190.5296 298.1959 3490.7710 6226.1586 299.6238 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: 2314.98, 0.00391855/step Wall: 2314.98, 0.00391855/step, 2.10187 hours remaining, 112.082031 MB of memory in use. ENERGY: 569000 649.7719 1851.9414 1976.4806 105.4758 2.8238 -1120.8037 0.0000 0.0000 2728.7720 6194.4618 301.4005 3465.6898 6228.1767 299.7088 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: 2315.76, 0.00391807/step Wall: 2315.76, 0.00391807/step, 2.10139 hours remaining, 112.082031 MB of memory in use. ENERGY: 569200 683.3216 1853.7331 1972.5175 107.7534 0.6866 -1086.9890 0.0000 0.0000 2722.3452 6253.3684 300.6906 3531.0231 6284.5048 300.4954 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: 2316.54, 0.00391699/step Wall: 2316.54, 0.00391699/step, 2.1006 hours remaining, 112.082031 MB of memory in use. ENERGY: 569400 678.9208 1863.2640 1974.1132 107.0807 0.4740 -1126.5910 0.0000 0.0000 2781.2131 6278.4747 307.1927 3497.2616 6311.7760 304.0261 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: 2317.33, 0.00392573/step Wall: 2317.33, 0.00392573/step, 2.10507 hours remaining, 112.082031 MB of memory in use. ENERGY: 569600 647.5842 1793.7087 1990.7248 123.0155 -0.9742 -1053.0650 0.0000 0.0000 2796.1159 6297.1099 308.8388 3500.9940 6332.2802 304.3466 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: 2318.11, 0.00391735/step Wall: 2318.11, 0.00391735/step, 2.10035 hours remaining, 112.082031 MB of memory in use. ENERGY: 569800 664.9169 1853.5763 1984.3733 115.2462 0.0771 -1111.2896 0.0000 0.0000 2788.6590 6295.5592 308.0152 3506.9002 6329.8511 304.7048 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: 2318.89, 0.00391782/step Wall: 2318.89, 0.00391782/step, 2.10038 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 570000 669.7098 1828.8770 1971.0724 124.5610 -0.2941 -1071.8665 0.0000 0.0000 2717.5932 6239.6527 300.1657 3522.0595 6272.2823 304.1866 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 570000 WRITING COORDINATES TO DCD FILE MD.1.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: 2329.22, 0.0516272/step Wall: 2329.22, 0.0516272/step, 27.6751 hours remaining, 112.082031 MB of memory in use. ENERGY: 570200 677.6916 1796.5311 1970.2962 95.0036 1.0165 -1074.4234 0.0000 0.0000 2682.3278 6148.4433 296.2706 3466.1155 6181.3527 299.9139 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: 2330.01, 0.00393067/step Wall: 2330.01, 0.00393067/step, 2.10684 hours remaining, 112.082031 MB of memory in use. ENERGY: 570400 660.8497 1815.7579 1969.7828 98.3404 1.6976 -1093.0426 0.0000 0.0000 2733.0467 6186.4325 301.8726 3453.3858 6217.3541 297.5565 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: 2330.79, 0.0039177/step Wall: 2330.79, 0.0039177/step, 2.09967 hours remaining, 112.082031 MB of memory in use. ENERGY: 570600 622.7629 1848.9764 1932.9586 123.5541 3.0439 -1050.8748 0.0000 0.0000 2734.6778 6215.0988 302.0528 3480.4210 6249.7528 301.7591 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: 2331.57, 0.00392278/step Wall: 2331.57, 0.00392278/step, 2.10217 hours remaining, 112.082031 MB of memory in use. ENERGY: 570800 698.6874 1800.8496 1952.2751 102.4991 1.9828 -1073.9837 0.0000 0.0000 2756.1758 6238.4860 304.4273 3482.3102 6270.8576 301.8635 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: 2332.36, 0.00392241/step Wall: 2332.36, 0.0039224/step, 2.10175 hours remaining, 112.082031 MB of memory in use. ENERGY: 571000 644.5491 1845.7057 1973.9544 105.1652 0.6479 -1066.0287 0.0000 0.0000 2743.0912 6247.0848 302.9821 3503.9936 6279.2695 303.4026 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: 2333.14, 0.00392278/step Wall: 2333.14, 0.00392278/step, 2.10174 hours remaining, 112.082031 MB of memory in use. ENERGY: 571200 682.8253 1853.0273 1980.3854 105.9205 -0.4575 -1084.1846 0.0000 0.0000 2737.9770 6275.4935 302.4172 3537.5164 6306.1594 303.4709 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: 2333.93, 0.00392467/step Wall: 2333.93, 0.00392467/step, 2.10253 hours remaining, 112.082031 MB of memory in use. ENERGY: 571400 650.3304 1854.3522 2008.2929 111.8227 0.5727 -1056.9937 0.0000 0.0000 2741.4229 6309.8001 302.7978 3568.3773 6344.5783 303.2185 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: 2334.71, 0.00391521/step Wall: 2334.71, 0.00391521/step, 2.09725 hours remaining, 112.082031 MB of memory in use. ENERGY: 571600 643.8065 1882.1476 1961.6903 110.2522 0.8287 -1065.6084 0.0000 0.0000 2796.3840 6329.5010 308.8684 3533.1169 6361.5121 303.8749 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: 2335.5, 0.00392262/step Wall: 2335.5, 0.00392262/step, 2.101 hours remaining, 112.082031 MB of memory in use. ENERGY: 571800 675.6773 1931.6678 1972.0449 108.6986 0.9280 -1127.1077 0.0000 0.0000 2749.4931 6311.4019 303.6892 3561.9088 6343.3156 305.5037 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: 2336.28, 0.00392182/step Wall: 2336.28, 0.00392182/step, 2.10035 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 572000 653.7282 1886.3693 1987.6206 104.2770 2.3177 -1076.2524 0.0000 0.0000 2736.8335 6294.8938 302.2909 3558.0604 6328.2405 305.6026 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: 2337.06, 0.00392187/step Wall: 2337.06, 0.00392187/step, 2.10016 hours remaining, 112.082031 MB of memory in use. ENERGY: 572200 650.0271 1822.5503 1981.4095 107.9643 2.0680 -1117.4012 0.0000 0.0000 2733.1218 6179.7398 301.8809 3446.6180 6213.0727 302.7170 LDB: ============= START OF LOAD BALANCING ============== 2339.77 LDB: ============== END OF LOAD BALANCING =============== 2339.77 LDB: =============== DONE WITH MIGRATION ================ 2339.77 LDB: ============= START OF LOAD BALANCING ============== 2340.16 LDB: ============== END OF LOAD BALANCING =============== 2340.16 LDB: =============== DONE WITH MIGRATION ================ 2340.16 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: 2337.85, 0.00392473/step Wall: 2337.85, 0.00392473/step, 2.10147 hours remaining, 112.082031 MB of memory in use. ENERGY: 572400 668.2460 1852.7005 1976.7708 116.9679 0.4377 -1085.4455 0.0000 0.0000 2737.4631 6267.1404 302.3604 3529.6773 6298.5431 300.6623 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: 2338.63, 0.00391725/step Wall: 2338.63, 0.00391726/step, 2.09726 hours remaining, 112.082031 MB of memory in use. ENERGY: 572600 677.0203 1834.7672 1948.2838 107.3741 0.8493 -1027.5808 0.0000 0.0000 2733.2720 6273.9859 301.8975 3540.7139 6308.0546 302.5844 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: 2339.42, 0.00392258/step Wall: 2339.42, 0.00392257/step, 2.09988 hours remaining, 112.082031 MB of memory in use. ENERGY: 572800 709.5336 1836.3332 1969.5986 109.2082 2.0593 -1068.0550 0.0000 0.0000 2718.6115 6277.2894 300.2782 3558.6779 6309.8286 303.5101 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: 2340.2, 0.0039213/step Wall: 2340.2, 0.0039213/step, 2.09899 hours remaining, 112.082031 MB of memory in use. ENERGY: 573000 651.6288 1883.2110 1991.1422 102.3581 1.2890 -1075.6470 0.0000 0.0000 2721.5828 6275.5651 300.6064 3553.9822 6309.7701 302.8809 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: 2340.99, 0.00392217/step Wall: 2340.99, 0.00392216/step, 2.09923 hours remaining, 112.082031 MB of memory in use. ENERGY: 573200 644.6377 1818.9971 1955.0134 107.3935 2.7821 -1054.1797 0.0000 0.0000 2799.3472 6273.9913 309.1957 3474.6442 6311.1377 302.1581 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: 2341.77, 0.00391393/step Wall: 2341.77, 0.00391394/step, 2.09461 hours remaining, 112.082031 MB of memory in use. ENERGY: 573400 661.2690 1879.4919 1973.6599 107.5766 1.2798 -1121.9200 0.0000 0.0000 2717.9571 6219.3143 300.2059 3501.3572 6252.4879 303.2920 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: 2342.55, 0.00392264/step Wall: 2342.55, 0.00392264/step, 2.09905 hours remaining, 112.082031 MB of memory in use. ENERGY: 573600 655.9914 1898.6994 1980.3107 103.4124 1.5654 -1101.8119 0.0000 0.0000 2636.2401 6174.4076 291.1801 3538.1674 6207.8704 300.4887 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: 2343.34, 0.00392148/step Wall: 2343.34, 0.00392148/step, 2.09821 hours remaining, 112.082031 MB of memory in use. ENERGY: 573800 643.9923 1828.9391 1938.4327 103.8077 2.2589 -1108.1868 0.0000 0.0000 2734.9002 6144.1441 302.0773 3409.2439 6178.4388 297.1995 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: 2344.12, 0.00392269/step Wall: 2344.12, 0.00392269/step, 2.09864 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 574000 654.1564 1841.3500 1943.8558 105.6700 1.3087 -1083.4589 0.0000 0.0000 2728.7264 6191.6083 301.3954 3462.8819 6224.8087 298.1473 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: 2344.91, 0.00392102/step Wall: 2344.91, 0.00392102/step, 2.09753 hours remaining, 112.082031 MB of memory in use. ENERGY: 574200 635.1936 1851.4585 1977.8256 101.7903 0.7703 -1103.4086 0.0000 0.0000 2708.9007 6172.5304 299.2056 3463.6297 6205.2830 298.6351 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: 2345.69, 0.00391849/step Wall: 2345.69, 0.00391849/step, 2.09596 hours remaining, 112.082031 MB of memory in use. ENERGY: 574400 638.2394 1837.4199 1981.7276 103.9990 1.8132 -1107.8929 0.0000 0.0000 2687.2486 6142.5547 296.8141 3455.3061 6177.1070 297.8981 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: 2346.48, 0.00392383/step Wall: 2346.48, 0.00392383/step, 2.09859 hours remaining, 112.082031 MB of memory in use. ENERGY: 574600 656.2112 1845.8760 1957.2425 102.7926 1.5245 -1106.0031 0.0000 0.0000 2676.1539 6133.7976 295.5887 3457.6437 6163.9395 295.5806 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: 2347.26, 0.0039225/step Wall: 2347.26, 0.0039225/step, 2.09766 hours remaining, 112.082031 MB of memory in use. ENERGY: 574800 639.2095 1851.9088 1955.7206 99.4843 0.7071 -1084.5818 0.0000 0.0000 2700.7943 6163.2427 298.3103 3462.4484 6196.5301 296.9994 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: 2348.04, 0.00391993/step Wall: 2348.04, 0.00391993/step, 2.09608 hours remaining, 112.082031 MB of memory in use. ENERGY: 575000 683.5186 1851.1928 1985.8539 107.4017 0.7323 -1105.2703 0.0000 0.0000 2652.5697 6175.9987 292.9837 3523.4290 6205.1744 296.3371 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: 2355.84, 0.0389587/step Wall: 2355.84, 0.0389587/step, 20.8299 hours remaining, 112.082031 MB of memory in use. ENERGY: 575200 650.2448 1851.3574 1976.0568 104.9072 0.1526 -1080.5608 0.0000 0.0000 2694.3924 6196.5504 297.6031 3502.1580 6227.2743 298.8153 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: 2356.64, 0.00403412/step Wall: 2356.64, 0.00403412/step, 2.15668 hours remaining, 112.082031 MB of memory in use. ENERGY: 575400 662.9050 1818.6326 1980.1892 93.9602 -0.3824 -1085.6135 0.0000 0.0000 2677.5428 6147.2338 295.7421 3469.6910 6183.2161 297.1039 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: 2357.43, 0.00392976/step Wall: 2357.43, 0.00392976/step, 2.10067 hours remaining, 112.082031 MB of memory in use. ENERGY: 575600 641.6760 1783.2786 1968.6222 111.2103 -0.1878 -1111.8076 0.0000 0.0000 2719.0838 6111.8756 300.3304 3392.7918 6144.6331 296.0592 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: 2358.21, 0.003916/step Wall: 2358.21, 0.003916/step, 2.0931 hours remaining, 112.082031 MB of memory in use. ENERGY: 575800 691.1397 1806.0819 1972.7698 94.9462 0.4721 -1107.7320 0.0000 0.0000 2675.3303 6133.0081 295.4977 3457.6778 6164.5960 296.6017 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: 2358.99, 0.00391756/step Wall: 2358.99, 0.00391756/step, 2.09372 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 576000 655.6893 1864.9012 1939.0241 98.1968 0.5975 -1096.9434 0.0000 0.0000 2674.0420 6135.5075 295.3554 3461.4655 6168.3105 296.2089 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: 2359.78, 0.00391404/step Wall: 2359.78, 0.00391404/step, 2.09162 hours remaining, 112.082031 MB of memory in use. ENERGY: 576200 643.2900 1816.3421 1953.8997 110.5944 1.7009 -1065.0585 0.0000 0.0000 2679.1237 6139.8923 295.9167 3460.7687 6172.1413 296.9916 LDB: ============= START OF LOAD BALANCING ============== 2362.48 LDB: ============== END OF LOAD BALANCING =============== 2362.48 LDB: =============== DONE WITH MIGRATION ================ 2362.48 LDB: ============= START OF LOAD BALANCING ============== 2362.87 LDB: ============== END OF LOAD BALANCING =============== 2362.87 LDB: =============== DONE WITH MIGRATION ================ 2362.87 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: 2360.56, 0.00392274/step Wall: 2360.56, 0.00392274/step, 2.09605 hours remaining, 112.082031 MB of memory in use. ENERGY: 576400 669.5152 1858.8958 1939.1859 103.3039 -0.4597 -1053.8853 0.0000 0.0000 2681.0478 6197.6036 296.1292 3516.5557 6229.5689 295.9639 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: 2361.35, 0.00391704/step Wall: 2361.35, 0.00391704/step, 2.09279 hours remaining, 112.082031 MB of memory in use. ENERGY: 576600 658.6857 1795.2896 1982.4073 107.9666 1.0100 -1068.2406 0.0000 0.0000 2773.8312 6250.9499 306.3774 3477.1188 6285.0346 300.4700 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: 2362.13, 0.00391623/step Wall: 2362.13, 0.00391623/step, 2.09214 hours remaining, 112.082031 MB of memory in use. ENERGY: 576800 655.1638 1822.8252 1973.1894 118.0982 0.6352 -1056.1951 0.0000 0.0000 2696.6059 6210.3225 297.8476 3513.7166 6241.8355 300.7458 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: 2362.91, 0.00391773/step Wall: 2362.91, 0.00391773/step, 2.09272 hours remaining, 112.082031 MB of memory in use. ENERGY: 577000 674.0851 1863.0549 1966.8701 108.4941 1.8076 -1104.6156 0.0000 0.0000 2676.2638 6185.9600 295.6008 3509.6962 6217.1870 299.6386 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: 2363.7, 0.00391526/step Wall: 2363.7, 0.00391526/step, 2.09118 hours remaining, 112.082031 MB of memory in use. ENERGY: 577200 610.7064 1843.9854 1967.1310 103.3316 0.5292 -1072.9689 0.0000 0.0000 2717.5667 6170.2813 300.1628 3452.7146 6203.9799 297.5092 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: 2364.48, 0.00391944/step Wall: 2364.48, 0.00391944/step, 2.0932 hours remaining, 112.082031 MB of memory in use. ENERGY: 577400 640.7508 1840.2065 1970.4417 104.4072 1.2622 -1107.1772 0.0000 0.0000 2777.4303 6227.3215 306.7749 3449.8912 6265.4706 300.5093 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: 2365.26, 0.00391755/step Wall: 2365.26, 0.00391755/step, 2.09197 hours remaining, 112.082031 MB of memory in use. ENERGY: 577600 640.3179 1872.8892 2014.6905 100.8147 1.6646 -1103.1219 0.0000 0.0000 2760.2477 6287.5026 304.8770 3527.2550 6320.3965 302.9360 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: 2366.05, 0.00391788/step Wall: 2366.05, 0.00391788/step, 2.09193 hours remaining, 112.082031 MB of memory in use. ENERGY: 577800 641.0192 1882.7237 1972.6622 111.8278 0.5850 -1097.0654 0.0000 0.0000 2710.4427 6222.1952 299.3759 3511.7525 6253.7981 302.0103 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: 2366.83, 0.00391463/step Wall: 2366.83, 0.00391463/step, 2.08998 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 578000 639.6500 1853.1396 1994.2580 105.5584 1.3392 -1060.7001 0.0000 0.0000 2661.2437 6194.4888 293.9418 3533.2451 6229.5616 299.1503 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: 2367.61, 0.00391752/step Wall: 2367.61, 0.00391752/step, 2.0913 hours remaining, 112.082031 MB of memory in use. ENERGY: 578200 653.7942 1864.0880 1962.8925 92.0643 0.9485 -1136.6634 0.0000 0.0000 2695.0618 6132.1859 297.6771 3437.1241 6165.6043 297.6448 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: 2368.4, 0.00391986/step Wall: 2368.4, 0.00391986/step, 2.09233 hours remaining, 112.082031 MB of memory in use. ENERGY: 578400 668.4875 1812.7458 1956.2619 99.2664 1.5406 -1117.2902 0.0000 0.0000 2669.9378 6090.9496 294.9021 3421.0119 6126.5569 294.7164 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: 2369.18, 0.00391776/step Wall: 2369.18, 0.00391776/step, 2.091 hours remaining, 112.082031 MB of memory in use. ENERGY: 578600 643.1343 1848.7086 1970.4592 97.6686 2.9085 -1099.7298 0.0000 0.0000 2635.1202 6098.2696 291.0564 3463.1494 6128.0224 294.0925 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: 2369.96, 0.00391808/step Wall: 2369.96, 0.00391808/step, 2.09095 hours remaining, 112.082031 MB of memory in use. ENERGY: 578800 651.1905 1858.6914 1927.1226 94.7738 2.2105 -1115.7495 0.0000 0.0000 2735.1580 6153.3973 302.1058 3418.2393 6186.6372 297.0289 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: 2370.75, 0.00391647/step Wall: 2370.75, 0.00391647/step, 2.08987 hours remaining, 112.082031 MB of memory in use. ENERGY: 579000 655.6184 1854.0516 1963.3036 117.1222 2.8944 -1121.7384 0.0000 0.0000 2627.6573 6098.9091 290.2321 3471.2518 6132.7446 295.5392 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: 2371.53, 0.00391777/step Wall: 2371.53, 0.00391777/step, 2.09035 hours remaining, 112.082031 MB of memory in use. ENERGY: 579200 626.8782 1842.1463 2000.2056 112.2313 2.0751 -1106.5570 0.0000 0.0000 2647.2450 6124.2246 292.3956 3476.9796 6157.6192 295.5431 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: 2372.31, 0.00391698/step Wall: 2372.31, 0.00391698/step, 2.08971 hours remaining, 112.082031 MB of memory in use. ENERGY: 579400 660.8266 1853.8485 1967.2873 99.9248 1.0578 -1112.1673 0.0000 0.0000 2672.8815 6143.6591 295.2272 3470.7776 6176.9526 296.0029 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: 2373.1, 0.00391931/step Wall: 2373.1, 0.00391931/step, 2.09073 hours remaining, 112.082031 MB of memory in use. ENERGY: 579600 654.6269 1850.8202 1995.1199 103.9655 0.3107 -1108.6873 0.0000 0.0000 2687.1065 6183.2624 296.7984 3496.1559 6216.4507 297.6260 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: 2373.88, 0.00391507/step Wall: 2373.88, 0.00391506/step, 2.08825 hours remaining, 112.082031 MB of memory in use. ENERGY: 579800 659.5585 1834.0128 1969.2732 108.9467 0.5553 -1088.2665 0.0000 0.0000 2717.4928 6201.5729 300.1547 3484.0801 6234.6538 299.4220 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: 2374.67, 0.00392411/step Wall: 2374.67, 0.00392411/step, 2.09286 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 580000 647.2244 1840.5771 1981.0640 121.1571 1.0966 -1129.5121 0.0000 0.0000 2682.1161 6143.7232 296.2472 3461.6071 6174.4937 298.4868 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 580000 WRITING COORDINATES TO DCD FILE MD.1.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: 2375.51, 0.00419528/step Wall: 2375.51, 0.00419528/step, 2.23725 hours remaining, 112.082031 MB of memory in use. ENERGY: 580200 642.5929 1850.2144 1931.0850 126.8295 2.2071 -1104.1493 0.0000 0.0000 2729.5177 6178.2973 301.4828 3448.7796 6215.0010 297.6296 LDB: ============= START OF LOAD BALANCING ============== 2378.21 LDB: ============== END OF LOAD BALANCING =============== 2378.21 LDB: =============== DONE WITH MIGRATION ================ 2378.21 LDB: ============= START OF LOAD BALANCING ============== 2378.6 LDB: ============== END OF LOAD BALANCING =============== 2378.6 LDB: =============== DONE WITH MIGRATION ================ 2378.6 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: 2376.29, 0.00392742/step Wall: 2376.29, 0.00392742/step, 2.09419 hours remaining, 112.082031 MB of memory in use. ENERGY: 580400 649.4234 1780.6864 1987.3692 120.9864 1.5597 -1092.3049 0.0000 0.0000 2700.8901 6148.6104 298.3208 3447.7202 6181.0501 298.8011 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: 2377.08, 0.00392372/step Wall: 2377.08, 0.00392372/step, 2.09199 hours remaining, 112.082031 MB of memory in use. ENERGY: 580600 633.0183 1809.4800 1967.5234 109.4921 2.2282 -1095.1083 0.0000 0.0000 2731.3252 6157.9589 301.6825 3426.6337 6195.5186 297.7660 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: 2377.86, 0.00391792/step Wall: 2377.86, 0.00391792/step, 2.08869 hours remaining, 112.082031 MB of memory in use. ENERGY: 580800 662.2707 1810.9528 1952.9850 115.1953 2.1516 -1085.7171 0.0000 0.0000 2746.5814 6204.4199 303.3676 3457.8384 6239.3085 299.8508 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: 2378.64, 0.00392167/step Wall: 2378.64, 0.00392167/step, 2.09047 hours remaining, 112.082031 MB of memory in use. ENERGY: 581000 679.7393 1864.0237 1943.2387 97.1012 1.8087 -1084.5761 0.0000 0.0000 2711.4129 6212.7484 299.4831 3501.3355 6244.0479 300.5730 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: 2379.43, 0.00392125/step Wall: 2379.43, 0.00392125/step, 2.09003 hours remaining, 112.082031 MB of memory in use. ENERGY: 581200 632.2030 1883.7058 1937.1554 107.9591 1.4417 -1054.6434 0.0000 0.0000 2709.6278 6217.4494 299.2859 3507.8216 6252.0866 300.9694 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: 2380.21, 0.00392061/step Wall: 2380.21, 0.00392061/step, 2.08947 hours remaining, 112.082031 MB of memory in use. ENERGY: 581400 660.6519 1889.1938 1954.8259 121.7650 1.0009 -1114.6080 0.0000 0.0000 2689.1251 6201.9545 297.0214 3512.8294 6233.7635 300.6475 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: 2381, 0.00391924/step Wall: 2381, 0.00391924/step, 2.08852 hours remaining, 112.082031 MB of memory in use. ENERGY: 581600 684.0541 1847.9309 1971.3700 113.9334 0.5287 -1109.3200 0.0000 0.0000 2715.0070 6223.5041 299.8801 3508.4971 6256.0077 301.0704 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: 2381.78, 0.00391355/step Wall: 2381.78, 0.00391355/step, 2.08527 hours remaining, 112.082031 MB of memory in use. ENERGY: 581800 681.4017 1828.1839 1965.5636 109.7083 1.3382 -1096.5464 0.0000 0.0000 2752.4332 6242.0826 304.0139 3489.6494 6277.8036 302.7802 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: 2382.56, 0.00392065/step Wall: 2382.56, 0.00392065/step, 2.08884 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 582000 670.0198 1857.7587 1973.7513 104.8956 1.7823 -1084.9755 0.0000 0.0000 2752.4058 6275.6379 304.0109 3523.2322 6307.5891 301.4048 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: 2383.35, 0.00392028/step Wall: 2383.35, 0.00392028/step, 2.08842 hours remaining, 112.082031 MB of memory in use. ENERGY: 582200 651.1137 1799.4315 1961.3195 125.6151 1.6108 -1055.4767 0.0000 0.0000 2768.3988 6252.0128 305.7774 3483.6140 6287.1461 303.8783 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: 2384.13, 0.00391845/step Wall: 2384.13, 0.00391845/step, 2.08723 hours remaining, 112.082031 MB of memory in use. ENERGY: 582400 643.8023 1827.6770 1986.1992 102.8971 0.9642 -1072.7219 0.0000 0.0000 2705.0050 6193.8229 298.7753 3488.8179 6228.8891 299.9728 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: 2384.91, 0.0039158/step Wall: 2384.91, 0.0039158/step, 2.0856 hours remaining, 112.082031 MB of memory in use. ENERGY: 582600 614.8622 1827.2914 1958.1043 104.3675 1.8479 -1113.7865 0.0000 0.0000 2752.7918 6145.4787 304.0535 3392.6868 6181.6822 298.1388 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: 2385.7, 0.00392145/step Wall: 2385.7, 0.00392145/step, 2.08839 hours remaining, 112.082031 MB of memory in use. ENERGY: 582800 617.5955 1878.9142 1958.4147 112.8036 0.9701 -1100.4789 0.0000 0.0000 2672.8838 6141.1030 295.2275 3468.2193 6172.3611 296.3709 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: 2386.48, 0.00392436/step Wall: 2386.48, 0.00392436/step, 2.08972 hours remaining, 112.082031 MB of memory in use. ENERGY: 583000 711.8660 1879.3204 1948.3333 97.1673 1.6217 -1163.7642 0.0000 0.0000 2686.6564 6161.2010 296.7487 3474.5446 6191.9443 297.9782 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: 2387.27, 0.00392249/step Wall: 2387.27, 0.00392249/step, 2.08851 hours remaining, 112.082031 MB of memory in use. ENERGY: 583200 653.7114 1853.6230 1945.7132 108.2556 0.4820 -1075.8516 0.0000 0.0000 2706.5094 6192.4430 298.9415 3485.9336 6225.5631 300.6106 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: 2388.05, 0.00393191/step Wall: 2388.05, 0.00393191/step, 2.09331 hours remaining, 112.082031 MB of memory in use. ENERGY: 583400 665.5486 1844.6385 1936.1191 109.2420 1.7930 -1079.8634 0.0000 0.0000 2726.8330 6204.3108 301.1863 3477.4778 6239.6548 300.5561 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: 2388.84, 0.00391688/step Wall: 2388.84, 0.00391688/step, 2.08508 hours remaining, 112.082031 MB of memory in use. ENERGY: 583600 650.2430 1824.3786 1977.3542 122.2602 0.6194 -1051.0005 0.0000 0.0000 2714.7239 6238.5788 299.8488 3523.8549 6271.4147 300.7745 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: 2389.62, 0.00392106/step Wall: 2389.62, 0.00392106/step, 2.0871 hours remaining, 112.082031 MB of memory in use. ENERGY: 583800 644.7737 1895.5423 1970.1637 109.8883 1.6336 -1080.9802 0.0000 0.0000 2675.0145 6216.0360 295.4628 3541.0215 6247.7512 300.3282 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: 2390.41, 0.00392226/step Wall: 2390.41, 0.00392226/step, 2.08751 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 584000 614.9035 1863.0581 1954.2814 93.5401 0.9877 -1052.1467 0.0000 0.0000 2736.1081 6210.7323 302.2108 3474.6242 6243.7711 298.6592 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: 2391.19, 0.00392134/step Wall: 2391.19, 0.00392134/step, 2.0868 hours remaining, 112.082031 MB of memory in use. ENERGY: 584200 654.2270 1851.8186 1952.9247 111.1693 1.6598 -1056.0896 0.0000 0.0000 2722.4493 6238.1591 300.7021 3515.7098 6267.5460 300.6325 LDB: ============= START OF LOAD BALANCING ============== 2393.89 LDB: ============== END OF LOAD BALANCING =============== 2393.89 LDB: =============== DONE WITH MIGRATION ================ 2393.89 LDB: ============= START OF LOAD BALANCING ============== 2394.28 LDB: ============== END OF LOAD BALANCING =============== 2394.28 LDB: =============== DONE WITH MIGRATION ================ 2394.28 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: 2391.97, 0.00392429/step Wall: 2391.97, 0.00392429/step, 2.08816 hours remaining, 112.082031 MB of memory in use. ENERGY: 584400 657.4777 1888.3390 1937.2547 118.1643 1.4820 -1063.5108 0.0000 0.0000 2736.6393 6275.8462 302.2694 3539.2069 6308.4429 300.7325 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: 2392.76, 0.00391577/step Wall: 2392.76, 0.00391577/step, 2.08341 hours remaining, 112.082031 MB of memory in use. ENERGY: 584600 653.4033 1848.0843 1947.8548 95.2711 1.6654 -1075.5982 0.0000 0.0000 2771.1057 6241.7865 306.0763 3470.6808 6275.9997 303.2699 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: 2393.54, 0.00392335/step Wall: 2393.54, 0.00392335/step, 2.08722 hours remaining, 112.082031 MB of memory in use. ENERGY: 584800 665.9855 1853.2670 1942.2672 109.7873 1.4012 -1020.1633 0.0000 0.0000 2640.9451 6193.4899 291.6997 3552.5448 6223.9580 300.2252 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: 2394.33, 0.00392426/step Wall: 2394.33, 0.00392425/step, 2.08748 hours remaining, 112.082031 MB of memory in use. ENERGY: 585000 655.4737 1859.0913 1908.2440 98.5676 3.5816 -1094.0238 0.0000 0.0000 2752.7903 6183.7247 304.0534 3430.9345 6218.3557 297.8548 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: 2395.11, 0.0039221/step Wall: 2395.11, 0.0039221/step, 2.08612 hours remaining, 112.082031 MB of memory in use. ENERGY: 585200 648.5067 1912.5078 1906.2793 100.8752 1.4396 -1075.5013 0.0000 0.0000 2726.0246 6220.1319 301.0970 3494.1072 6254.4271 301.2986 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: 2395.89, 0.00391345/step Wall: 2395.89, 0.00391345/step, 2.0813 hours remaining, 112.082031 MB of memory in use. ENERGY: 585400 643.4863 1877.5400 1940.1661 122.8550 0.7572 -1067.1750 0.0000 0.0000 2693.2191 6210.8488 297.4735 3517.6297 6241.6207 299.6302 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: 2396.68, 0.00392031/step Wall: 2396.68, 0.00392031/step, 2.08474 hours remaining, 112.082031 MB of memory in use. ENERGY: 585600 674.9673 1808.4593 1944.1452 112.5234 0.4770 -1053.9448 0.0000 0.0000 2722.0211 6208.6485 300.6548 3486.6274 6238.7843 298.5126 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: 2397.46, 0.00392691/step Wall: 2397.46, 0.0039269/step, 2.08802 hours remaining, 112.082031 MB of memory in use. ENERGY: 585800 706.6917 1803.8676 1952.4435 112.9924 -1.1559 -1083.1437 0.0000 0.0000 2769.8338 6261.5293 305.9359 3491.6955 6297.3195 301.1231 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: 2398.25, 0.00391888/step Wall: 2398.25, 0.00391888/step, 2.08354 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 586000 644.7029 1873.7590 1976.9941 116.1319 1.2062 -1090.9454 0.0000 0.0000 2739.6333 6261.4820 302.6001 3521.8487 6294.4102 302.2258 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: 2399.03, 0.00392268/step Wall: 2399.03, 0.00392268/step, 2.08534 hours remaining, 112.082031 MB of memory in use. ENERGY: 586200 664.7465 1848.3252 1962.5209 103.7478 0.5565 -1084.2658 0.0000 0.0000 2722.1576 6217.7886 300.6699 3495.6310 6249.5480 302.3247 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: 2399.81, 0.00391352/step Wall: 2399.81, 0.00391352/step, 2.08025 hours remaining, 112.082031 MB of memory in use. ENERGY: 586400 683.8537 1896.1995 1954.9311 111.1940 1.6176 -1089.7197 0.0000 0.0000 2695.6380 6253.7142 297.7407 3558.0762 6285.9148 302.4007 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: 2400.6, 0.00392061/step Wall: 2400.6, 0.00392061/step, 2.08381 hours remaining, 112.082031 MB of memory in use. ENERGY: 586600 637.1305 1880.0695 1978.2197 107.6829 0.8638 -1070.6717 0.0000 0.0000 2724.1696 6257.4645 300.8921 3533.2949 6288.5564 302.3214 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: 2401.39, 0.00395322/step Wall: 2401.39, 0.00395322/step, 2.10092 hours remaining, 112.082031 MB of memory in use. ENERGY: 586800 689.0137 1876.9494 1988.0828 105.9449 2.8001 -1061.2498 0.0000 0.0000 2667.0398 6268.5808 294.5820 3601.5410 6298.8821 302.9230 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: 2402.18, 0.00393108/step Wall: 2402.18, 0.00393108/step, 2.08893 hours remaining, 112.082031 MB of memory in use. ENERGY: 587000 648.6767 1802.9669 1977.9233 95.8685 3.2630 -1073.6260 0.0000 0.0000 2797.4965 6252.5689 308.9913 3455.0724 6288.9836 303.7873 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: 2402.96, 0.00392551/step Wall: 2402.96, 0.0039255/step, 2.08575 hours remaining, 112.082031 MB of memory in use. ENERGY: 587200 658.2388 1819.0916 1984.5217 109.6843 2.4721 -1066.0397 0.0000 0.0000 2683.2857 6191.2545 296.3764 3507.9688 6225.7274 300.7881 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: 2403.74, 0.00392082/step Wall: 2403.74, 0.00392083/step, 2.08305 hours remaining, 112.082031 MB of memory in use. ENERGY: 587400 659.4318 1814.0009 1975.5527 93.1301 3.5134 -1095.8065 0.0000 0.0000 2770.8160 6220.6384 306.0443 3449.8224 6255.9069 298.9319 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: 2404.53, 0.00392311/step Wall: 2404.53, 0.00392311/step, 2.08404 hours remaining, 112.082031 MB of memory in use. ENERGY: 587600 651.5202 1860.5282 1975.8484 108.3656 1.3104 -1068.9989 0.0000 0.0000 2641.9117 6170.4856 291.8065 3528.5739 6204.2661 299.0320 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: 2405.31, 0.0039186/step Wall: 2405.31, 0.0039186/step, 2.08143 hours remaining, 112.082031 MB of memory in use. ENERGY: 587800 639.5374 1848.4321 1965.5437 110.2314 1.3218 -1091.7525 0.0000 0.0000 2705.4564 6178.7703 298.8252 3473.3138 6208.9423 298.4673 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: 2406.1, 0.00393476/step Wall: 2406.1, 0.00393476/step, 2.0898 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 588000 628.8309 1844.3377 1948.2964 110.4024 2.2269 -1068.7232 0.0000 0.0000 2680.3956 6145.7667 296.0572 3465.3711 6175.7583 298.0634 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: 2406.88, 0.00391839/step Wall: 2406.88, 0.00391839/step, 2.08088 hours remaining, 112.082031 MB of memory in use. ENERGY: 588200 643.3939 1818.9058 1971.2980 110.1808 3.3402 -1086.9991 0.0000 0.0000 2626.7921 6086.9118 290.1365 3460.1197 6117.3610 293.5288 LDB: ============= START OF LOAD BALANCING ============== 2409.59 LDB: ============== END OF LOAD BALANCING =============== 2409.59 LDB: =============== DONE WITH MIGRATION ================ 2409.59 LDB: ============= START OF LOAD BALANCING ============== 2409.98 LDB: ============== END OF LOAD BALANCING =============== 2409.98 LDB: =============== DONE WITH MIGRATION ================ 2409.98 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: 2407.67, 0.00392581/step Wall: 2407.67, 0.00392581/step, 2.08461 hours remaining, 112.082031 MB of memory in use. ENERGY: 588400 614.2187 1852.4969 1951.9786 103.1834 1.3914 -1080.6271 0.0000 0.0000 2673.1787 6115.8206 295.2600 3442.6419 6150.9105 293.4090 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: 2408.45, 0.0039246/step Wall: 2408.45, 0.0039246/step, 2.08375 hours remaining, 112.082031 MB of memory in use. ENERGY: 588600 648.0314 1810.4910 1960.7448 126.3708 1.5697 -1071.6080 0.0000 0.0000 2721.4777 6197.0775 300.5948 3475.5998 6230.0517 297.0204 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: 2409.24, 0.00392118/step Wall: 2409.24, 0.00392118/step, 2.08171 hours remaining, 112.082031 MB of memory in use. ENERGY: 588800 670.4860 1778.6251 1968.9096 121.6456 3.1209 -1031.3388 0.0000 0.0000 2697.2619 6208.7103 297.9201 3511.4484 6242.1849 298.1227 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: 2410.02, 0.00392161/step Wall: 2410.02, 0.00392161/step, 2.08172 hours remaining, 112.082031 MB of memory in use. ENERGY: 589000 657.8755 1801.1407 1943.9270 118.1760 1.5574 -1067.2882 0.0000 0.0000 2735.5875 6190.9759 302.1533 3455.3884 6222.5722 299.4004 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: 2410.81, 0.00391536/step Wall: 2410.81, 0.00391536/step, 2.07818 hours remaining, 112.082031 MB of memory in use. ENERGY: 589200 640.6148 1814.0627 1959.3240 95.9367 1.1487 -1036.5356 0.0000 0.0000 2697.5564 6172.1078 297.9526 3474.5514 6207.2395 297.0725 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: 2411.59, 0.00392167/step Wall: 2411.59, 0.00392167/step, 2.08132 hours remaining, 112.082031 MB of memory in use. ENERGY: 589400 637.5312 1829.2321 1974.2047 105.8282 0.3019 -1091.9054 0.0000 0.0000 2727.7392 6182.9319 301.2864 3455.1927 6217.0791 296.6208 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: 2412.37, 0.00392134/step Wall: 2412.37, 0.00392134/step, 2.08092 hours remaining, 112.082031 MB of memory in use. ENERGY: 589600 673.0609 1827.0548 1948.6444 115.1789 1.1894 -1078.5094 0.0000 0.0000 2739.8706 6226.4896 302.6263 3486.6190 6260.8376 301.1120 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: 2413.16, 0.00392177/step Wall: 2413.16, 0.00392177/step, 2.08093 hours remaining, 112.082031 MB of memory in use. ENERGY: 589800 662.4505 1867.2310 1992.0867 105.5112 1.8815 -1104.6458 0.0000 0.0000 2674.6304 6199.1456 295.4204 3524.5152 6231.1471 298.5866 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: 2413.94, 0.00391554/step Wall: 2413.94, 0.00391554/step, 2.07741 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 590000 648.3259 1843.5405 1979.0450 101.7555 1.9553 -1072.2409 0.0000 0.0000 2650.3419 6152.7232 292.7376 3502.3813 6183.5776 297.8293 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 590000 WRITING COORDINATES TO DCD FILE MD.1.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: 2415.33, 0.00693992/step Wall: 2415.33, 0.00693992/step, 3.68163 hours remaining, 112.082031 MB of memory in use. ENERGY: 590200 652.0364 1819.5975 1939.1242 102.1341 1.8965 -1060.3575 0.0000 0.0000 2703.3191 6157.7504 298.5891 3454.4312 6191.1937 297.2682 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: 2416.11, 0.00392306/step Wall: 2416.11, 0.00392306/step, 2.08097 hours remaining, 112.082031 MB of memory in use. ENERGY: 590400 592.8707 1846.4516 1937.2647 108.6842 1.0601 -1049.0566 0.0000 0.0000 2682.7330 6120.0077 296.3153 3437.2747 6155.6256 296.6953 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: 2416.9, 0.00391793/step Wall: 2416.9, 0.00391793/step, 2.07803 hours remaining, 112.082031 MB of memory in use. ENERGY: 590600 644.0576 1798.7824 1959.9286 104.5760 2.0976 -1105.6755 0.0000 0.0000 2692.7329 6096.4996 297.4198 3403.7667 6129.5106 294.9299 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: 2417.68, 0.00392211/step Wall: 2417.68, 0.00392211/step, 2.08003 hours remaining, 112.082031 MB of memory in use. ENERGY: 590800 632.5631 1809.8981 1967.5710 96.3991 2.4668 -1080.3354 0.0000 0.0000 2667.5284 6096.0911 294.6359 3428.5628 6130.2357 294.1951 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: 2418.47, 0.00392258/step Wall: 2418.47, 0.00392258/step, 2.08006 hours remaining, 112.082031 MB of memory in use. ENERGY: 591000 640.4515 1795.5732 1978.2259 106.0343 -0.1039 -1055.4581 0.0000 0.0000 2677.9877 6142.7106 295.7912 3464.7229 6176.5908 294.1928 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: 2419.25, 0.00392292/step Wall: 2419.25, 0.00392292/step, 2.08002 hours remaining, 112.082031 MB of memory in use. ENERGY: 591200 665.6674 1817.6989 1976.2594 117.0901 1.3459 -1062.0913 0.0000 0.0000 2639.7964 6155.7668 291.5729 3515.9704 6186.4705 296.6354 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: 2420.04, 0.00392063/step Wall: 2420.04, 0.00392063/step, 2.07858 hours remaining, 112.082031 MB of memory in use. ENERGY: 591400 632.2415 1818.2937 1954.7216 101.4406 1.5752 -1061.4303 0.0000 0.0000 2688.9978 6135.8402 297.0073 3446.8423 6168.9039 297.2257 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: 2420.82, 0.00391548/step Wall: 2420.82, 0.00391548/step, 2.07564 hours remaining, 112.082031 MB of memory in use. ENERGY: 591600 652.6084 1794.9836 1962.0026 101.8388 2.1443 -1086.0132 0.0000 0.0000 2714.1936 6141.7582 299.7902 3427.5646 6173.4629 295.7431 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: 2421.6, 0.00392025/step Wall: 2421.6, 0.00392025/step, 2.07795 hours remaining, 112.082031 MB of memory in use. ENERGY: 591800 655.5887 1822.9563 1947.2885 109.2966 1.0425 -1094.5093 0.0000 0.0000 2639.1920 6080.8554 291.5061 3441.6633 6114.9503 294.7194 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: 2422.39, 0.00392178/step Wall: 2422.39, 0.00392178/step, 2.07854 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 592000 655.5054 1820.7841 1960.0842 111.4295 1.7212 -1070.7026 0.0000 0.0000 2619.5463 6098.3680 289.3362 3478.8217 6129.1900 293.4719 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: 2424.02, 0.00817752/step Wall: 2424.02, 0.00817752/step, 4.33363 hours remaining, 112.082031 MB of memory in use. ENERGY: 592200 648.1101 1794.3995 1942.7391 104.8462 2.8960 -1076.4346 0.0000 0.0000 2636.8257 6053.3821 291.2447 3416.5563 6086.5848 293.5198 LDB: ============= START OF LOAD BALANCING ============== 2426.73 LDB: ============== END OF LOAD BALANCING =============== 2426.73 LDB: =============== DONE WITH MIGRATION ================ 2426.73 LDB: ============= START OF LOAD BALANCING ============== 2427.12 LDB: ============== END OF LOAD BALANCING =============== 2427.12 LDB: =============== DONE WITH MIGRATION ================ 2427.12 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: 2424.81, 0.00394858/step Wall: 2424.81, 0.00394858/step, 2.09231 hours remaining, 112.082031 MB of memory in use. ENERGY: 592400 652.5300 1838.4997 1942.8646 100.3621 1.3961 -1066.2907 0.0000 0.0000 2648.3234 6117.6853 292.5147 3469.3619 6147.8587 293.0292 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: 2425.6, 0.00391955/step Wall: 2425.6, 0.00391955/step, 2.07671 hours remaining, 112.082031 MB of memory in use. ENERGY: 592600 646.1283 1826.2850 1961.0056 96.3979 1.5289 -1112.1591 0.0000 0.0000 2684.2781 6103.4647 296.4860 3419.1866 6136.5588 295.2273 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: 2426.38, 0.00392026/step Wall: 2426.38, 0.00392026/step, 2.07687 hours remaining, 112.082031 MB of memory in use. ENERGY: 592800 627.1584 1842.3338 1940.7344 110.5108 1.5299 -1115.7538 0.0000 0.0000 2730.0598 6136.5734 301.5427 3406.5136 6170.6136 296.6363 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: 2427.16, 0.00391832/step Wall: 2427.16, 0.00391832/step, 2.07562 hours remaining, 112.082031 MB of memory in use. ENERGY: 593000 642.6130 1870.5886 1972.3944 103.8426 2.0335 -1090.2826 0.0000 0.0000 2672.7018 6173.8913 295.2074 3501.1895 6205.5521 297.0040 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: 2427.95, 0.00391392/step Wall: 2427.95, 0.00391392/step, 2.07307 hours remaining, 112.082031 MB of memory in use. ENERGY: 593200 649.5578 1804.6244 1940.8976 112.0398 1.2845 -1109.6369 0.0000 0.0000 2741.4927 6140.2600 302.8055 3398.7672 6173.8149 298.0232 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: 2428.73, 0.00391884/step Wall: 2428.73, 0.00391884/step, 2.07546 hours remaining, 112.082031 MB of memory in use. ENERGY: 593400 647.5573 1882.1917 1976.5220 97.8723 0.9454 -1121.3346 0.0000 0.0000 2702.0225 6185.7767 298.4459 3483.7542 6220.4596 299.4011 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: 2429.51, 0.00391928/step Wall: 2429.51, 0.00391928/step, 2.07548 hours remaining, 112.082031 MB of memory in use. ENERGY: 593600 636.6162 1845.3654 1941.5410 112.3724 2.1129 -1071.3119 0.0000 0.0000 2721.6195 6188.3154 300.6104 3466.6960 6221.2712 299.0471 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: 2430.3, 0.00391976/step Wall: 2430.3, 0.00391976/step, 2.07551 hours remaining, 112.082031 MB of memory in use. ENERGY: 593800 653.1111 1849.7273 1972.8026 106.0510 2.5154 -1114.8218 0.0000 0.0000 2738.9907 6208.3763 302.5292 3469.3857 6243.2019 299.5324 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: 2431.08, 0.00392227/step Wall: 2431.08, 0.00392227/step, 2.07662 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 594000 634.3496 1881.3072 1956.7253 111.0565 0.3348 -1109.2452 0.0000 0.0000 2736.8426 6211.3710 302.2919 3474.5284 6242.9137 299.1925 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: 2431.87, 0.00391559/step Wall: 2431.87, 0.00391559/step, 2.07287 hours remaining, 112.082031 MB of memory in use. ENERGY: 594200 673.8909 1873.4564 1938.1307 102.2674 -0.0405 -1099.7384 0.0000 0.0000 2715.7969 6203.7634 299.9673 3487.9665 6234.3587 300.1204 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: 2432.65, 0.00392204/step Wall: 2432.65, 0.00392204/step, 2.07607 hours remaining, 112.082031 MB of memory in use. ENERGY: 594400 606.0966 1784.2684 1952.7461 110.1470 0.4794 -1062.5820 0.0000 0.0000 2701.8605 6093.0160 298.4280 3391.1555 6128.5314 295.8662 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: 2433.43, 0.0039206/step Wall: 2433.43, 0.0039206/step, 2.07509 hours remaining, 112.082031 MB of memory in use. ENERGY: 594600 631.1838 1780.8588 1969.6161 95.7680 1.0638 -1059.7962 0.0000 0.0000 2656.8830 6075.5773 293.4601 3418.6943 6109.1430 294.3464 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: 2434.22, 0.00391935/step Wall: 2434.22, 0.00391935/step, 2.0742 hours remaining, 112.082031 MB of memory in use. ENERGY: 594800 660.8430 1813.3814 1987.0291 106.2571 0.9430 -1114.9861 0.0000 0.0000 2611.1940 6064.6615 288.4137 3453.4675 6095.3290 292.6492 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: 2435, 0.0039146/step Wall: 2435, 0.0039146/step, 2.07148 hours remaining, 112.082031 MB of memory in use. ENERGY: 595000 651.8679 1814.5583 1940.3400 112.8788 1.1818 -1105.8532 0.0000 0.0000 2653.7077 6068.6812 293.1094 3414.9735 6099.0478 292.4208 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: 2435.78, 0.00391749/step Wall: 2435.78, 0.00391749/step, 2.07279 hours remaining, 112.082031 MB of memory in use. ENERGY: 595200 654.2319 1812.4939 1982.0174 121.2790 1.6425 -1098.7717 0.0000 0.0000 2638.2242 6111.1173 291.3992 3472.8931 6142.5971 294.2594 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: 2436.57, 0.00392777/step Wall: 2436.57, 0.00392777/step, 2.07801 hours remaining, 112.082031 MB of memory in use. ENERGY: 595400 669.4412 1803.9192 1983.7911 110.9654 0.8598 -1083.6068 0.0000 0.0000 2659.9836 6145.3535 293.8026 3485.3699 6176.4681 296.2125 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: 2437.36, 0.00392992/step Wall: 2437.36, 0.00392992/step, 2.07893 hours remaining, 112.082031 MB of memory in use. ENERGY: 595600 651.9116 1808.8002 1989.4256 110.0341 0.5217 -1114.9092 0.0000 0.0000 2667.4983 6113.2823 294.6326 3445.7840 6144.0755 295.6919 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: 2438.14, 0.0039193/step Wall: 2438.14, 0.0039193/step, 2.07309 hours remaining, 112.082031 MB of memory in use. ENERGY: 595800 643.2983 1806.0799 1999.7307 111.2117 1.7529 -1109.5441 0.0000 0.0000 2673.9498 6126.4792 295.3452 3452.5294 6161.4082 294.7886 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: 2438.92, 0.00391682/step Wall: 2438.92, 0.00391682/step, 2.07156 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 596000 620.7650 1819.0047 1975.7466 98.7378 2.5466 -1073.2599 0.0000 0.0000 2688.6489 6132.1897 296.9688 3443.5408 6165.1317 295.1866 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: 2439.71, 0.00392285/step Wall: 2439.71, 0.00392285/step, 2.07454 hours remaining, 112.082031 MB of memory in use. ENERGY: 596200 669.7622 1829.8323 1952.3116 110.4456 1.5023 -1085.3912 0.0000 0.0000 2695.1127 6173.5755 297.6827 3478.4628 6205.5775 295.8098 LDB: ============= START OF LOAD BALANCING ============== 2442.41 LDB: ============== END OF LOAD BALANCING =============== 2442.41 LDB: =============== DONE WITH MIGRATION ================ 2442.41 LDB: ============= START OF LOAD BALANCING ============== 2442.8 LDB: ============== END OF LOAD BALANCING =============== 2442.8 LDB: =============== DONE WITH MIGRATION ================ 2442.8 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: 2440.49, 0.00392776/step Wall: 2440.49, 0.00392776/step, 2.07691 hours remaining, 112.082031 MB of memory in use. ENERGY: 596400 643.5568 1804.8418 1969.0173 103.4200 1.3433 -1073.1444 0.0000 0.0000 2713.5799 6162.6146 299.7225 3449.0347 6196.9410 299.8379 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: 2441.28, 0.00392124/step Wall: 2441.28, 0.00392124/step, 2.07325 hours remaining, 112.082031 MB of memory in use. ENERGY: 596600 660.2600 1838.2737 1950.0287 102.1773 1.6962 -1093.9431 0.0000 0.0000 2691.3004 6149.7932 297.2616 3458.4927 6183.6071 299.2141 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: 2442.06, 0.00392065/step Wall: 2442.06, 0.00392065/step, 2.07272 hours remaining, 112.082031 MB of memory in use. ENERGY: 596800 654.3283 1821.4067 1959.8931 109.2999 1.7780 -1088.0545 0.0000 0.0000 2666.9869 6125.6384 294.5761 3458.6515 6157.8386 296.1570 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: 2442.85, 0.00391813/step Wall: 2442.85, 0.00391813/step, 2.07116 hours remaining, 112.082031 MB of memory in use. ENERGY: 597000 638.7234 1814.7292 1977.1626 105.2405 2.0295 -1081.7103 0.0000 0.0000 2674.7503 6130.9253 295.4336 3456.1750 6165.3888 295.9117 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: 2443.63, 0.00392115/step Wall: 2443.63, 0.00392115/step, 2.07255 hours remaining, 112.082031 MB of memory in use. ENERGY: 597200 628.2783 1838.5342 1949.8844 102.6368 2.3732 -1054.0545 0.0000 0.0000 2655.6618 6123.3143 293.3252 3467.6524 6156.3084 296.5004 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: 2444.41, 0.00392266/step Wall: 2444.41, 0.00392266/step, 2.07313 hours remaining, 112.082031 MB of memory in use. ENERGY: 597400 634.8240 1825.0119 1965.9979 105.0165 0.6644 -1103.0798 0.0000 0.0000 2720.0426 6148.4774 300.4363 3428.4348 6182.2338 297.1956 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: 2445.2, 0.00391888/step Wall: 2445.2, 0.00391888/step, 2.07091 hours remaining, 112.082031 MB of memory in use. ENERGY: 597600 662.2574 1862.0329 1979.8740 113.2970 0.0821 -1109.0484 0.0000 0.0000 2676.6852 6185.1802 295.6473 3508.4949 6215.7246 298.9742 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: 2445.98, 0.00391646/step Wall: 2445.98, 0.00391646/step, 2.06941 hours remaining, 112.082031 MB of memory in use. ENERGY: 597800 653.6032 1765.0733 1964.7769 104.3695 2.0386 -1091.4979 0.0000 0.0000 2708.0291 6106.3927 299.1094 3398.3636 6140.4595 297.0449 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: 2446.77, 0.00392431/step Wall: 2446.77, 0.00392431/step, 2.07335 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 598000 686.3888 1804.4595 1974.8645 104.1145 1.3838 -1076.6384 0.0000 0.0000 2680.1652 6174.7381 296.0317 3494.5729 6210.2289 296.9509 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: 2447.55, 0.00392419/step Wall: 2447.55, 0.00392419/step, 2.07306 hours remaining, 112.082031 MB of memory in use. ENERGY: 598200 635.6465 1874.2693 1957.6669 106.9071 2.3870 -1026.9116 0.0000 0.0000 2702.1035 6252.0687 298.4549 3549.9652 6282.8486 299.5901 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: 2448.34, 0.00392476/step Wall: 2448.34, 0.00392476/step, 2.07315 hours remaining, 112.082031 MB of memory in use. ENERGY: 598400 672.4625 1865.3454 1970.1363 112.9768 0.4338 -1078.2465 0.0000 0.0000 2716.0228 6259.1312 299.9923 3543.1084 6289.0596 302.6886 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: 2449.12, 0.00392319/step Wall: 2449.12, 0.00392319/step, 2.0721 hours remaining, 112.082031 MB of memory in use. ENERGY: 598600 627.5530 1805.8222 1987.6546 118.6760 2.2790 -1061.8284 0.0000 0.0000 2749.9571 6230.1135 303.7404 3480.1565 6264.9813 301.6524 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: 2449.9, 0.00391857/step Wall: 2449.9, 0.00391857/step, 2.06944 hours remaining, 112.082031 MB of memory in use. ENERGY: 598800 640.6434 1816.5478 1969.4582 101.5093 1.4155 -1097.9112 0.0000 0.0000 2779.0105 6210.6735 306.9495 3431.6630 6247.2832 300.5014 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: 2450.69, 0.00392509/step Wall: 2450.69, 0.00392509/step, 2.07267 hours remaining, 112.082031 MB of memory in use. ENERGY: 599000 654.6356 1857.0065 1960.4293 105.4582 2.9333 -1087.5147 0.0000 0.0000 2727.2585 6220.2067 301.2333 3492.9483 6259.1933 301.1746 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: 2451.47, 0.00392563/step Wall: 2451.47, 0.00392563/step, 2.07273 hours remaining, 112.082031 MB of memory in use. ENERGY: 599200 700.9739 1825.4368 1979.7657 108.6881 2.9006 -1112.7669 0.0000 0.0000 2701.3616 6206.3599 298.3729 3504.9982 6240.2797 300.1621 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: 2452.26, 0.00392463/step Wall: 2452.26, 0.00392463/step, 2.07199 hours remaining, 112.082031 MB of memory in use. ENERGY: 599400 626.1518 1874.8712 1951.8723 104.6959 3.1800 -1075.9585 0.0000 0.0000 2801.3325 6286.1453 309.4150 3484.8128 6319.0165 302.0393 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: 2453.04, 0.0039177/step Wall: 2453.04, 0.0039177/step, 2.06811 hours remaining, 112.082031 MB of memory in use. ENERGY: 599600 618.9336 1881.3419 1955.1779 116.0149 2.5573 -1100.7859 0.0000 0.0000 2787.8907 6261.1305 307.9303 3473.2397 6295.4720 305.5641 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: 2453.83, 0.00392436/step Wall: 2453.83, 0.00392436/step, 2.07141 hours remaining, 112.082031 MB of memory in use. ENERGY: 599800 648.9948 1923.0959 1969.2422 107.1364 2.0973 -1104.3332 0.0000 0.0000 2741.4332 6287.6666 302.7989 3546.2334 6318.6114 305.0025 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: 2454.61, 0.00392335/step Wall: 2454.61, 0.00392335/step, 2.07066 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 600000 661.6648 1799.0629 1986.5434 114.5608 0.7736 -1090.0780 0.0000 0.0000 2806.0013 6278.5288 309.9307 3472.5275 6312.0342 304.4664 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 600000 WRITING COORDINATES TO DCD FILE MD.1.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: 2455.62, 0.00501748/step Wall: 2455.62, 0.00501748/step, 2.64784 hours remaining, 112.082031 MB of memory in use. ENERGY: 600200 647.7537 1915.7312 1951.2444 105.8585 1.5938 -1087.7501 0.0000 0.0000 2747.0668 6281.4983 303.4212 3534.4314 6314.1673 304.5468 LDB: ============= START OF LOAD BALANCING ============== 2458.32 LDB: ============== END OF LOAD BALANCING =============== 2458.32 LDB: =============== DONE WITH MIGRATION ================ 2458.32 LDB: ============= START OF LOAD BALANCING ============== 2458.71 LDB: ============== END OF LOAD BALANCING =============== 2458.71 LDB: =============== DONE WITH MIGRATION ================ 2458.71 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: 2456.4, 0.0039271/step Wall: 2456.4, 0.0039271/step, 2.0722 hours remaining, 112.082031 MB of memory in use. ENERGY: 600400 669.7513 1850.2434 1965.2623 113.9558 1.4664 -1097.7607 0.0000 0.0000 2737.6359 6240.5544 302.3795 3502.9185 6275.6609 302.3578 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: 2457.19, 0.00392218/step Wall: 2457.19, 0.00392218/step, 2.06938 hours remaining, 112.082031 MB of memory in use. ENERGY: 600600 678.8726 1824.3122 1970.1505 115.4662 1.3062 -1109.6668 0.0000 0.0000 2720.6817 6201.1225 300.5069 3480.4409 6234.1133 301.4857 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: 2457.97, 0.00391602/step Wall: 2457.97, 0.00391601/step, 2.06591 hours remaining, 112.082031 MB of memory in use. ENERGY: 600800 638.3439 1875.4133 1955.6842 101.4810 2.7407 -1062.1846 0.0000 0.0000 2733.9334 6245.4119 301.9706 3511.4785 6279.5403 302.6428 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: 2458.75, 0.00392444/step Wall: 2458.75, 0.00392445/step, 2.07015 hours remaining, 112.082031 MB of memory in use. ENERGY: 601000 673.6909 1840.2234 1967.7991 111.4659 2.0869 -1092.1236 0.0000 0.0000 2721.9800 6225.1225 300.6503 3503.1425 6258.0411 302.7242 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: 2459.54, 0.00392182/step Wall: 2459.54, 0.00392182/step, 2.06854 hours remaining, 112.082031 MB of memory in use. ENERGY: 601200 641.7800 1913.3141 1966.0185 120.4983 2.2075 -1072.6864 0.0000 0.0000 2655.6114 6226.7434 293.3197 3571.1320 6258.4318 302.1880 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: 2460.32, 0.00392383/step Wall: 2460.32, 0.00392383/step, 2.06938 hours remaining, 112.082031 MB of memory in use. ENERGY: 601400 651.0378 1848.7920 1955.6982 116.5912 2.3576 -1050.1982 0.0000 0.0000 2715.7376 6240.0162 299.9608 3524.2786 6271.7736 301.5507 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: 2461.11, 0.0039227/step Wall: 2461.11, 0.0039227/step, 2.06857 hours remaining, 112.082031 MB of memory in use. ENERGY: 601600 637.7832 1901.4675 1958.2807 115.8730 2.9506 -1090.1306 0.0000 0.0000 2753.7977 6280.0223 304.1646 3526.2245 6310.9631 302.3171 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: 2461.89, 0.00391644/step Wall: 2461.89, 0.00391644/step, 2.06505 hours remaining, 112.082031 MB of memory in use. ENERGY: 601800 648.8557 1883.5510 1969.1562 98.8325 2.7188 -1068.0227 0.0000 0.0000 2707.1754 6242.2670 299.0151 3535.0916 6272.0033 302.6239 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: 2462.68, 0.00392159/step Wall: 2462.68, 0.00392159/step, 2.06755 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 602000 603.1161 1838.7944 1930.0722 102.7025 2.8502 -1015.8858 0.0000 0.0000 2743.1076 6204.7571 302.9839 3461.6496 6236.8277 298.5451 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: 2463.46, 0.00392403/step Wall: 2463.46, 0.00392403/step, 2.06862 hours remaining, 112.082031 MB of memory in use. ENERGY: 602200 645.3843 1846.3604 1944.7392 111.0389 2.3735 -1063.7195 0.0000 0.0000 2731.0387 6217.2155 301.6508 3486.1768 6251.4585 301.4027 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: 2464.24, 0.00392242/step Wall: 2464.24, 0.00392242/step, 2.06755 hours remaining, 112.082031 MB of memory in use. ENERGY: 602400 660.4582 1823.9284 1980.7223 118.0118 2.1302 -1074.2883 0.0000 0.0000 2688.5035 6199.4661 296.9527 3510.9627 6231.9572 301.1695 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: 2465.03, 0.00391675/step Wall: 2465.03, 0.00391675/step, 2.06434 hours remaining, 112.082031 MB of memory in use. ENERGY: 602600 634.4431 1780.4998 1985.3820 116.3798 0.6224 -1098.4525 0.0000 0.0000 2759.7322 6178.6067 304.8201 3418.8745 6213.3245 298.2737 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: 2465.81, 0.00393115/step Wall: 2465.81, 0.00393115/step, 2.07172 hours remaining, 112.082031 MB of memory in use. ENERGY: 602800 671.9715 1842.9075 1979.7098 122.0085 0.4057 -1103.2338 0.0000 0.0000 2644.2633 6158.0326 292.0663 3513.7693 6188.4544 297.9587 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: 2466.6, 0.00392835/step Wall: 2466.6, 0.00392835/step, 2.07002 hours remaining, 112.082031 MB of memory in use. ENERGY: 603000 700.9900 1874.5864 1957.7823 101.9042 2.4357 -1129.9629 0.0000 0.0000 2697.1704 6204.9062 297.9100 3507.7358 6236.3727 300.1364 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: 2467.38, 0.00392602/step Wall: 2467.38, 0.00392602/step, 2.06858 hours remaining, 112.082031 MB of memory in use. ENERGY: 603200 694.3182 1819.0305 1978.6682 113.4346 2.0040 -1111.3603 0.0000 0.0000 2741.4854 6237.5806 302.8047 3496.0951 6268.0416 302.2934 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: 2468.17, 0.00392141/step Wall: 2468.17, 0.00392141/step, 2.06593 hours remaining, 112.082031 MB of memory in use. ENERGY: 603400 642.8942 1844.6931 1952.5998 115.9785 2.0480 -1102.7992 0.0000 0.0000 2750.0912 6205.5056 303.7552 3455.4144 6237.9726 302.0111 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: 2468.95, 0.00391808/step Wall: 2468.95, 0.00391808/step, 2.06396 hours remaining, 112.082031 MB of memory in use. ENERGY: 603600 667.4927 1886.2792 1967.6221 110.9365 1.2395 -1092.4929 0.0000 0.0000 2683.1910 6224.2681 296.3659 3541.0771 6255.7618 300.9482 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: 2469.74, 0.0039222/step Wall: 2469.74, 0.0039222/step, 2.06591 hours remaining, 112.082031 MB of memory in use. ENERGY: 603800 672.6015 1856.4218 1976.2835 107.0463 0.6550 -1093.4432 0.0000 0.0000 2682.0679 6201.6328 296.2419 3519.5649 6233.5628 301.0604 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: 2470.52, 0.00392267/step Wall: 2470.52, 0.00392267/step, 2.06594 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 604000 633.2755 1801.4596 1993.7909 109.0705 1.4710 -1096.1717 0.0000 0.0000 2709.9685 6152.8644 299.3236 3442.8959 6188.4624 298.3133 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: 2471.31, 0.00392134/step Wall: 2471.31, 0.00392134/step, 2.06502 hours remaining, 112.082031 MB of memory in use. ENERGY: 604200 642.3673 1804.5009 1976.5120 104.2572 1.3255 -1104.6881 0.0000 0.0000 2727.3855 6151.6604 301.2473 3424.2748 6187.0213 298.3273 LDB: ============= START OF LOAD BALANCING ============== 2474.01 LDB: ============== END OF LOAD BALANCING =============== 2474.01 LDB: =============== DONE WITH MIGRATION ================ 2474.01 LDB: ============= START OF LOAD BALANCING ============== 2474.4 LDB: ============== END OF LOAD BALANCING =============== 2474.4 LDB: =============== DONE WITH MIGRATION ================ 2474.4 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: 2472.09, 0.00392137/step Wall: 2472.09, 0.00392137/step, 2.06482 hours remaining, 112.082031 MB of memory in use. ENERGY: 604400 644.8595 1821.6757 1982.3582 99.2572 1.4017 -1104.4812 0.0000 0.0000 2725.0185 6170.0896 300.9859 3445.0711 6201.2647 297.9792 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: 2472.87, 0.00392216/step Wall: 2472.87, 0.00392216/step, 2.06502 hours remaining, 112.082031 MB of memory in use. ENERGY: 604600 654.7973 1846.0799 1973.0495 101.7619 3.1175 -1113.3645 0.0000 0.0000 2712.0924 6177.5339 299.5582 3465.4415 6210.4061 299.4502 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: 2473.66, 0.00392171/step Wall: 2473.66, 0.00392171/step, 2.06456 hours remaining, 112.082031 MB of memory in use. ENERGY: 604800 646.4598 1859.2859 1981.1970 126.6928 2.2821 -1131.6689 0.0000 0.0000 2662.1983 6146.4470 294.0472 3484.2487 6180.3884 297.9171 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: 2474.44, 0.00392185/step Wall: 2474.44, 0.00392185/step, 2.06442 hours remaining, 112.082031 MB of memory in use. ENERGY: 605000 667.0327 1836.2832 1953.8891 103.7401 1.7582 -1101.5104 0.0000 0.0000 2705.4834 6166.6764 298.8282 3461.1930 6200.4774 298.4243 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: 2475.23, 0.00392095/step Wall: 2475.23, 0.00392095/step, 2.06373 hours remaining, 112.082031 MB of memory in use. ENERGY: 605200 657.8272 1885.5576 1972.4967 111.3392 0.2459 -1108.8994 0.0000 0.0000 2652.7528 6171.3200 293.0039 3518.5672 6202.9773 298.1611 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: 2476.01, 0.00391725/step Wall: 2476.01, 0.00391725/step, 2.06156 hours remaining, 112.082031 MB of memory in use. ENERGY: 605400 668.6510 1908.8685 1978.4510 113.4522 1.1583 -1123.6992 0.0000 0.0000 2651.9271 6198.8089 292.9127 3546.8818 6230.5011 298.4245 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: 2476.8, 0.00392198/step Wall: 2476.8, 0.00392198/step, 2.06383 hours remaining, 112.082031 MB of memory in use. ENERGY: 605600 642.4093 1828.7474 1943.5194 104.2837 0.1825 -1075.3306 0.0000 0.0000 2711.3981 6155.2098 299.4815 3443.8117 6187.5169 298.6491 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: 2477.58, 0.0039397/step Wall: 2477.58, 0.0039397/step, 2.07294 hours remaining, 112.082031 MB of memory in use. ENERGY: 605800 640.9860 1828.1894 1955.2109 109.8407 0.8382 -1121.7981 0.0000 0.0000 2681.7545 6095.0216 296.2073 3413.2670 6127.6708 295.9436 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: 2478.37, 0.00392337/step Wall: 2478.37, 0.00392337/step, 2.06413 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 606000 651.8576 1836.9189 1984.9449 101.1884 0.2330 -1103.9169 0.0000 0.0000 2631.7247 6102.9507 290.6813 3471.2260 6138.9327 295.5284 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: 2479.15, 0.00391577/step Wall: 2479.15, 0.00391577/step, 2.05991 hours remaining, 112.082031 MB of memory in use. ENERGY: 606200 674.5810 1846.1519 1949.1478 105.5179 -1.6386 -1122.7743 0.0000 0.0000 2682.9234 6133.9091 296.3364 3450.9857 6163.9315 295.6022 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: 2479.94, 0.00392229/step Wall: 2479.94, 0.00392229/step, 2.06312 hours remaining, 112.082031 MB of memory in use. ENERGY: 606400 634.9140 1868.9390 1942.9030 113.6214 1.1290 -1075.8535 0.0000 0.0000 2699.4332 6185.0862 298.1599 3485.6530 6216.3551 297.4193 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: 2480.72, 0.00392318/step Wall: 2480.72, 0.00392318/step, 2.06337 hours remaining, 112.082031 MB of memory in use. ENERGY: 606600 680.1444 1906.9733 1934.0338 114.8700 0.9487 -1089.2285 0.0000 0.0000 2688.8516 6236.5934 296.9911 3547.7418 6265.6460 300.7511 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: 2481.5, 0.00392131/step Wall: 2481.5, 0.00392131/step, 2.06217 hours remaining, 112.082031 MB of memory in use. ENERGY: 606800 651.2892 1864.4501 1952.9679 109.9819 0.6463 -1112.2611 0.0000 0.0000 2733.5783 6200.6526 301.9313 3467.0743 6233.8747 301.5419 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: 2482.29, 0.00392214/step Wall: 2482.29, 0.00392214/step, 2.06239 hours remaining, 112.082031 MB of memory in use. ENERGY: 607000 634.9782 1833.3993 1973.1451 108.3582 1.5186 -1113.7463 0.0000 0.0000 2800.8373 6238.4904 309.3603 3437.6531 6275.9120 300.5963 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: 2483.07, 0.00391666/step Wall: 2483.07, 0.00391666/step, 2.05929 hours remaining, 112.082031 MB of memory in use. ENERGY: 607200 654.7512 1851.9058 1970.2931 108.5917 1.1158 -1097.7680 0.0000 0.0000 2726.5427 6215.4324 301.1542 3488.8897 6250.7730 302.1718 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: 2483.86, 0.0039209/step Wall: 2483.86, 0.0039209/step, 2.0613 hours remaining, 112.082031 MB of memory in use. ENERGY: 607400 647.2431 1872.5892 1988.8086 118.3457 1.4163 -1096.6463 0.0000 0.0000 2679.0482 6210.8048 295.9083 3531.7566 6243.9724 299.8618 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: 2484.64, 0.0039228/step Wall: 2484.64, 0.0039228/step, 2.06208 hours remaining, 112.082031 MB of memory in use. ENERGY: 607600 635.6255 1882.0856 1952.7300 106.7220 0.8741 -1118.1443 0.0000 0.0000 2716.0430 6175.9359 299.9945 3459.8929 6209.3399 297.9783 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: 2485.43, 0.00392108/step Wall: 2485.43, 0.00392107/step, 2.06096 hours remaining, 112.082031 MB of memory in use. ENERGY: 607800 639.7858 1868.9491 1976.6629 107.5100 0.0283 -1119.5323 0.0000 0.0000 2722.2170 6195.6207 300.6765 3473.4037 6228.8804 299.4636 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: 2486.21, 0.00391558/step Wall: 2486.21, 0.00391559/step, 2.05786 hours remaining, 112.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 608000 614.2479 1879.8982 1966.1142 102.0531 0.8996 -1132.8764 0.0000 0.0000 2727.3857 6157.7222 301.2474 3430.3365 6191.7197 298.6975 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: 2486.99, 0.00392344/step Wall: 2486.99, 0.00392344/step, 2.06177 hours remaining, 112.082031 MB of memory in use. ENERGY: 608200 672.8597 1844.9665 1965.4560 107.2819 0.5373 -1117.1883 0.0000 0.0000 2681.7998 6155.7128 296.2123 3473.9130 6187.6237 297.2493 LDB: ============= START OF LOAD BALANCING ============== 2489.69 LDB: ============== END OF LOAD BALANCING =============== 2489.7 LDB: =============== DONE WITH MIGRATION ================ 2489.7 LDB: ============= START OF LOAD BALANCING ============== 2490.09 LDB: ============== END OF LOAD BALANCING =============== 2490.09 LDB: =============== DONE WITH MIGRATION ================ 2490.09 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: 2487.78, 0.00392583/step Wall: 2487.78, 0.00392583/step, 2.06281 hours remaining, 112.082031 MB of memory in use. ENERGY: 608400 621.3823 1801.6296 1979.5194 111.2452 0.5727 -1105.7862 0.0000 0.0000 2742.9047 6151.4677 302.9615 3408.5630 6186.9642 297.7692 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: 2488.56, 0.00392458/step Wall: 2488.56, 0.00392458/step, 2.06193 hours remaining, 112.082031 MB of memory in use. ENERGY: 608600 667.9055 1896.2833 1959.3199 95.2987 0.7693 -1133.8422 0.0000 0.0000 2723.2749 6209.0095 300.7933 3485.7345 6240.9857 300.8933 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: 2489.35, 0.00392063/step Wall: 2489.35, 0.00392063/step, 2.05964 hours remaining, 112.082031 MB of memory in use. ENERGY: 608800 665.1105 1884.2366 1965.9831 113.0783 0.7640 -1124.2829 0.0000 0.0000 2705.3380 6210.2276 298.8121 3504.8896 6240.5441 300.5618 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: 2490.13, 0.00391493/step Wall: 2490.13, 0.00391493/step, 2.05643 hours remaining, 112.082031 MB of memory in use. ENERGY: 609000 663.4491 1854.5241 2002.2339 98.5480 2.2195 -1115.1198 0.0000 0.0000 2775.6718 6281.5266 306.5807 3505.8548 6316.5715 303.9934 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: 2490.91, 0.00392203/step Wall: 2490.91, 0.00392203/step, 2.05994 hours remaining, 112.082031 MB of memory in use. ENERGY: 609200 663.1140 1855.0077 1969.7203 119.3779 -0.7180 -1122.8722 0.0000 0.0000 2834.0691 6317.6987 313.0308 3483.6296 6352.9956 305.2161 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: 2491.7, 0.00392103/step Wall: 2491.7, 0.00392103/step, 2.05919 hours remaining, 112.082031 MB of memory in use. ENERGY: 609400 637.4453 1881.0832 1953.3787 112.4386 0.5632 -1091.9164 0.0000 0.0000 2784.6227 6277.6153 307.5693 3492.9926 6310.0996 306.9844 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: 2492.48, 0.00392311/step Wall: 2492.48, 0.00392311/step, 2.06007 hours remaining, 112.082031 MB of memory in use. ENERGY: 609600 689.3258 1907.6993 1994.0689 121.3618 1.2196 -1134.4280 0.0000 0.0000 2754.5389 6333.7865 304.2465 3579.2476 6366.3072 306.4930 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: 2493.27, 0.00392273/step Wall: 2493.27, 0.00392273/step, 2.05965 hours remaining, 112.082031 MB of memory in use. ENERGY: 609800 671.5097 1898.2995 1970.9550 119.2435 1.9369 -1069.8359 0.0000 0.0000 2771.4046 6363.5133 306.1094 3592.1087 6397.1799 307.6461 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: 2494.05, 0.00391662/step Wall: 2494.05, 0.00391662/step, 2.05623 hours remaining, 112.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 610000 657.9620 1888.9149 1969.8395 111.6924 1.6622 -1122.1128 0.0000 0.0000 2798.8469 6306.8051 309.1404 3507.9582 6343.4606 307.3075 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 610000 WRITING COORDINATES TO DCD FILE MD.1.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: 2495.06, 0.00503947/step Wall: 2495.06, 0.00503946/step, 2.64544 hours remaining, 112.085938 MB of memory in use. ENERGY: 610200 638.6965 1911.9645 1976.5277 100.9182 2.3556 -1084.8210 0.0000 0.0000 2751.6127 6297.2543 303.9233 3545.6416 6327.8635 305.8812 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: 2495.84, 0.00392216/step Wall: 2495.84, 0.00392217/step, 2.0587 hours remaining, 112.085938 MB of memory in use. ENERGY: 610400 676.3111 1942.7573 1967.2956 118.7562 1.1550 -1116.8275 0.0000 0.0000 2751.6588 6341.1065 303.9284 3589.4477 6375.3610 306.5362 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: 2496.63, 0.00392356/step Wall: 2496.63, 0.00392356/step, 2.05922 hours remaining, 112.085938 MB of memory in use. ENERGY: 610600 622.2424 1938.9089 1986.2495 114.9395 0.3125 -1056.7262 0.0000 0.0000 2741.5209 6347.4474 302.8086 3605.9266 6379.9385 306.4835 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: 2497.41, 0.00392322/step Wall: 2497.41, 0.00392322/step, 2.05882 hours remaining, 112.085938 MB of memory in use. ENERGY: 610800 668.0971 1903.8449 2003.8416 114.5638 1.0741 -1106.4962 0.0000 0.0000 2697.6617 6282.5871 297.9643 3584.9254 6316.7378 305.3073 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: 2498.2, 0.00391402/step Wall: 2498.2, 0.00391402/step, 2.05377 hours remaining, 112.085938 MB of memory in use. ENERGY: 611000 700.1161 1882.8724 1985.0733 97.0991 2.0979 -1097.7650 0.0000 0.0000 2703.9647 6273.4585 298.6604 3569.4939 6307.1633 303.5415 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: 2498.98, 0.00392339/step Wall: 2498.98, 0.00392339/step, 2.05847 hours remaining, 112.085938 MB of memory in use. ENERGY: 611200 678.0861 1928.9606 1941.6023 107.2497 1.4340 -1113.5644 0.0000 0.0000 2793.2750 6337.0432 308.5250 3543.7682 6368.9320 304.6924 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: 2499.77, 0.00392289/step Wall: 2499.77, 0.00392289/step, 2.05799 hours remaining, 112.085938 MB of memory in use. ENERGY: 611400 681.8844 1884.7172 1963.0102 104.3109 1.5218 -1115.5806 0.0000 0.0000 2829.3932 6349.2572 312.5144 3519.8640 6381.4160 307.0235 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: 2500.55, 0.00392293/step Wall: 2500.55, 0.00392293/step, 2.0578 hours remaining, 112.085938 MB of memory in use. ENERGY: 611600 669.5350 1887.5673 1981.0466 113.7822 2.6572 -1129.9017 0.0000 0.0000 2779.3580 6304.0446 306.9878 3524.6866 6338.9553 307.1577 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: 2501.33, 0.00392259/step Wall: 2501.33, 0.00392259/step, 2.0574 hours remaining, 112.085938 MB of memory in use. ENERGY: 611800 684.4249 1827.3373 1983.8087 110.9737 1.6356 -1064.4884 0.0000 0.0000 2763.7213 6307.4132 305.2607 3543.6919 6339.5248 305.0301 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: 2502.12, 0.00391564/step Wall: 2502.12, 0.00391564/step, 2.05354 hours remaining, 112.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 612000 625.3383 1876.1512 1973.7774 118.2521 0.9169 -1050.3028 0.0000 0.0000 2769.1665 6313.2996 305.8622 3544.1331 6346.4543 305.8584 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: 2502.9, 0.00392406/step Wall: 2502.9, 0.00392406/step, 2.05773 hours remaining, 112.085938 MB of memory in use. ENERGY: 612200 689.3836 1905.7839 1976.7901 121.0943 2.3017 -1085.6568 0.0000 0.0000 2688.7587 6298.4555 296.9809 3609.6969 6327.4854 305.4373 LDB: ============= START OF LOAD BALANCING ============== 2505.6 LDB: ============== END OF LOAD BALANCING =============== 2505.6 LDB: =============== DONE WITH MIGRATION ================ 2505.6 LDB: ============= START OF LOAD BALANCING ============== 2506 LDB: ============== END OF LOAD BALANCING =============== 2506 LDB: =============== DONE WITH MIGRATION ================ 2506 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: 2503.69, 0.00392692/step Wall: 2503.69, 0.00392692/step, 2.05902 hours remaining, 112.085938 MB of memory in use. ENERGY: 612400 657.4221 1893.4031 1949.1502 101.0004 0.9902 -1088.3136 0.0000 0.0000 2776.4115 6290.0639 306.6624 3513.6524 6323.5997 304.9153 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: 2504.47, 0.00392347/step Wall: 2504.47, 0.00392346/step, 2.05698 hours remaining, 112.085938 MB of memory in use. ENERGY: 612600 693.5961 1838.8392 1947.4984 94.2513 1.4900 -1092.3647 0.0000 0.0000 2726.9258 6210.2361 301.1966 3483.3103 6244.1282 302.3644 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: 2505.26, 0.00391488/step Wall: 2505.26, 0.00391489/step, 2.05227 hours remaining, 112.085938 MB of memory in use. ENERGY: 612800 676.4845 1822.5228 1961.4329 104.5217 2.0124 -1075.8955 0.0000 0.0000 2748.0608 6239.1396 303.5310 3491.0789 6275.2069 300.0891 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: 2506.04, 0.00392311/step Wall: 2506.04, 0.00392311/step, 2.05636 hours remaining, 112.085938 MB of memory in use. ENERGY: 613000 673.4668 1879.5746 1975.6740 128.9056 2.7784 -1101.7473 0.0000 0.0000 2714.5451 6273.1972 299.8291 3558.6521 6304.1424 302.2277 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: 2506.82, 0.00392397/step Wall: 2506.82, 0.00392398/step, 2.0566 hours remaining, 112.085938 MB of memory in use. ENERGY: 613200 676.0121 1857.6575 1979.8665 107.5226 2.2088 -1083.9324 0.0000 0.0000 2753.6273 6292.9624 304.1458 3539.3350 6326.7089 306.5279 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: 2507.61, 0.00392285/step Wall: 2507.61, 0.00392285/step, 2.05579 hours remaining, 112.085938 MB of memory in use. ENERGY: 613400 643.1382 1883.7658 1996.2895 117.0701 1.8388 -1080.9460 0.0000 0.0000 2690.1670 6251.3234 297.1364 3561.1564 6284.3047 304.1080 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: 2508.39, 0.0039245/step Wall: 2508.39, 0.0039245/step, 2.05644 hours remaining, 112.085938 MB of memory in use. ENERGY: 613600 670.3793 1865.1979 1951.1730 110.9848 -0.3355 -1092.4264 0.0000 0.0000 2721.1278 6226.1008 300.5561 3504.9731 6258.7909 302.7262 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: 2509.18, 0.00391629/step Wall: 2509.18, 0.00391629/step, 2.05192 hours remaining, 112.085938 MB of memory in use. ENERGY: 613800 634.4092 1863.6717 1925.1576 101.8578 1.3653 -1093.6884 0.0000 0.0000 2777.1239 6209.8970 306.7411 3432.7732 6244.6424 301.2044 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: 2509.96, 0.00392344/step Wall: 2509.96, 0.00392344/step, 2.05544 hours remaining, 112.085938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 614000 654.2870 1854.0730 1962.1820 110.2467 1.7574 -1065.8086 0.0000 0.0000 2758.8075 6275.5451 304.7180 3516.7376 6310.1272 301.7643 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: 2510.75, 0.00392195/step Wall: 2510.75, 0.00392195/step, 2.05445 hours remaining, 112.085938 MB of memory in use. ENERGY: 614200 659.4265 1891.0970 1946.2792 107.0043 1.9878 -1081.6706 0.0000 0.0000 2764.8367 6288.9609 305.3839 3524.1241 6325.0866 304.7599 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: 2511.53, 0.00392209/step Wall: 2511.53, 0.00392209/step, 2.0543 hours remaining, 112.085938 MB of memory in use. ENERGY: 614400 671.6910 1888.0945 1982.1621 104.1212 1.0886 -1097.8445 0.0000 0.0000 2745.6520 6294.9650 303.2649 3549.3130 6329.0164 304.0667 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: 2512.32, 0.00392267/step Wall: 2512.32, 0.00392267/step, 2.05439 hours remaining, 112.085938 MB of memory in use. ENERGY: 614600 653.5902 1906.2255 1975.4773 105.4870 0.1435 -1080.8512 0.0000 0.0000 2683.0831 6243.1554 296.3540 3560.0723 6274.8799 304.4319 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: 2513.1, 0.00391593/step Wall: 2513.1, 0.00391593/step, 2.05064 hours remaining, 112.085938 MB of memory in use. ENERGY: 614800 686.8063 1866.6840 1947.5778 111.6172 0.9732 -1072.2292 0.0000 0.0000 2678.9455 6220.3749 295.8970 3541.4294 6252.1814 302.0940 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: 2513.88, 0.00392287/step Wall: 2513.88, 0.00392287/step, 2.05406 hours remaining, 112.085938 MB of memory in use. ENERGY: 615000 658.9035 1857.8900 1957.1683 112.5936 -0.0386 -1058.7910 0.0000 0.0000 2687.0028 6214.7288 296.7869 3527.7260 6245.3089 300.4788 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: 2514.67, 0.00392395/step Wall: 2514.67, 0.00392395/step, 2.05441 hours remaining, 112.085938 MB of memory in use. ENERGY: 615200 675.3565 1842.5718 1945.0493 103.7203 0.5619 -1083.4334 0.0000 0.0000 2726.1437 6209.9701 301.1102 3483.8264 6241.9469 299.9862 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: 2515.45, 0.00392449/step Wall: 2515.45, 0.00392449/step, 2.05447 hours remaining, 112.085938 MB of memory in use. ENERGY: 615400 652.6061 1875.3071 1956.9862 108.6849 1.7383 -1084.0963 0.0000 0.0000 2653.6414 6164.8677 293.1021 3511.2263 6197.0823 298.7645 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: 2516.24, 0.0039151/step Wall: 2516.24, 0.0039151/step, 2.04934 hours remaining, 112.089844 MB of memory in use. ENERGY: 615600 647.0361 1816.7582 1947.8778 108.4471 0.5086 -1092.8148 0.0000 0.0000 2694.1104 6121.9234 297.5720 3427.8131 6154.9436 296.6402 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: 2517.02, 0.00393543/step Wall: 2517.02, 0.00393543/step, 2.05976 hours remaining, 112.089844 MB of memory in use. ENERGY: 615800 650.7822 1804.1532 1955.9910 102.4955 0.9101 -1120.1307 0.0000 0.0000 2684.2411 6078.4425 296.4819 3394.2014 6112.2066 296.0328 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: 2517.81, 0.00392328/step Wall: 2517.81, 0.00392327/step, 2.05318 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 616000 640.1054 1782.2958 1988.5670 107.7802 0.3575 -1100.6195 0.0000 0.0000 2652.9317 6071.4182 293.0237 3418.4865 6103.5174 294.2870 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: 2518.59, 0.00392425/step Wall: 2518.59, 0.00392426/step, 2.05348 hours remaining, 112.089844 MB of memory in use. ENERGY: 616200 640.2085 1795.0193 1972.7876 115.0307 1.6597 -1057.9761 0.0000 0.0000 2627.2750 6094.0046 290.1898 3466.7296 6125.2656 293.2131 LDB: ============= START OF LOAD BALANCING ============== 2521.29 LDB: ============== END OF LOAD BALANCING =============== 2521.29 LDB: =============== DONE WITH MIGRATION ================ 2521.29 LDB: ============= START OF LOAD BALANCING ============== 2521.69 LDB: ============== END OF LOAD BALANCING =============== 2521.69 LDB: =============== DONE WITH MIGRATION ================ 2521.69 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: 2519.38, 0.00392031/step Wall: 2519.38, 0.00392031/step, 2.05119 hours remaining, 112.089844 MB of memory in use. ENERGY: 616400 625.3023 1821.8881 1983.2954 109.4048 1.6759 -1070.1255 0.0000 0.0000 2681.5172 6152.9583 296.1810 3471.4410 6184.7972 295.4913 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: 2520.16, 0.00392254/step Wall: 2520.16, 0.00392254/step, 2.05214 hours remaining, 112.089844 MB of memory in use. ENERGY: 616600 656.2317 1839.0882 1965.8734 109.7954 -0.0113 -1077.6498 0.0000 0.0000 2667.1727 6160.5002 294.5967 3493.3275 6192.0318 296.8005 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: 2520.95, 0.00392399/step Wall: 2520.95, 0.00392399/step, 2.05269 hours remaining, 112.089844 MB of memory in use. ENERGY: 616800 641.8551 1809.1125 1961.6990 101.5326 1.7519 -1096.5609 0.0000 0.0000 2686.4383 6105.8284 296.7246 3419.3901 6137.8511 296.7046 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: 2521.73, 0.00392386/step Wall: 2521.73, 0.00392386/step, 2.0524 hours remaining, 112.089844 MB of memory in use. ENERGY: 617000 657.0893 1833.6150 1966.1807 92.6414 1.7681 -1087.4940 0.0000 0.0000 2684.8622 6148.6627 296.5505 3463.8005 6178.7587 296.6054 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: 2522.52, 0.00392473/step Wall: 2522.52, 0.00392473/step, 2.05264 hours remaining, 112.089844 MB of memory in use. ENERGY: 617200 641.0855 1811.3834 1998.6069 112.9992 1.5913 -1099.4745 0.0000 0.0000 2660.3850 6126.5767 293.8469 3466.1917 6158.5757 297.3525 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: 2523.3, 0.00391618/step Wall: 2523.3, 0.00391618/step, 2.04794 hours remaining, 112.089844 MB of memory in use. ENERGY: 617400 644.8069 1815.9962 1990.2594 102.8782 0.4920 -1086.7547 0.0000 0.0000 2618.6449 6086.3230 289.2366 3467.6781 6117.2078 294.0772 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: 2524.08, 0.00392194/step Wall: 2524.08, 0.00392193/step, 2.05074 hours remaining, 112.089844 MB of memory in use. ENERGY: 617600 624.3460 1836.9905 1950.8048 108.7543 1.2383 -1094.6116 0.0000 0.0000 2660.8516 6088.3739 293.8985 3427.5223 6120.6089 294.7776 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: 2524.87, 0.00392376/step Wall: 2524.87, 0.00392377/step, 2.05148 hours remaining, 112.089844 MB of memory in use. ENERGY: 617800 666.5537 1843.3261 1946.1609 104.6870 2.9997 -1106.5952 0.0000 0.0000 2629.7886 6086.9208 290.4675 3457.1322 6117.2686 293.7031 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: 2525.66, 0.00393804/step Wall: 2525.66, 0.00393804/step, 2.05872 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 618000 646.9153 1778.1548 1952.1044 124.0759 2.4792 -1086.6685 0.0000 0.0000 2646.5941 6063.6551 292.3237 3417.0610 6094.5914 291.9944 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: 2526.44, 0.00392125/step Wall: 2526.44, 0.00392125/step, 2.04972 hours remaining, 112.089844 MB of memory in use. ENERGY: 618200 637.5292 1862.6086 1939.8926 95.9516 2.7066 -1143.4122 0.0000 0.0000 2707.1214 6102.3978 299.0091 3395.2764 6132.8779 294.5074 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: 2527.23, 0.0039283/step Wall: 2527.23, 0.0039283/step, 2.05319 hours remaining, 112.089844 MB of memory in use. ENERGY: 618400 651.2060 1801.6293 1985.4107 106.4194 2.1835 -1107.8917 0.0000 0.0000 2694.4566 6133.4138 297.6102 3438.9572 6166.3318 296.7175 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: 2528.01, 0.00392474/step Wall: 2528.01, 0.00392474/step, 2.05111 hours remaining, 112.089844 MB of memory in use. ENERGY: 618600 675.8414 1810.1092 1951.0933 107.2703 1.2587 -1098.4596 0.0000 0.0000 2738.5651 6185.6784 302.4821 3447.1133 6216.2828 297.8515 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: 2528.8, 0.00392741/step Wall: 2528.8, 0.00392741/step, 2.05229 hours remaining, 112.089844 MB of memory in use. ENERGY: 618800 629.9952 1849.9227 1939.8816 105.3719 0.5569 -1101.8138 0.0000 0.0000 2709.5268 6133.4412 299.2748 3423.9144 6166.4277 297.9845 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: 2529.58, 0.00392442/step Wall: 2529.58, 0.00392442/step, 2.05051 hours remaining, 112.089844 MB of memory in use. ENERGY: 619000 638.5227 1878.8858 1952.7714 113.7277 0.9447 -1078.5787 0.0000 0.0000 2643.0615 6149.3351 291.9335 3506.2735 6179.0879 295.9418 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: 2530.36, 0.00391778/step Wall: 2530.36, 0.00391778/step, 2.04682 hours remaining, 112.089844 MB of memory in use. ENERGY: 619200 656.4764 1800.9624 1977.1005 111.7336 1.6006 -1099.8742 0.0000 0.0000 2678.6988 6126.6979 295.8697 3447.9991 6160.3392 297.2975 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: 2531.15, 0.00392486/step Wall: 2531.15, 0.00392486/step, 2.05031 hours remaining, 112.089844 MB of memory in use. ENERGY: 619400 652.9108 1870.7511 1970.0683 88.7060 2.2272 -1100.3045 0.0000 0.0000 2674.7975 6159.1564 295.4388 3484.3589 6189.4192 295.9163 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: 2531.93, 0.00392446/step Wall: 2531.93, 0.00392446/step, 2.04987 hours remaining, 112.089844 MB of memory in use. ENERGY: 619600 648.5055 1850.9989 1945.7351 107.5416 1.6827 -1084.5170 0.0000 0.0000 2758.4799 6228.4267 304.6818 3469.9468 6263.3421 298.8929 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: 2532.72, 0.00392444/step Wall: 2532.72, 0.00392444/step, 2.04965 hours remaining, 112.089844 MB of memory in use. ENERGY: 619800 663.1825 1866.5361 1963.7442 109.2838 -0.3206 -1042.7600 0.0000 0.0000 2722.9300 6282.5960 300.7552 3559.6660 6316.8078 301.9193 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: 2533.5, 0.00392496/step Wall: 2533.5, 0.00392496/step, 2.0497 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 620000 643.4172 1848.8906 1974.5728 112.0781 1.1176 -1069.7355 0.0000 0.0000 2710.0303 6220.3711 299.3304 3510.3408 6254.3174 301.9139 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 620000 WRITING COORDINATES TO DCD FILE MD.1.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: 2534.34, 0.0041951/step Wall: 2534.34, 0.0041951/step, 2.19054 hours remaining, 112.089844 MB of memory in use. ENERGY: 620200 661.2113 1853.0788 1961.9892 105.8806 0.2157 -1085.1202 0.0000 0.0000 2754.3037 6251.5593 304.2205 3497.2555 6284.7331 302.0982 LDB: ============= START OF LOAD BALANCING ============== 2537.05 LDB: ============== END OF LOAD BALANCING =============== 2537.05 LDB: =============== DONE WITH MIGRATION ================ 2537.05 LDB: ============= START OF LOAD BALANCING ============== 2537.44 LDB: ============== END OF LOAD BALANCING =============== 2537.44 LDB: =============== DONE WITH MIGRATION ================ 2537.44 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: 2535.13, 0.00392766/step Wall: 2535.13, 0.00392766/step, 2.05067 hours remaining, 112.089844 MB of memory in use. ENERGY: 620400 664.8562 1859.3144 1957.0020 106.7216 0.8073 -1079.3360 0.0000 0.0000 2703.8028 6213.1683 298.6426 3509.3655 6243.8790 299.2921 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: 2535.91, 0.00392291/step Wall: 2535.91, 0.00392291/step, 2.04798 hours remaining, 112.089844 MB of memory in use. ENERGY: 620600 662.0925 1856.1073 1991.4919 120.4837 1.2469 -1088.7312 0.0000 0.0000 2728.6817 6271.3729 301.3905 3542.6912 6305.6363 300.4223 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: 2536.7, 0.00392447/step Wall: 2536.7, 0.00392447/step, 2.04857 hours remaining, 112.089844 MB of memory in use. ENERGY: 620800 677.5509 1834.1008 1974.0109 114.9085 2.6723 -1063.8708 0.0000 0.0000 2715.4185 6254.7912 299.9255 3539.3726 6284.4893 300.9905 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: 2537.48, 0.00392479/step Wall: 2537.48, 0.00392479/step, 2.04852 hours remaining, 112.089844 MB of memory in use. ENERGY: 621000 668.7478 1838.7271 1997.9082 118.3026 1.2190 -1058.6031 0.0000 0.0000 2711.9192 6278.2208 299.5390 3566.3016 6312.3739 303.3931 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: 2538.27, 0.00391623/step Wall: 2538.27, 0.00391623/step, 2.04383 hours remaining, 112.089844 MB of memory in use. ENERGY: 621200 677.8085 1851.7537 1984.3901 112.8624 1.4838 -1077.2626 0.0000 0.0000 2691.2883 6242.3240 297.2603 3551.0358 6277.3138 303.2908 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: 2539.05, 0.00392378/step Wall: 2539.05, 0.00392378/step, 2.04756 hours remaining, 112.089844 MB of memory in use. ENERGY: 621400 638.7247 1856.0269 1957.9496 119.3010 1.8304 -1042.5297 0.0000 0.0000 2718.7624 6250.0653 300.2949 3531.3029 6282.8513 299.5247 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: 2539.84, 0.00392321/step Wall: 2539.84, 0.00392321/step, 2.04704 hours remaining, 112.089844 MB of memory in use. ENERGY: 621600 684.4894 1823.6893 1957.4492 111.8713 2.4894 -1071.4966 0.0000 0.0000 2742.3047 6250.7967 302.8952 3508.4920 6283.9535 302.4957 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: 2540.62, 0.00392397/step Wall: 2540.62, 0.00392397/step, 2.04722 hours remaining, 112.089844 MB of memory in use. ENERGY: 621800 652.5598 1747.5201 1980.5944 117.9351 0.5056 -1076.3195 0.0000 0.0000 2766.3366 6189.1321 305.5496 3422.7955 6227.2865 301.3656 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: 2541.4, 0.00391623/step Wall: 2541.4, 0.00391623/step, 2.04297 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 622000 649.7935 1878.3006 2003.0708 111.6556 -0.4356 -1111.6448 0.0000 0.0000 2721.1969 6251.9370 300.5638 3530.7401 6286.0012 300.2361 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: 2542.19, 0.00392229/step Wall: 2542.19, 0.00392229/step, 2.04591 hours remaining, 112.089844 MB of memory in use. ENERGY: 622200 651.2598 1846.8177 1974.4350 106.5047 0.0214 -1132.0177 0.0000 0.0000 2769.4981 6216.5190 305.8988 3447.0210 6249.8069 303.5288 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: 2542.97, 0.00392294/step Wall: 2542.97, 0.00392294/step, 2.04603 hours remaining, 112.089844 MB of memory in use. ENERGY: 622400 684.6218 1840.2985 1967.0521 102.0162 -0.5381 -1094.0288 0.0000 0.0000 2723.3028 6222.7245 300.7964 3499.4217 6254.9162 301.0220 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: 2543.76, 0.00392288/step Wall: 2543.76, 0.00392288/step, 2.04578 hours remaining, 112.089844 MB of memory in use. ENERGY: 622600 650.9418 1845.0010 1969.5753 114.1088 1.8437 -1089.6972 0.0000 0.0000 2744.6709 6236.4443 303.1565 3491.7734 6271.1190 300.0922 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: 2544.54, 0.00392388/step Wall: 2544.54, 0.00392388/step, 2.04609 hours remaining, 112.089844 MB of memory in use. ENERGY: 622800 656.8033 1850.1566 1976.7734 105.7835 0.8733 -1103.9943 0.0000 0.0000 2736.2951 6222.6908 302.2314 3486.3957 6257.0905 300.0981 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: 2545.33, 0.00391596/step Wall: 2545.33, 0.00391596/step, 2.04174 hours remaining, 112.089844 MB of memory in use. ENERGY: 623000 647.2525 1898.0055 1973.8558 106.3417 0.5141 -1076.0331 0.0000 0.0000 2687.8942 6237.8307 296.8854 3549.9365 6271.1097 301.4130 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: 2546.11, 0.00392125/step Wall: 2546.11, 0.00392124/step, 2.04427 hours remaining, 112.089844 MB of memory in use. ENERGY: 623200 661.9257 1807.3661 2002.5234 99.0063 0.4203 -1124.0826 0.0000 0.0000 2751.2192 6198.3784 303.8798 3447.1592 6233.1508 301.5852 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: 2546.89, 0.0039216/step Wall: 2546.89, 0.0039216/step, 2.04424 hours remaining, 112.089844 MB of memory in use. ENERGY: 623400 677.5170 1813.9221 1960.1100 97.8439 1.3690 -1081.3532 0.0000 0.0000 2732.6701 6202.0790 301.8310 3469.4088 6235.0440 300.2171 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: 2547.68, 0.00392283/step Wall: 2547.68, 0.00392283/step, 2.04467 hours remaining, 112.089844 MB of memory in use. ENERGY: 623600 637.9563 1838.4327 1985.7867 117.6047 0.8893 -1064.1179 0.0000 0.0000 2693.2777 6209.8295 297.4800 3516.5518 6243.6148 299.5555 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: 2548.46, 0.00391774/step Wall: 2548.46, 0.00391774/step, 2.0418 hours remaining, 112.089844 MB of memory in use. ENERGY: 623800 644.5232 1831.6896 1975.6525 117.0813 1.6185 -1098.7841 0.0000 0.0000 2750.3548 6222.1358 303.7844 3471.7810 6258.8957 300.3560 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: 2549.25, 0.00392255/step Wall: 2549.25, 0.00392255/step, 2.04408 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 624000 658.3962 1864.6210 1956.7316 92.8142 0.7376 -1098.6182 0.0000 0.0000 2702.2049 6176.8873 298.4661 3474.6824 6206.5813 300.4481 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: 2550.03, 0.00392255/step Wall: 2550.03, 0.00392255/step, 2.04387 hours remaining, 112.089844 MB of memory in use. ENERGY: 624200 652.6083 1842.2421 1953.5417 120.3772 0.6319 -1090.5918 0.0000 0.0000 2686.8163 6165.6257 296.7663 3478.8094 6197.4129 298.2544 LDB: ============= START OF LOAD BALANCING ============== 2552.73 LDB: ============== END OF LOAD BALANCING =============== 2552.73 LDB: =============== DONE WITH MIGRATION ================ 2552.73 LDB: ============= START OF LOAD BALANCING ============== 2553.13 LDB: ============== END OF LOAD BALANCING =============== 2553.13 LDB: =============== DONE WITH MIGRATION ================ 2553.13 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: 2550.82, 0.00392753/step Wall: 2550.82, 0.00392753/step, 2.04624 hours remaining, 112.089844 MB of memory in use. ENERGY: 624400 684.5869 1796.2357 1946.7003 116.1580 0.2513 -1109.9339 0.0000 0.0000 2735.5975 6169.5959 302.1544 3433.9984 6203.4123 297.2617 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: 2551.6, 0.00392241/step Wall: 2551.6, 0.00392241/step, 2.04336 hours remaining, 112.089844 MB of memory in use. ENERGY: 624600 661.0676 1865.3738 1952.1597 110.9591 1.6149 -1101.9341 0.0000 0.0000 2661.8546 6151.0956 294.0093 3489.2410 6181.1504 298.0240 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: 2552.38, 0.00391703/step Wall: 2552.38, 0.00391704/step, 2.04034 hours remaining, 112.089844 MB of memory in use. ENERGY: 624800 669.7764 1842.3930 1982.8462 106.8469 1.4631 -1115.4548 0.0000 0.0000 2687.1468 6175.0175 296.8029 3487.8707 6205.8591 298.1026 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: 2553.17, 0.00392172/step Wall: 2553.17, 0.00392172/step, 2.04256 hours remaining, 112.089844 MB of memory in use. ENERGY: 625000 669.7482 1834.2721 1991.8992 118.6066 2.3068 -1105.2453 0.0000 0.0000 2661.9602 6173.5477 294.0209 3511.5875 6204.6243 297.1218 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: 2553.95, 0.00392251/step Wall: 2553.95, 0.00392251/step, 2.04276 hours remaining, 112.089844 MB of memory in use. ENERGY: 625200 635.6054 1895.9784 1967.4826 104.7467 1.4141 -1115.0502 0.0000 0.0000 2689.1063 6179.2833 297.0193 3490.1770 6212.7166 297.8283 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: 2554.74, 0.00392355/step Wall: 2554.74, 0.00392355/step, 2.04308 hours remaining, 112.089844 MB of memory in use. ENERGY: 625400 664.8303 1842.6341 1961.2781 101.2187 1.3215 -1094.8607 0.0000 0.0000 2717.0544 6193.4764 300.1062 3476.4220 6224.8148 297.8550 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: 2555.52, 0.00392223/step Wall: 2555.52, 0.00392223/step, 2.04218 hours remaining, 112.089844 MB of memory in use. ENERGY: 625600 678.4242 1831.2663 1960.8076 112.5889 2.0380 -1115.3311 0.0000 0.0000 2708.3689 6178.1628 299.1469 3469.7939 6210.7651 298.6381 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: 2556.31, 0.00391464/step Wall: 2556.31, 0.00391464/step, 2.03801 hours remaining, 112.089844 MB of memory in use. ENERGY: 625800 633.5656 1874.6196 1957.5965 111.2569 1.4418 -1138.9526 0.0000 0.0000 2721.7512 6161.2790 300.6250 3439.5278 6194.1556 297.4146 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: 2557.09, 0.00392798/step Wall: 2557.09, 0.00392798/step, 2.04473 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 626000 651.1173 1802.5975 1983.2766 105.2419 1.0998 -1112.2971 0.0000 0.0000 2687.5933 6118.6295 296.8522 3431.0362 6153.0299 295.8318 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: 2557.88, 0.00392392/step Wall: 2557.88, 0.00392392/step, 2.0424 hours remaining, 112.089844 MB of memory in use. ENERGY: 626200 638.2979 1826.4460 1981.8904 114.9669 2.5605 -1135.7122 0.0000 0.0000 2667.9316 6096.3811 294.6805 3428.4495 6130.4183 294.9460 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: 2558.66, 0.00392409/step Wall: 2558.66, 0.00392409/step, 2.04227 hours remaining, 112.089844 MB of memory in use. ENERGY: 626400 677.2833 1823.9319 1966.0660 109.3506 0.9779 -1065.9029 0.0000 0.0000 2622.1940 6133.9007 289.6286 3511.7067 6163.2123 295.9718 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: 2559.44, 0.00391576/step Wall: 2559.44, 0.00391576/step, 2.03772 hours remaining, 112.089844 MB of memory in use. ENERGY: 626600 636.3562 1856.3608 1984.0878 112.2919 2.9321 -1103.3838 0.0000 0.0000 2657.1493 6145.7942 293.4895 3488.6449 6179.6060 295.2368 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: 2560.23, 0.0039222/step Wall: 2560.23, 0.0039222/step, 2.04085 hours remaining, 112.089844 MB of memory in use. ENERGY: 626800 646.8670 1895.5207 1999.6851 107.9529 2.2776 -1127.1187 0.0000 0.0000 2675.0107 6200.1954 295.4624 3525.1846 6232.2932 298.2657 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: 2561.01, 0.00392482/step Wall: 2561.01, 0.00392482/step, 2.042 hours remaining, 112.089844 MB of memory in use. ENERGY: 627000 652.7426 1855.9241 1994.1385 106.8476 -0.0022 -1108.3305 0.0000 0.0000 2661.2174 6162.5375 293.9389 3501.3201 6192.4048 298.4198 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: 2561.8, 0.0039228/step Wall: 2561.8, 0.0039228/step, 2.04073 hours remaining, 112.089844 MB of memory in use. ENERGY: 627200 643.1680 1826.6327 1970.7166 104.0974 2.2365 -1081.7964 0.0000 0.0000 2712.9336 6177.9883 299.6511 3465.0547 6211.5881 298.5267 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: 2562.58, 0.00392316/step Wall: 2562.58, 0.00392316/step, 2.0407 hours remaining, 112.089844 MB of memory in use. ENERGY: 627400 662.3605 1878.2818 1956.0869 112.7771 2.7546 -1131.1070 0.0000 0.0000 2682.6432 6163.7971 296.3054 3481.1539 6194.9110 298.8393 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: 2563.37, 0.00391852/step Wall: 2563.37, 0.00391852/step, 2.03807 hours remaining, 112.089844 MB of memory in use. ENERGY: 627600 660.2077 1856.7749 1962.1982 114.5769 3.4307 -1127.5988 0.0000 0.0000 2727.5158 6197.1052 301.2617 3469.5894 6230.1396 299.4919 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: 2564.15, 0.00392144/step Wall: 2564.15, 0.00392144/step, 2.03937 hours remaining, 112.089844 MB of memory in use. ENERGY: 627800 662.9588 1862.0962 1953.5917 115.4018 2.9737 -1082.3221 0.0000 0.0000 2654.5437 6169.2439 293.2018 3514.7002 6202.6466 300.1828 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: 2564.93, 0.00392321/step Wall: 2564.93, 0.00392321/step, 2.04007 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 628000 668.7528 1854.4275 1944.2207 105.6400 2.7646 -1077.8294 0.0000 0.0000 2674.7021 6172.6784 295.4283 3497.9763 6201.6822 299.1195 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: 2565.72, 0.00392356/step Wall: 2565.72, 0.00392356/step, 2.04003 hours remaining, 112.089844 MB of memory in use. ENERGY: 628200 659.1425 1873.8995 1939.2723 108.7484 1.0008 -1123.3250 0.0000 0.0000 2700.8322 6159.5708 298.3144 3458.7386 6191.3765 298.8416 LDB: ============= START OF LOAD BALANCING ============== 2568.42 LDB: ============== END OF LOAD BALANCING =============== 2568.42 LDB: =============== DONE WITH MIGRATION ================ 2568.42 LDB: ============= START OF LOAD BALANCING ============== 2568.81 LDB: ============== END OF LOAD BALANCING =============== 2568.81 LDB: =============== DONE WITH MIGRATION ================ 2568.81 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: 2566.5, 0.00392215/step Wall: 2566.5, 0.00392215/step, 2.03908 hours remaining, 112.089844 MB of memory in use. ENERGY: 628400 672.2709 1827.4397 1940.3306 117.2153 2.1929 -1095.5355 0.0000 0.0000 2699.0534 6162.9673 298.1180 3463.9139 6195.7486 296.9617 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: 2567.29, 0.0039229/step Wall: 2567.29, 0.0039229/step, 2.03925 hours remaining, 112.089844 MB of memory in use. ENERGY: 628600 604.6054 1830.8742 1929.5626 99.8455 2.1809 -1094.7821 0.0000 0.0000 2716.2537 6088.5402 300.0178 3372.2865 6124.5430 297.1566 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: 2568.07, 0.00392483/step Wall: 2568.07, 0.00392483/step, 2.04004 hours remaining, 112.089844 MB of memory in use. ENERGY: 628800 661.3385 1818.1624 1934.6792 108.5796 1.9502 -1117.6882 0.0000 0.0000 2679.2506 6086.2722 295.9307 3407.0217 6117.7025 294.1420 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: 2568.86, 0.00392576/step Wall: 2568.86, 0.00392576/step, 2.0403 hours remaining, 112.089844 MB of memory in use. ENERGY: 629000 617.2290 1840.4827 1958.1652 106.9523 2.0766 -1105.7946 0.0000 0.0000 2691.9642 6111.0755 297.3349 3419.1113 6143.9183 296.1654 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: 2569.64, 0.00392201/step Wall: 2569.64, 0.00392201/step, 2.03814 hours remaining, 112.089844 MB of memory in use. ENERGY: 629200 642.9105 1831.9784 1928.1299 108.7983 1.4353 -1107.6734 0.0000 0.0000 2723.2531 6128.8322 300.7909 3405.5790 6164.3036 296.8719 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: 2570.43, 0.00391673/step Wall: 2570.43, 0.00391673/step, 2.03518 hours remaining, 112.089844 MB of memory in use. ENERGY: 629400 639.2892 1895.4464 1942.3397 102.5651 3.3225 -1094.4727 0.0000 0.0000 2613.6975 6102.1876 288.6902 3488.4901 6131.6143 295.1727 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: 2571.21, 0.00392183/step Wall: 2571.21, 0.00392183/step, 2.03761 hours remaining, 112.089844 MB of memory in use. ENERGY: 629600 660.0810 1791.5278 1955.6198 96.8649 1.5009 -1105.2844 0.0000 0.0000 2743.4543 6143.7642 303.0222 3400.3099 6178.5005 295.5370 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: 2572, 0.00392389/step Wall: 2572, 0.00392389/step, 2.03846 hours remaining, 112.089844 MB of memory in use. ENERGY: 629800 652.8831 1845.7312 1974.0717 112.0419 0.9142 -1110.9938 0.0000 0.0000 2705.7630 6180.4113 298.8591 3474.6483 6214.6365 297.2951 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: 2572.78, 0.00392182/step Wall: 2572.78, 0.00392182/step, 2.03717 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 630000 661.3136 1845.2200 1959.9638 108.6287 1.1917 -1111.9898 0.0000 0.0000 2717.0067 6181.3348 300.1010 3464.3281 6211.3870 299.5885 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 630000 WRITING COORDINATES TO DCD FILE MD.1.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: 2573.62, 0.0042233/step Wall: 2573.62, 0.00422329/step, 2.19353 hours remaining, 112.089844 MB of memory in use. ENERGY: 630200 643.8093 1857.4041 1965.5546 110.7744 1.5095 -1081.8983 0.0000 0.0000 2686.8189 6183.9724 296.7666 3497.1536 6216.2218 300.2591 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: 2574.41, 0.00391604/step Wall: 2574.41, 0.00391604/step, 2.03373 hours remaining, 112.089844 MB of memory in use. ENERGY: 630400 649.3209 1888.2033 1971.9364 110.4340 0.4680 -1137.5866 0.0000 0.0000 2700.3325 6183.1084 298.2592 3482.7760 6215.4309 299.2977 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: 2575.19, 0.00392236/step Wall: 2575.19, 0.00392236/step, 2.0368 hours remaining, 112.089844 MB of memory in use. ENERGY: 630600 658.9416 1885.4969 1936.3997 98.2298 1.5630 -1135.7082 0.0000 0.0000 2669.1363 6114.0591 294.8135 3444.9228 6147.5588 299.1217 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: 2575.98, 0.00392358/step Wall: 2575.98, 0.00392358/step, 2.03721 hours remaining, 112.089844 MB of memory in use. ENERGY: 630800 655.6888 1826.1606 1969.1091 114.3273 2.3557 -1090.9717 0.0000 0.0000 2685.3714 6162.0412 296.6068 3476.6698 6195.3620 296.0201 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: 2576.76, 0.00392466/step Wall: 2576.76, 0.00392466/step, 2.03755 hours remaining, 112.089844 MB of memory in use. ENERGY: 631000 677.8756 1878.7655 1933.3693 117.8499 2.1899 -1087.2614 0.0000 0.0000 2654.6621 6177.4509 293.2148 3522.7888 6205.6029 297.6539 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: 2577.55, 0.00391708/step Wall: 2577.55, 0.00391708/step, 2.0334 hours remaining, 112.089844 MB of memory in use. ENERGY: 631200 646.0269 1827.2302 1913.8760 108.4314 1.5117 -1120.5249 0.0000 0.0000 2742.5495 6119.1007 302.9222 3376.5512 6155.7488 297.1286 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: 2578.33, 0.00392279/step Wall: 2578.33, 0.00392279/step, 2.03615 hours remaining, 112.089844 MB of memory in use. ENERGY: 631400 643.8583 1854.2456 1929.9480 104.1311 2.1286 -1089.0086 0.0000 0.0000 2658.2497 6103.5528 293.6111 3445.3030 6135.3222 296.7667 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: 2579.11, 0.00392136/step Wall: 2579.11, 0.00392136/step, 2.03519 hours remaining, 112.089844 MB of memory in use. ENERGY: 631600 636.4199 1835.0416 1930.2989 103.7309 1.6080 -1118.5766 0.0000 0.0000 2737.4088 6125.9315 302.3544 3388.5227 6159.9379 296.0300 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: 2579.9, 0.00392282/step Wall: 2579.9, 0.00392282/step, 2.03573 hours remaining, 112.089844 MB of memory in use. ENERGY: 631800 686.5127 1846.1290 1958.4125 104.9750 0.9179 -1143.5676 0.0000 0.0000 2672.1047 6125.4841 295.1414 3453.3795 6161.2848 298.0673 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: 2580.68, 0.0039224/step Wall: 2580.68, 0.0039224/step, 2.03529 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 632000 607.7634 1793.4096 1951.5128 94.5971 1.9733 -1113.7716 0.0000 0.0000 2762.6062 6098.0910 305.1376 3335.4848 6134.2178 297.6647 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: 2581.47, 0.00391602/step Wall: 2581.47, 0.00391602/step, 2.03176 hours remaining, 112.089844 MB of memory in use. ENERGY: 632200 661.5515 1871.3178 1924.4001 105.9251 1.0558 -1055.6507 0.0000 0.0000 2656.3869 6164.9865 293.4053 3508.5996 6198.4218 297.0796 LDB: ============= START OF LOAD BALANCING ============== 2584.17 LDB: ============== END OF LOAD BALANCING =============== 2584.17 LDB: =============== DONE WITH MIGRATION ================ 2584.17 LDB: ============= START OF LOAD BALANCING ============== 2584.56 LDB: ============== END OF LOAD BALANCING =============== 2584.56 LDB: =============== DONE WITH MIGRATION ================ 2584.56 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: 2582.25, 0.0039254/step Wall: 2582.25, 0.0039254/step, 2.03641 hours remaining, 112.089844 MB of memory in use. ENERGY: 632400 670.6504 1862.8656 1928.9205 116.9529 1.2816 -1075.0336 0.0000 0.0000 2646.8744 6152.5118 292.3546 3505.6374 6184.5802 296.9149 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: 2583.04, 0.00392338/step Wall: 2583.04, 0.00392338/step, 2.03514 hours remaining, 112.089844 MB of memory in use. ENERGY: 632600 638.8589 1880.9197 1942.3518 98.7229 0.3156 -1079.2536 0.0000 0.0000 2670.7225 6152.6378 294.9887 3481.9153 6188.3786 298.4369 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: 2583.82, 0.00392155/step Wall: 2583.82, 0.00392155/step, 2.03398 hours remaining, 112.089844 MB of memory in use. ENERGY: 632800 651.9293 1853.1160 1930.8598 98.7164 1.1464 -1095.9134 0.0000 0.0000 2739.2666 6179.1210 302.5596 3439.8544 6213.0713 299.5323 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: 2584.61, 0.00392455/step Wall: 2584.61, 0.00392455/step, 2.03532 hours remaining, 112.089844 MB of memory in use. ENERGY: 633000 642.5053 1906.7666 1948.5083 109.8339 2.8267 -1092.7388 0.0000 0.0000 2691.1868 6208.8888 297.2491 3517.7019 6242.7165 298.7469 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: 2585.39, 0.00391572/step Wall: 2585.39, 0.00391572/step, 2.03052 hours remaining, 112.089844 MB of memory in use. ENERGY: 633200 641.0650 1791.6442 1923.2102 114.5678 2.4416 -1066.3786 0.0000 0.0000 2772.1707 6178.7210 306.1940 3406.5503 6216.5751 299.9992 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: 2586.17, 0.00393053/step Wall: 2586.17, 0.00393053/step, 2.03798 hours remaining, 112.089844 MB of memory in use. ENERGY: 633400 648.8016 1872.9252 1955.7456 110.1182 2.2662 -1073.3329 0.0000 0.0000 2656.6027 6173.1266 293.4292 3516.5239 6206.5067 298.2297 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: 2586.96, 0.0039262/step Wall: 2586.96, 0.0039262/step, 2.03552 hours remaining, 112.089844 MB of memory in use. ENERGY: 633600 675.2069 1816.0113 1961.7072 122.3253 2.1788 -1083.5755 0.0000 0.0000 2697.1180 6190.9719 297.9042 3493.8539 6222.7191 299.9493 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: 2587.74, 0.00392432/step Wall: 2587.74, 0.00392432/step, 2.03432 hours remaining, 112.089844 MB of memory in use. ENERGY: 633800 632.8701 1830.5445 1960.4818 112.4200 2.6283 -1088.8335 0.0000 0.0000 2728.7250 6178.8362 301.3953 3450.1112 6214.8259 299.4300 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: 2588.53, 0.00391683/step Wall: 2588.53, 0.00391683/step, 2.03022 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 634000 662.6091 1801.1033 1963.5760 109.1481 2.3169 -1083.3746 0.0000 0.0000 2704.1798 6159.5586 298.6842 3455.3788 6192.7850 299.7813 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: 2589.31, 0.00392197/step Wall: 2589.31, 0.00392197/step, 2.03267 hours remaining, 112.089844 MB of memory in use. ENERGY: 634200 640.1111 1861.4965 1963.1939 105.2217 2.2768 -1100.7823 0.0000 0.0000 2695.4533 6166.9710 297.7203 3471.5176 6202.6906 299.0283 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: 2590.1, 0.00392113/step Wall: 2590.1, 0.00392113/step, 2.03202 hours remaining, 112.089844 MB of memory in use. ENERGY: 634400 650.5689 1850.3924 1962.3961 103.4181 1.3834 -1099.8517 0.0000 0.0000 2712.8384 6181.1456 299.6406 3468.3072 6210.6265 299.5852 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: 2590.88, 0.00392058/step Wall: 2590.88, 0.00392058/step, 2.03151 hours remaining, 112.089844 MB of memory in use. ENERGY: 634600 642.7377 1849.3037 1975.1678 108.1171 1.1326 -1085.3900 0.0000 0.0000 2723.8381 6214.9070 300.8555 3491.0689 6245.6817 301.5215 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: 2591.66, 0.00391948/step Wall: 2591.66, 0.00391948/step, 2.03073 hours remaining, 112.089844 MB of memory in use. ENERGY: 634800 636.8452 1846.6636 1952.0466 98.0407 1.9018 -1106.6559 0.0000 0.0000 2711.3309 6140.1728 299.4741 3428.8419 6176.6579 299.6838 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: 2592.45, 0.00391557/step Wall: 2592.45, 0.00391557/step, 2.02848 hours remaining, 112.089844 MB of memory in use. ENERGY: 635000 669.9818 1844.8606 1966.9818 104.8194 2.2988 -1121.9900 0.0000 0.0000 2680.2264 6147.1788 296.0385 3466.9525 6181.8689 297.7927 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: 2593.23, 0.00392115/step Wall: 2593.23, 0.00392115/step, 2.03116 hours remaining, 112.089844 MB of memory in use. ENERGY: 635200 659.1581 1882.8048 1967.9338 105.4654 1.6467 -1096.2162 0.0000 0.0000 2632.3455 6153.1382 290.7499 3520.7926 6182.1324 296.9455 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: 2594.02, 0.00392265/step Wall: 2594.02, 0.00392265/step, 2.03172 hours remaining, 112.089844 MB of memory in use. ENERGY: 635400 647.9236 1834.5594 1941.2408 104.7225 2.1317 -1104.4794 0.0000 0.0000 2756.9603 6183.0590 304.5139 3426.0987 6214.7418 299.0859 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: 2594.8, 0.00392244/step Wall: 2594.8, 0.00392244/step, 2.03139 hours remaining, 112.089844 MB of memory in use. ENERGY: 635600 687.8084 1881.4658 1953.8863 104.2694 1.5342 -1115.0089 0.0000 0.0000 2724.8007 6238.7559 300.9618 3513.9552 6269.4216 301.9330 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: 2595.58, 0.00391769/step Wall: 2595.58, 0.00391769/step, 2.02871 hours remaining, 112.089844 MB of memory in use. ENERGY: 635800 641.6157 1889.8730 1963.0171 110.8890 1.5252 -1102.8157 0.0000 0.0000 2685.1305 6189.2348 296.5801 3504.1043 6223.9320 300.7780 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: 2596.37, 0.00391858/step Wall: 2596.37, 0.00391858/step, 2.02896 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 636000 633.3409 1878.7976 1942.4341 104.3660 2.3078 -1079.1769 0.0000 0.0000 2713.1475 6195.2169 299.6747 3482.0695 6227.9123 301.5040 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: 2597.15, 0.0039283/step Wall: 2597.15, 0.0039283/step, 2.03377 hours remaining, 112.089844 MB of memory in use. ENERGY: 636200 647.2609 1881.8696 1988.4314 92.0711 2.3941 -1132.8548 0.0000 0.0000 2721.7711 6200.9433 300.6272 3479.1722 6232.2876 299.8277 LDB: ============= START OF LOAD BALANCING ============== 2599.85 LDB: ============== END OF LOAD BALANCING =============== 2599.85 LDB: =============== DONE WITH MIGRATION ================ 2599.86 LDB: ============= START OF LOAD BALANCING ============== 2600.25 LDB: ============== END OF LOAD BALANCING =============== 2600.25 LDB: =============== DONE WITH MIGRATION ================ 2600.25 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: 2597.94, 0.00392529/step Wall: 2597.94, 0.00392529/step, 2.03199 hours remaining, 112.089844 MB of memory in use. ENERGY: 636400 626.3997 1868.4337 1973.2633 97.4738 1.1804 -1122.1228 0.0000 0.0000 2801.5857 6246.2138 309.4429 3444.6281 6279.8998 300.5215 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: 2598.72, 0.00392162/step Wall: 2598.72, 0.00392162/step, 2.02987 hours remaining, 112.089844 MB of memory in use. ENERGY: 636600 660.7454 1894.6245 1941.7536 111.3976 1.3933 -1114.5401 0.0000 0.0000 2740.3686 6235.7429 302.6813 3495.3743 6266.2929 303.7339 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: 2599.51, 0.00391724/step Wall: 2599.51, 0.00391724/step, 2.02739 hours remaining, 112.089844 MB of memory in use. ENERGY: 636800 671.3269 1828.5902 1967.9615 106.0708 1.0848 -1112.1705 0.0000 0.0000 2746.6168 6209.4806 303.3715 3462.8638 6243.1203 301.1645 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: 2600.29, 0.00392026/step Wall: 2600.29, 0.00392027/step, 2.02874 hours remaining, 112.089844 MB of memory in use. ENERGY: 637000 675.2924 1837.2446 1987.0649 106.5035 1.1575 -1136.9236 0.0000 0.0000 2722.3424 6192.6817 300.6903 3470.3393 6226.2292 299.0575 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: 2601.08, 0.00392046/step Wall: 2601.08, 0.00392046/step, 2.02862 hours remaining, 112.089844 MB of memory in use. ENERGY: 637200 678.9379 1846.2987 1926.5963 96.4164 -0.1509 -1067.0206 0.0000 0.0000 2755.9841 6237.0619 304.4061 3481.0778 6271.8799 301.4106 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: 2601.86, 0.00391968/step Wall: 2601.86, 0.00391968/step, 2.028 hours remaining, 112.089844 MB of memory in use. ENERGY: 637400 667.0134 1872.3588 1937.6838 118.8083 1.1586 -1081.6899 0.0000 0.0000 2749.3874 6264.7205 303.6775 3515.3331 6297.9244 304.5583 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: 2602.64, 0.00392089/step Wall: 2602.64, 0.00392089/step, 2.0284 hours remaining, 112.089844 MB of memory in use. ENERGY: 637600 662.1771 1866.7129 1966.6329 101.3150 0.0067 -1093.1652 0.0000 0.0000 2748.4943 6252.1739 303.5789 3503.6795 6289.7537 302.6611 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: 2603.43, 0.00391665/step Wall: 2603.43, 0.00391666/step, 2.026 hours remaining, 112.089844 MB of memory in use. ENERGY: 637800 702.3074 1905.4785 1953.4785 111.9339 1.2576 -1085.4275 0.0000 0.0000 2671.0634 6260.0918 295.0264 3589.0284 6290.1991 303.4347 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: 2604.21, 0.00392082/step Wall: 2604.21, 0.00392081/step, 2.02793 hours remaining, 112.089844 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 638000 666.6105 1866.2183 1943.3050 113.6195 2.2725 -1074.3200 0.0000 0.0000 2752.4557 6270.1616 304.0164 3517.7058 6303.6899 304.2287 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: 2605, 0.00392228/step Wall: 2605, 0.00392228/step, 2.02847 hours remaining, 112.089844 MB of memory in use. ENERGY: 638200 689.7870 1900.4720 1973.0474 102.8435 0.7912 -1098.0992 0.0000 0.0000 2713.3612 6282.2032 299.6983 3568.8419 6318.2194 303.1947 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: 2605.78, 0.00392134/step Wall: 2605.78, 0.00392134/step, 2.02777 hours remaining, 112.089844 MB of memory in use. ENERGY: 638400 665.6325 1837.1967 1957.6549 107.9856 0.8795 -1092.8961 0.0000 0.0000 2767.3725 6243.8256 305.6640 3476.4531 6279.0391 303.8018 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: 2606.56, 0.00391648/step Wall: 2606.56, 0.00391648/step, 2.02504 hours remaining, 112.089844 MB of memory in use. ENERGY: 638600 685.6607 1882.4596 1953.2666 91.5094 2.5319 -1093.4027 0.0000 0.0000 2726.1540 6248.1794 301.1113 3522.0254 6282.2471 303.3688 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: 2607.35, 0.0039207/step Wall: 2607.35, 0.0039207/step, 2.027 hours remaining, 112.089844 MB of memory in use. ENERGY: 638800 653.0640 1876.9387 1986.2922 116.5793 0.9049 -1114.3888 0.0000 0.0000 2759.6321 6279.0225 304.8091 3519.3904 6314.9506 303.1812 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: 2608.13, 0.00392228/step Wall: 2608.13, 0.00392228/step, 2.0276 hours remaining, 112.089844 MB of memory in use. ENERGY: 639000 694.3850 1855.6411 1960.9537 111.4780 -0.1053 -1104.8519 0.0000 0.0000 2695.4702 6212.9709 297.7222 3517.5007 6245.6253 303.3961 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: 2608.92, 0.00392287/step Wall: 2608.92, 0.00392287/step, 2.02769 hours remaining, 112.093750 MB of memory in use. ENERGY: 639200 666.7742 1876.1327 1943.3624 101.9958 0.9238 -1118.9325 0.0000 0.0000 2681.2253 6151.4817 296.1488 3470.2564 6183.8020 301.5238 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: 2609.7, 0.00392223/step Wall: 2609.7, 0.00392223/step, 2.02714 hours remaining, 112.093750 MB of memory in use. ENERGY: 639400 652.7627 1867.8987 1966.6133 107.6134 0.6998 -1116.3311 0.0000 0.0000 2669.9740 6149.2308 294.9061 3479.2567 6181.5199 298.3835 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: 2610.48, 0.00391602/step Wall: 2610.48, 0.00391602/step, 2.02371 hours remaining, 112.093750 MB of memory in use. ENERGY: 639600 636.5802 1764.3910 1953.3445 130.4148 2.1397 -1101.2579 0.0000 0.0000 2700.9501 6086.5623 298.3275 3385.6123 6120.0454 297.1712 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: 2611.27, 0.00392176/step Wall: 2611.27, 0.00392176/step, 2.02646 hours remaining, 112.093750 MB of memory in use. ENERGY: 639800 641.0306 1853.9655 1987.9993 109.8541 1.2919 -1124.3815 0.0000 0.0000 2628.9534 6098.7134 290.3752 3469.7600 6130.2576 294.8727 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: 2612.05, 0.00392286/step Wall: 2612.05, 0.00392286/step, 2.02681 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 640000 631.9647 1848.8236 1941.4362 97.8998 1.4843 -1135.2774 0.0000 0.0000 2712.9315 6099.2626 299.6508 3386.3311 6131.3379 295.8555 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 640000 WRITING COORDINATES TO DCD FILE MD.1.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: 2612.9, 0.00424979/step Wall: 2612.9, 0.00424979/step, 2.19549 hours remaining, 112.093750 MB of memory in use. ENERGY: 640200 634.6253 1844.3634 1928.1797 106.8943 2.2506 -1116.3028 0.0000 0.0000 2678.5579 6078.5684 295.8542 3400.0105 6112.6345 295.6324 LDB: ============= START OF LOAD BALANCING ============== 2615.6 LDB: ============== END OF LOAD BALANCING =============== 2615.6 LDB: =============== DONE WITH MIGRATION ================ 2615.6 LDB: ============= START OF LOAD BALANCING ============== 2616 LDB: ============== END OF LOAD BALANCING =============== 2616 LDB: =============== DONE WITH MIGRATION ================ 2616 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: 2613.69, 0.00392332/step Wall: 2613.69, 0.00392332/step, 2.02661 hours remaining, 112.093750 MB of memory in use. ENERGY: 640400 675.8204 1862.4753 1923.5355 109.5218 1.7522 -1121.8065 0.0000 0.0000 2682.9018 6134.2005 296.3340 3451.2987 6162.6158 295.5979 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: 2614.47, 0.00391595/step Wall: 2614.47, 0.00391595/step, 2.02259 hours remaining, 112.093750 MB of memory in use. ENERGY: 640600 644.6344 1819.2567 1949.7980 102.4576 0.7330 -1102.8193 0.0000 0.0000 2685.6251 6099.6855 296.6348 3414.0604 6135.6371 296.1821 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: 2615.25, 0.00391906/step Wall: 2615.25, 0.00391906/step, 2.02398 hours remaining, 112.093750 MB of memory in use. ENERGY: 640800 641.3236 1765.2708 1960.3805 109.5516 1.0876 -1093.6592 0.0000 0.0000 2686.0183 6069.9731 296.6782 3383.9549 6104.2638 293.6800 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: 2616.04, 0.00392075/step Wall: 2616.04, 0.00392075/step, 2.02463 hours remaining, 112.093750 MB of memory in use. ENERGY: 641000 668.7483 1816.0318 1934.1674 101.7264 1.2983 -1097.3168 0.0000 0.0000 2607.4784 6032.1338 288.0033 3424.6554 6063.3612 292.4861 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: 2616.82, 0.00392048/step Wall: 2616.82, 0.00392048/step, 2.02428 hours remaining, 112.093750 MB of memory in use. ENERGY: 641200 629.6194 1800.8551 1927.6735 112.7274 0.7059 -1101.6986 0.0000 0.0000 2668.2092 6038.0920 294.7111 3369.8827 6069.4307 292.8201 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: 2617.61, 0.00391937/step Wall: 2617.61, 0.00391937/step, 2.02348 hours remaining, 112.093750 MB of memory in use. ENERGY: 641400 623.2174 1865.5779 1947.2957 111.6708 0.6252 -1142.1426 0.0000 0.0000 2608.9572 6015.2017 288.1666 3406.2444 6049.0692 290.4324 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: 2618.39, 0.00392256/step Wall: 2618.39, 0.00392256/step, 2.02492 hours remaining, 112.093750 MB of memory in use. ENERGY: 641600 625.1319 1807.9051 1950.8988 108.7991 1.9262 -1081.2136 0.0000 0.0000 2608.0248 6021.4722 288.0636 3413.4475 6052.9600 291.7816 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: 2619.18, 0.00392408/step Wall: 2619.18, 0.00392408/step, 2.02548 hours remaining, 112.093750 MB of memory in use. ENERGY: 641800 639.0270 1813.0606 1949.4453 105.6323 0.7789 -1102.2664 0.0000 0.0000 2633.5616 6039.2392 290.8842 3405.6777 6072.0919 291.8442 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: 2619.96, 0.00392527/step Wall: 2619.96, 0.00392527/step, 2.02588 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 642000 624.4182 1809.9864 1955.3164 103.0490 0.4642 -1086.5898 0.0000 0.0000 2621.9682 6028.6127 289.6037 3406.6445 6061.0043 290.7883 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: 2620.75, 0.00392734/step Wall: 2620.75, 0.00392734/step, 2.02673 hours remaining, 112.093750 MB of memory in use. ENERGY: 642200 659.2007 1830.3558 1939.9703 106.2104 1.0018 -1139.2580 0.0000 0.0000 2573.7157 5971.1967 284.2741 3397.4810 5998.9195 289.2885 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: 2621.53, 0.00392073/step Wall: 2621.53, 0.00392073/step, 2.0231 hours remaining, 112.093750 MB of memory in use. ENERGY: 642400 624.7791 1808.3733 1946.7629 118.9367 0.2558 -1099.6283 0.0000 0.0000 2597.9627 5997.4422 286.9522 3399.4795 6026.9155 288.9990 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: 2622.32, 0.0039254/step Wall: 2622.32, 0.0039254/step, 2.02529 hours remaining, 112.093750 MB of memory in use. ENERGY: 642600 670.3046 1799.3279 1958.8965 108.9357 0.5379 -1112.0829 0.0000 0.0000 2662.3538 6088.2736 294.0644 3425.9198 6118.5679 293.5152 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: 2623.1, 0.00392557/step Wall: 2623.1, 0.00392557/step, 2.02516 hours remaining, 112.093750 MB of memory in use. ENERGY: 642800 650.0383 1840.5987 1958.9732 104.2151 0.6851 -1129.3384 0.0000 0.0000 2661.3218 6086.4937 293.9504 3425.1719 6120.2395 294.1437 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: 2623.89, 0.00392631/step Wall: 2623.89, 0.00392631/step, 2.02532 hours remaining, 112.093750 MB of memory in use. ENERGY: 643000 613.6724 1800.8594 1949.7299 106.0226 1.7275 -1121.6868 0.0000 0.0000 2686.6573 6036.9823 296.7488 3350.3250 6072.0765 292.7093 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: 2624.67, 0.00392478/step Wall: 2624.67, 0.00392478/step, 2.02432 hours remaining, 112.093750 MB of memory in use. ENERGY: 643200 661.3417 1810.2723 1971.0615 100.5689 -0.4553 -1099.9534 0.0000 0.0000 2666.9709 6109.8066 294.5744 3442.8357 6139.8762 293.7889 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: 2625.45, 0.00391659/step Wall: 2625.45, 0.00391659/step, 2.01987 hours remaining, 112.093750 MB of memory in use. ENERGY: 643400 678.3846 1853.0009 1949.7775 103.9008 1.0295 -1149.3968 0.0000 0.0000 2717.3233 6154.0198 300.1359 3436.6965 6187.1062 296.7503 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: 2626.24, 0.00392309/step Wall: 2626.24, 0.00392309/step, 2.02301 hours remaining, 112.093750 MB of memory in use. ENERGY: 643600 623.0671 1840.1061 1959.3339 110.8621 0.7125 -1103.5257 0.0000 0.0000 2713.5807 6144.1366 299.7225 3430.5559 6176.4414 298.3043 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: 2627.02, 0.00392377/step Wall: 2627.02, 0.00392377/step, 2.02314 hours remaining, 112.093750 MB of memory in use. ENERGY: 643800 662.3864 1834.1138 1975.8242 121.4580 1.8516 -1148.2674 0.0000 0.0000 2713.0307 6160.3973 299.6618 3447.3666 6192.6578 297.6243 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: 2627.81, 0.00392403/step Wall: 2627.81, 0.00392403/step, 2.02305 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 644000 647.3230 1878.3259 1959.9700 106.5689 2.7318 -1119.4995 0.0000 0.0000 2704.3105 6179.7307 298.6986 3475.4201 6208.7558 298.2306 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: 2628.59, 0.00391772/step Wall: 2628.59, 0.00391772/step, 2.01958 hours remaining, 112.093750 MB of memory in use. ENERGY: 644200 640.7832 1879.3920 1964.7385 123.0623 1.7872 -1115.5082 0.0000 0.0000 2723.5956 6217.8505 300.8287 3494.2549 6252.3424 300.2784 LDB: ============= START OF LOAD BALANCING ============== 2631.29 LDB: ============== END OF LOAD BALANCING =============== 2631.29 LDB: =============== DONE WITH MIGRATION ================ 2631.29 LDB: ============= START OF LOAD BALANCING ============== 2631.69 LDB: ============== END OF LOAD BALANCING =============== 2631.69 LDB: =============== DONE WITH MIGRATION ================ 2631.69 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: 2629.38, 0.00392819/step Wall: 2629.38, 0.00392819/step, 2.02476 hours remaining, 112.093750 MB of memory in use. ENERGY: 644400 670.4315 1879.2033 1966.7559 111.6289 2.2984 -1143.4567 0.0000 0.0000 2707.5048 6194.3660 299.0514 3486.8612 6225.7681 301.0986 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: 2630.16, 0.00392283/step Wall: 2630.16, 0.00392283/step, 2.02178 hours remaining, 112.093750 MB of memory in use. ENERGY: 644600 659.4725 1846.7737 1957.6463 98.0018 1.5747 -1076.6761 0.0000 0.0000 2739.3380 6226.1308 302.5675 3486.7928 6260.0516 300.2224 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: 2630.95, 0.00392295/step Wall: 2630.95, 0.00392295/step, 2.02163 hours remaining, 112.093750 MB of memory in use. ENERGY: 644800 681.4490 1856.5255 1975.7051 106.9804 0.8166 -1116.3728 0.0000 0.0000 2702.7587 6207.8625 298.5272 3505.1038 6241.1624 301.7366 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: 2631.73, 0.00392369/step Wall: 2631.73, 0.00392368/step, 2.02179 hours remaining, 112.093750 MB of memory in use. ENERGY: 645000 637.6045 1881.1555 1963.4734 102.0714 1.4615 -1101.4469 0.0000 0.0000 2752.7575 6237.0769 304.0497 3484.3194 6273.2657 302.1852 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: 2632.51, 0.00391762/step Wall: 2632.51, 0.00391763/step, 2.01845 hours remaining, 112.093750 MB of memory in use. ENERGY: 645200 652.9979 1860.0774 1968.2118 104.6300 1.0815 -1104.7066 0.0000 0.0000 2729.8450 6212.1370 301.5190 3482.2920 6244.1982 302.0814 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: 2633.3, 0.00392401/step Wall: 2633.3, 0.00392401/step, 2.02152 hours remaining, 112.093750 MB of memory in use. ENERGY: 645400 636.4823 1819.8711 1965.2661 104.2903 2.0929 -1064.2819 0.0000 0.0000 2712.0112 6175.7320 299.5492 3463.7208 6208.2501 299.9713 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: 2634.08, 0.00392178/step Wall: 2634.08, 0.00392178/step, 2.02015 hours remaining, 112.093750 MB of memory in use. ENERGY: 645600 621.9322 1880.2171 1981.6333 111.5393 1.7743 -1112.4371 0.0000 0.0000 2708.0695 6192.7287 299.1138 3484.6592 6225.5225 298.8623 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: 2634.87, 0.00392372/step Wall: 2634.87, 0.00392372/step, 2.02094 hours remaining, 112.093750 MB of memory in use. ENERGY: 645800 630.4835 1871.0321 1978.9471 102.0816 0.9271 -1111.2467 0.0000 0.0000 2709.1033 6181.3281 299.2280 3472.2248 6214.9480 299.2268 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: 2635.65, 0.00391459/step Wall: 2635.65, 0.00391459/step, 2.01601 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 646000 630.9345 1840.5089 1994.5737 112.4233 1.9120 -1098.4841 0.0000 0.0000 2658.4135 6140.2819 293.6292 3481.8684 6173.9148 296.6034 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: 2636.44, 0.00392123/step Wall: 2636.44, 0.00392123/step, 2.01922 hours remaining, 112.093750 MB of memory in use. ENERGY: 646200 666.3609 1849.0783 1952.3732 101.9083 1.3610 -1104.3993 0.0000 0.0000 2683.6020 6150.2844 296.4113 3466.6824 6182.2453 297.9069 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: 2637.22, 0.00393671/step Wall: 2637.22, 0.00393671/step, 2.02697 hours remaining, 112.093750 MB of memory in use. ENERGY: 646400 666.3260 1833.4512 1958.7112 109.0006 2.8227 -1144.2588 0.0000 0.0000 2708.2009 6134.2538 299.1283 3426.0529 6165.8172 299.0918 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: 2638.01, 0.00392155/step Wall: 2638.01, 0.00392154/step, 2.01894 hours remaining, 112.093750 MB of memory in use. ENERGY: 646600 647.8905 1859.8532 1963.4748 113.7031 2.9776 -1132.0667 0.0000 0.0000 2652.9056 6108.7382 293.0208 3455.8326 6142.1825 297.1533 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: 2638.79, 0.00392336/step Wall: 2638.79, 0.00392337/step, 2.01966 hours remaining, 112.093750 MB of memory in use. ENERGY: 646800 627.0522 1841.6641 1961.9952 108.3837 3.2628 -1100.4042 0.0000 0.0000 2666.4825 6108.4363 294.5204 3441.9538 6136.9107 296.9554 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: 2639.58, 0.00391809/step Wall: 2639.58, 0.00391809/step, 2.01673 hours remaining, 112.093750 MB of memory in use. ENERGY: 647000 623.6061 1868.0110 1979.9351 106.4679 3.7971 -1121.0754 0.0000 0.0000 2655.6563 6116.3981 293.3246 3460.7418 6149.2296 295.4689 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: 2640.36, 0.00392405/step Wall: 2640.36, 0.00392404/step, 2.01957 hours remaining, 112.093750 MB of memory in use. ENERGY: 647200 632.0777 1853.8900 1983.2762 104.3462 2.9028 -1137.6487 0.0000 0.0000 2641.7485 6080.5926 291.7885 3438.8441 6110.9710 296.1425 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: 2641.15, 0.00392463/step Wall: 2641.15, 0.00392464/step, 2.01966 hours remaining, 112.093750 MB of memory in use. ENERGY: 647400 677.4012 1839.1955 1972.4251 103.7379 3.9991 -1129.9768 0.0000 0.0000 2599.4535 6066.2354 287.1169 3466.7819 6096.2265 294.0246 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: 2641.93, 0.00392466/step Wall: 2641.93, 0.00392466/step, 2.01946 hours remaining, 112.093750 MB of memory in use. ENERGY: 647600 621.1953 1814.6825 1969.2140 100.3326 3.9362 -1159.9188 0.0000 0.0000 2667.8871 6017.3288 294.6756 3349.4417 6052.2428 292.3416 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: 2642.72, 0.00392585/step Wall: 2642.72, 0.00392585/step, 2.01985 hours remaining, 112.093750 MB of memory in use. ENERGY: 647800 679.2315 1847.0050 1973.7715 99.5863 2.4871 -1122.3029 0.0000 0.0000 2653.6467 6133.4251 293.1027 3479.7784 6161.2313 294.0060 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: 2643.5, 0.00391853/step Wall: 2643.5, 0.00391853/step, 2.01587 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 648000 655.2418 1796.2851 1964.2451 114.2206 2.0529 -1148.2477 0.0000 0.0000 2778.6795 6162.4773 306.9129 3383.7978 6197.5800 299.4784 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: 2644.28, 0.00392347/step Wall: 2644.28, 0.00392347/step, 2.01819 hours remaining, 112.093750 MB of memory in use. ENERGY: 648200 644.5813 1877.6377 1948.8744 106.3621 1.9381 -1101.5727 0.0000 0.0000 2701.6174 6179.4383 298.4012 3477.8209 6210.7684 299.3880 LDB: ============= START OF LOAD BALANCING ============== 2646.99 LDB: ============== END OF LOAD BALANCING =============== 2646.99 LDB: =============== DONE WITH MIGRATION ================ 2646.99 LDB: ============= START OF LOAD BALANCING ============== 2647.38 LDB: ============== END OF LOAD BALANCING =============== 2647.38 LDB: =============== DONE WITH MIGRATION ================ 2647.38 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: 2645.07, 0.00392979/step Wall: 2645.07, 0.00392979/step, 2.02122 hours remaining, 112.093750 MB of memory in use. ENERGY: 648400 684.5327 1829.2306 1966.9670 123.2531 2.3909 -1083.6784 0.0000 0.0000 2681.4700 6204.1660 296.1758 3522.6959 6234.7642 300.1512 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: 2645.86, 0.00393834/step Wall: 2645.86, 0.00393834/step, 2.0254 hours remaining, 112.093750 MB of memory in use. ENERGY: 648600 661.0576 1822.0891 1999.2645 106.6858 2.1141 -1114.2392 0.0000 0.0000 2727.3580 6204.3300 301.2443 3476.9719 6238.1026 300.4899 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: 2646.64, 0.00392231/step Wall: 2646.64, 0.0039223/step, 2.01693 hours remaining, 112.093750 MB of memory in use. ENERGY: 648800 675.1364 1838.1161 1950.3379 107.9864 2.8946 -1089.6456 0.0000 0.0000 2673.1072 6157.9330 295.2521 3484.8258 6190.1919 299.5299 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: 2647.43, 0.00392582/step Wall: 2647.43, 0.00392583/step, 2.01853 hours remaining, 112.093750 MB of memory in use. ENERGY: 649000 666.5080 1824.2327 1972.9684 106.2870 3.0945 -1098.0203 0.0000 0.0000 2717.5961 6192.6664 300.1661 3475.0703 6227.4697 297.7966 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: 2648.21, 0.00392154/step Wall: 2648.21, 0.00392154/step, 2.01611 hours remaining, 112.093750 MB of memory in use. ENERGY: 649200 659.5809 1822.0485 1954.2648 96.9974 3.6724 -1120.3609 0.0000 0.0000 2752.1753 6168.3786 303.9854 3416.2032 6203.3158 299.3778 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: 2649, 0.00392295/step Wall: 2649, 0.00392295/step, 2.01661 hours remaining, 112.093750 MB of memory in use. ENERGY: 649400 678.1084 1811.6739 1940.0042 104.8388 4.5413 -1080.6124 0.0000 0.0000 2641.2234 6099.7775 291.7305 3458.5541 6132.4423 297.2384 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: 2649.78, 0.00391972/step Wall: 2649.78, 0.00391972/step, 2.01474 hours remaining, 112.093750 MB of memory in use. ENERGY: 649600 626.2828 1815.7831 1962.4121 104.0781 3.6970 -1096.9629 0.0000 0.0000 2673.5972 6088.8872 295.3063 3415.2900 6120.9892 294.9600 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: 2650.56, 0.00391502/step Wall: 2650.56, 0.00391502/step, 2.0121 hours remaining, 112.093750 MB of memory in use. ENERGY: 649800 615.9571 1834.3027 1965.0023 109.5207 3.7884 -1098.5332 0.0000 0.0000 2662.8928 6092.9307 294.1239 3430.0380 6124.4056 293.5597 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: 2651.35, 0.00392263/step Wall: 2651.35, 0.00392263/step, 2.0158 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 650000 671.5457 1841.9637 1929.5523 97.8462 3.9431 -1112.6779 0.0000 0.0000 2660.0782 6092.2512 293.8130 3432.1730 6124.7194 295.1441 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 650000 WRITING COORDINATES TO DCD FILE MD.1.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: 2652.17, 0.00412659/step Wall: 2652.17, 0.00412659/step, 2.12038 hours remaining, 112.093750 MB of memory in use. ENERGY: 650200 668.0422 1770.0640 1960.7805 111.8690 3.2256 -1112.4422 0.0000 0.0000 2667.6957 6069.2347 294.6544 3401.5391 6102.5525 293.8939 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: 2652.96, 0.0039231/step Wall: 2652.96, 0.0039231/step, 2.0156 hours remaining, 112.093750 MB of memory in use. ENERGY: 650400 633.1960 1789.5804 1925.0656 113.4118 2.2869 -1108.7886 0.0000 0.0000 2703.2243 6057.9763 298.5787 3354.7520 6094.1015 292.5962 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: 2653.74, 0.00392069/step Wall: 2653.74, 0.00392069/step, 2.01415 hours remaining, 112.093750 MB of memory in use. ENERGY: 650600 655.8468 1776.4323 1944.8153 115.7748 2.1459 -1111.3315 0.0000 0.0000 2683.8298 6067.5134 296.4365 3383.6836 6100.7822 294.5300 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: 2654.52, 0.00391464/step Wall: 2654.52, 0.00391464/step, 2.01082 hours remaining, 112.093750 MB of memory in use. ENERGY: 650800 609.7970 1813.7576 1944.9648 113.1330 2.4709 -1092.4962 0.0000 0.0000 2655.0905 6046.7176 293.2621 3391.6271 6079.8961 294.0249 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: 2655.31, 0.00392078/step Wall: 2655.31, 0.00392078/step, 2.01375 hours remaining, 112.093750 MB of memory in use. ENERGY: 651000 657.0870 1810.3538 1974.4851 102.1292 2.9908 -1145.7088 0.0000 0.0000 2691.3997 6092.7369 297.2726 3401.3372 6126.7938 294.0942 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: 2656.09, 0.00392319/step Wall: 2656.09, 0.00392319/step, 2.01478 hours remaining, 112.093750 MB of memory in use. ENERGY: 651200 655.8838 1832.2652 1964.7596 101.2354 4.0228 -1100.2438 0.0000 0.0000 2645.3471 6103.2701 292.1860 3457.9229 6135.4639 295.1043 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: 2656.88, 0.00392375/step Wall: 2656.88, 0.00392375/step, 2.01484 hours remaining, 112.093750 MB of memory in use. ENERGY: 651400 657.5178 1811.1256 1938.4586 107.0993 2.8018 -1104.9127 0.0000 0.0000 2710.8200 6122.9105 299.4176 3412.0905 6158.1646 295.2173 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: 2657.66, 0.00391701/step Wall: 2657.66, 0.00391701/step, 2.01116 hours remaining, 112.093750 MB of memory in use. ENERGY: 651600 678.8191 1879.8417 1952.8380 114.3648 2.6631 -1110.8954 0.0000 0.0000 2659.2907 6176.9220 293.7261 3517.6313 6207.8916 297.4823 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: 2658.45, 0.00392673/step Wall: 2658.45, 0.00392673/step, 2.01594 hours remaining, 112.093750 MB of memory in use. ENERGY: 651800 665.6921 1798.4534 1959.0245 109.9959 1.6842 -1052.2890 0.0000 0.0000 2670.6856 6153.2467 294.9847 3482.5611 6185.6457 298.8567 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: 2659.23, 0.00392455/step Wall: 2659.23, 0.00392455/step, 2.0146 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 652000 638.6148 1830.3458 1942.3257 113.8020 2.7714 -1105.5797 0.0000 0.0000 2697.5508 6119.8309 297.9520 3422.2801 6153.3506 296.6487 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: 2660.02, 0.00392272/step Wall: 2660.02, 0.00392272/step, 2.01345 hours remaining, 112.093750 MB of memory in use. ENERGY: 652200 654.5520 1847.6417 1949.9243 101.2314 1.7704 -1141.3949 0.0000 0.0000 2685.8302 6099.5551 296.6574 3413.7249 6129.9885 296.0758 LDB: ============= START OF LOAD BALANCING ============== 2662.72 LDB: ============== END OF LOAD BALANCING =============== 2662.72 LDB: =============== DONE WITH MIGRATION ================ 2662.72 LDB: ============= START OF LOAD BALANCING ============== 2663.11 LDB: ============== END OF LOAD BALANCING =============== 2663.11 LDB: =============== DONE WITH MIGRATION ================ 2663.11 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: 2660.8, 0.00392774/step Wall: 2660.8, 0.00392774/step, 2.01581 hours remaining, 112.093750 MB of memory in use. ENERGY: 652400 618.2378 1844.4172 1974.9311 114.1542 4.2027 -1084.0999 0.0000 0.0000 2685.9872 6157.8303 296.6748 3471.8432 6187.5308 297.5216 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: 2661.59, 0.0039173/step Wall: 2661.59, 0.00391729/step, 2.01023 hours remaining, 112.093750 MB of memory in use. ENERGY: 652600 682.9722 1814.1492 1951.5629 102.0545 4.2550 -1104.3720 0.0000 0.0000 2729.2283 6179.8499 301.4509 3450.6217 6212.2507 298.4871 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: 2662.37, 0.00392352/step Wall: 2662.37, 0.00392353/step, 2.0132 hours remaining, 112.093750 MB of memory in use. ENERGY: 652800 613.0087 1815.4846 1964.1055 99.1138 2.2636 -1104.1425 0.0000 0.0000 2738.7260 6128.5597 302.4999 3389.8337 6162.7674 296.9446 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: 2663.15, 0.00392181/step Wall: 2663.15, 0.00392181/step, 2.01211 hours remaining, 112.093750 MB of memory in use. ENERGY: 653000 632.5991 1817.1145 1978.1212 106.6438 2.3367 -1110.8972 0.0000 0.0000 2723.7447 6149.6628 300.8452 3425.9181 6184.4181 297.8475 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: 2663.94, 0.00392227/step Wall: 2663.94, 0.00392227/step, 2.01212 hours remaining, 112.093750 MB of memory in use. ENERGY: 653200 648.1440 1810.4990 1991.3723 121.0413 2.6312 -1117.9799 0.0000 0.0000 2723.8642 6179.5721 300.8584 3455.7079 6212.3681 299.7043 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: 2664.72, 0.00391935/step Wall: 2664.72, 0.00391935/step, 2.01041 hours remaining, 112.093750 MB of memory in use. ENERGY: 653400 665.9041 1831.2480 1971.3850 116.2637 2.4073 -1091.3368 0.0000 0.0000 2683.7916 6179.6629 296.4323 3495.8713 6211.2265 298.0828 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: 2665.51, 0.00391942/step Wall: 2665.51, 0.00391942/step, 2.01023 hours remaining, 112.093750 MB of memory in use. ENERGY: 653600 647.8998 1813.0564 1962.5865 99.8348 1.7695 -1050.2144 0.0000 0.0000 2685.4695 6160.4020 296.6176 3474.9325 6191.9274 299.4620 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: 2666.29, 0.0039238/step Wall: 2666.29, 0.0039238/step, 2.01226 hours remaining, 112.093750 MB of memory in use. ENERGY: 653800 659.2999 1863.4510 1958.7792 110.0210 2.6935 -1119.6595 0.0000 0.0000 2635.9582 6110.5433 291.1489 3474.5851 6142.4654 296.7071 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: 2667.08, 0.00392511/step Wall: 2667.08, 0.00392511/step, 2.01271 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 654000 631.0928 1822.0562 1952.6993 87.9163 1.8995 -1076.2409 0.0000 0.0000 2682.1776 6101.6009 296.2540 3419.4233 6133.5983 293.9380 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: 2667.86, 0.00392445/step Wall: 2667.86, 0.00392445/step, 2.01215 hours remaining, 112.093750 MB of memory in use. ENERGY: 654200 664.6799 1886.7283 1968.3668 112.1133 1.0031 -1119.3664 0.0000 0.0000 2620.2261 6133.7511 289.4113 3513.5250 6162.9589 294.0188 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: 2668.65, 0.00392052/step Wall: 2668.65, 0.00392053/step, 2.00992 hours remaining, 112.093750 MB of memory in use. ENERGY: 654400 659.3607 1811.2605 1987.2993 92.0348 1.0711 -1135.1539 0.0000 0.0000 2739.5844 6155.4569 302.5947 3415.8725 6190.9199 296.0226 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: 2669.43, 0.00392504/step Wall: 2669.43, 0.00392504/step, 2.01202 hours remaining, 112.093750 MB of memory in use. ENERGY: 654600 658.8894 1793.0962 1932.9346 100.0813 1.5955 -1102.2830 0.0000 0.0000 2742.8377 6127.1518 302.9541 3384.3141 6161.4698 298.0101 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: 2670.22, 0.00392338/step Wall: 2670.22, 0.00392337/step, 2.01095 hours remaining, 112.093750 MB of memory in use. ENERGY: 654800 654.9700 1816.5830 1967.9452 104.1859 2.0147 -1109.0461 0.0000 0.0000 2763.7765 6200.4292 305.2668 3436.6527 6237.0759 299.1322 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: 2671, 0.00392485/step Wall: 2671, 0.00392486/step, 2.01149 hours remaining, 112.093750 MB of memory in use. ENERGY: 655000 680.5691 1799.5503 1947.7099 100.9553 0.0125 -1095.5946 0.0000 0.0000 2697.3343 6130.5368 297.9281 3433.2025 6165.7418 299.0249 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: 2671.78, 0.00392423/step Wall: 2671.78, 0.00392423/step, 2.01095 hours remaining, 112.093750 MB of memory in use. ENERGY: 655200 650.7301 1814.0678 1971.0386 103.0883 1.8800 -1065.2976 0.0000 0.0000 2723.0944 6198.6016 300.7734 3475.5073 6230.6033 297.7970 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: 2672.57, 0.00391756/step Wall: 2672.57, 0.00391755/step, 2.00731 hours remaining, 112.093750 MB of memory in use. ENERGY: 655400 678.6518 1859.1352 1957.4833 101.2217 1.1203 -1114.3849 0.0000 0.0000 2690.7716 6173.9990 297.2032 3483.2274 6204.5158 299.1558 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: 2673.35, 0.0039252/step Wall: 2673.35, 0.0039252/step, 2.01101 hours remaining, 112.093750 MB of memory in use. ENERGY: 655600 632.0031 1855.3171 1978.7972 118.7073 3.1784 -1133.1501 0.0000 0.0000 2713.2743 6168.1273 299.6887 3454.8530 6201.4550 299.9625 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: 2674.14, 0.00392385/step Wall: 2674.14, 0.00392385/step, 2.0101 hours remaining, 112.093750 MB of memory in use. ENERGY: 655800 633.4307 1835.9913 1987.4323 111.2800 1.8828 -1146.1504 0.0000 0.0000 2738.5415 6162.4081 302.4795 3423.8666 6199.2096 297.4756 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: 2674.92, 0.00392605/step Wall: 2674.92, 0.00392605/step, 2.01101 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 656000 666.4864 1889.1803 1950.9026 102.7590 1.4909 -1100.9680 0.0000 0.0000 2710.6226 6220.4738 299.3958 3509.8512 6249.9725 298.8898 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: 2675.71, 0.00391748/step Wall: 2675.71, 0.00391748/step, 2.0064 hours remaining, 112.093750 MB of memory in use. ENERGY: 656200 666.2943 1872.9751 1983.9866 101.6562 1.0760 -1098.5798 0.0000 0.0000 2736.6703 6264.0787 302.2729 3527.4083 6299.0860 301.3900 LDB: ============= START OF LOAD BALANCING ============== 2678.41 LDB: ============== END OF LOAD BALANCING =============== 2678.41 LDB: =============== DONE WITH MIGRATION ================ 2678.41 LDB: ============= START OF LOAD BALANCING ============== 2678.8 LDB: ============== END OF LOAD BALANCING =============== 2678.8 LDB: =============== DONE WITH MIGRATION ================ 2678.8 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: 2676.49, 0.00392851/step Wall: 2676.49, 0.00392851/step, 2.01184 hours remaining, 112.093750 MB of memory in use. ENERGY: 656400 660.3834 1840.5560 1975.8487 102.9792 2.2795 -1122.7599 0.0000 0.0000 2746.5351 6205.8220 303.3625 3459.2869 6238.4206 302.3314 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: 2677.28, 0.00393514/step Wall: 2677.28, 0.00393514/step, 2.01501 hours remaining, 112.093750 MB of memory in use. ENERGY: 656600 668.5713 1919.4637 1951.2039 115.4362 1.8923 -1110.9845 0.0000 0.0000 2659.5807 6205.1636 293.7581 3545.5829 6234.1076 300.7144 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: 2678.06, 0.00392189/step Wall: 2678.06, 0.00392189/step, 2.00801 hours remaining, 112.093750 MB of memory in use. ENERGY: 656800 648.1823 1816.4536 1949.4796 102.5774 1.7054 -1131.2454 0.0000 0.0000 2779.0159 6166.1688 306.9501 3387.1528 6202.4486 301.1541 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: 2678.85, 0.00392493/step Wall: 2678.85, 0.00392493/step, 2.00935 hours remaining, 112.093750 MB of memory in use. ENERGY: 657000 648.8715 1830.0896 1977.6503 103.4352 1.8257 -1133.0779 0.0000 0.0000 2680.2162 6109.0107 296.0373 3428.7945 6141.8318 297.1702 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: 2679.63, 0.00391617/step Wall: 2679.63, 0.00391617/step, 2.00464 hours remaining, 112.093750 MB of memory in use. ENERGY: 657200 669.6426 1840.2348 1965.8101 106.2886 2.3863 -1120.4583 0.0000 0.0000 2707.1939 6171.0979 299.0171 3463.9040 6203.9316 296.7532 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: 2680.42, 0.00392236/step Wall: 2680.42, 0.00392236/step, 2.00759 hours remaining, 112.093750 MB of memory in use. ENERGY: 657400 658.0792 1840.1048 1977.3036 106.3916 2.0097 -1102.3532 0.0000 0.0000 2660.3762 6141.9120 293.8460 3481.5359 6172.6371 297.8067 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: 2681.2, 0.00392203/step Wall: 2681.2, 0.00392203/step, 2.00721 hours remaining, 112.093750 MB of memory in use. ENERGY: 657600 632.4153 1873.6685 1966.9746 111.1222 2.0389 -1087.8938 0.0000 0.0000 2674.1360 6172.4617 295.3658 3498.3257 6205.3862 298.2675 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: 2681.99, 0.00392313/step Wall: 2681.99, 0.00392313/step, 2.00755 hours remaining, 112.093750 MB of memory in use. ENERGY: 657800 686.2338 1822.7095 1963.9490 115.2590 0.5768 -1086.4992 0.0000 0.0000 2636.5144 6138.7432 291.2104 3502.2289 6170.2383 298.7579 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: 2682.77, 0.00392429/step Wall: 2682.77, 0.00392429/step, 2.00793 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 658000 657.2087 1869.4879 1952.1551 108.8000 0.8617 -1104.8654 0.0000 0.0000 2714.8509 6198.4990 299.8628 3483.6481 6233.8918 298.1374 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: 2683.55, 0.00391886/step Wall: 2683.55, 0.00391886/step, 2.00493 hours remaining, 112.093750 MB of memory in use. ENERGY: 658200 667.2077 1883.2775 1957.4264 115.6893 1.0125 -1117.9627 0.0000 0.0000 2717.9300 6224.5807 300.2029 3506.6506 6253.1960 300.7721 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: 2684.34, 0.00392285/step Wall: 2684.34, 0.00392285/step, 2.00676 hours remaining, 112.093750 MB of memory in use. ENERGY: 658400 637.8130 1809.7991 1953.7442 109.5628 2.1222 -1089.3489 0.0000 0.0000 2751.3302 6175.0226 303.8921 3423.6924 6208.8523 300.9500 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: 2685.12, 0.00392258/step Wall: 2685.12, 0.00392258/step, 2.0064 hours remaining, 112.093750 MB of memory in use. ENERGY: 658600 703.9364 1885.1822 1943.7627 97.7917 1.8061 -1116.4793 0.0000 0.0000 2679.3553 6195.3550 295.9423 3515.9998 6226.0565 298.6351 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: 2685.91, 0.00392258/step Wall: 2685.91, 0.00392258/step, 2.00618 hours remaining, 112.093750 MB of memory in use. ENERGY: 658800 666.0655 1868.2752 1968.7086 100.7646 1.6041 -1107.5302 0.0000 0.0000 2709.5204 6207.4082 299.2741 3497.8878 6240.7155 300.1098 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: 2686.69, 0.00391746/step Wall: 2686.69, 0.00391745/step, 2.00334 hours remaining, 112.093750 MB of memory in use. ENERGY: 659000 675.6748 1833.1414 1973.6816 102.0637 2.3743 -1115.4904 0.0000 0.0000 2745.0847 6216.5300 303.2022 3471.4453 6249.4263 300.9662 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: 2687.48, 0.00392138/step Wall: 2687.48, 0.00392137/step, 2.00513 hours remaining, 112.093750 MB of memory in use. ENERGY: 659200 650.4582 1869.9139 1932.1220 117.4856 2.3529 -1124.8073 0.0000 0.0000 2715.4127 6162.9381 299.9249 3447.5253 6197.3831 299.9780 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: 2688.26, 0.00392133/step Wall: 2688.26, 0.00392134/step, 2.00489 hours remaining, 112.093750 MB of memory in use. ENERGY: 659400 654.8555 1873.6483 1958.0250 109.1837 2.0623 -1108.7953 0.0000 0.0000 2680.4209 6169.4003 296.0599 3488.9795 6203.8369 299.1794 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: 2689.04, 0.0039237/step Wall: 2689.04, 0.0039237/step, 2.00588 hours remaining, 112.093750 MB of memory in use. ENERGY: 659600 671.5401 1816.2887 1963.3853 104.7084 1.2797 -1101.6352 0.0000 0.0000 2702.9593 6158.5263 298.5494 3455.5670 6191.3381 298.4215 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: 2689.83, 0.00392392/step Wall: 2689.83, 0.00392392/step, 2.00578 hours remaining, 112.093750 MB of memory in use. ENERGY: 659800 657.7502 1837.1377 1953.1524 104.9280 2.0977 -1095.8229 0.0000 0.0000 2717.8415 6177.0846 300.1932 3459.2431 6209.7142 296.1835 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: 2690.61, 0.0039195/step Wall: 2690.61, 0.0039195/step, 2.0033 hours remaining, 112.093750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 660000 638.5672 1861.9079 1963.1601 109.4064 1.2930 -1103.7679 0.0000 0.0000 2700.3584 6170.9251 298.2621 3470.5667 6206.5911 298.4357 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 660000 WRITING COORDINATES TO DCD FILE MD.1.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: 2691.43, 0.00410451/step Wall: 2691.43, 0.00410451/step, 2.09763 hours remaining, 112.093750 MB of memory in use. ENERGY: 660200 647.5624 1831.7091 1964.3349 114.0902 1.8333 -1126.6957 0.0000 0.0000 2735.1250 6167.9593 302.1022 3432.8342 6201.7834 297.7149 LDB: ============= START OF LOAD BALANCING ============== 2694.14 LDB: ============== END OF LOAD BALANCING =============== 2694.14 LDB: =============== DONE WITH MIGRATION ================ 2694.14 LDB: ============= START OF LOAD BALANCING ============== 2694.53 LDB: ============== END OF LOAD BALANCING =============== 2694.53 LDB: =============== DONE WITH MIGRATION ================ 2694.53 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: 2692.22, 0.00392872/step Wall: 2692.22, 0.00392872/step, 2.00758 hours remaining, 112.093750 MB of memory in use. ENERGY: 660400 669.9018 1811.3317 1950.8597 112.8092 1.2715 -1100.3755 0.0000 0.0000 2749.8956 6195.6940 303.7336 3445.7984 6230.7623 298.2342 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: 2693.01, 0.00392618/step Wall: 2693.01, 0.00392618/step, 2.00606 hours remaining, 112.093750 MB of memory in use. ENERGY: 660600 667.0603 1860.4786 1965.9600 109.6928 1.9888 -1109.1228 0.0000 0.0000 2708.0939 6204.1517 299.1165 3496.0578 6238.4156 299.7400 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: 2693.79, 0.00392625/step Wall: 2693.79, 0.00392625/step, 2.00588 hours remaining, 112.097656 MB of memory in use. ENERGY: 660800 654.4673 1825.3217 1973.6096 101.1741 2.1468 -1096.1804 0.0000 0.0000 2690.5027 6151.0419 297.1735 3460.5391 6183.1373 298.2720 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: 2694.57, 0.0039197/step Wall: 2694.57, 0.0039197/step, 2.00231 hours remaining, 112.097656 MB of memory in use. ENERGY: 661000 650.3570 1835.1905 2000.2410 100.8014 1.9817 -1132.7876 0.0000 0.0000 2686.3938 6142.1779 296.7197 3455.7841 6177.1456 296.5936 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: 2695.36, 0.0039279/step Wall: 2695.36, 0.0039279/step, 2.00628 hours remaining, 112.101562 MB of memory in use. ENERGY: 661200 628.1727 1822.3681 1960.9133 113.6729 2.8635 -1108.0708 0.0000 0.0000 2722.7016 6142.6213 300.7300 3419.9197 6177.1572 296.3835 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: 2696.14, 0.00392393/step Wall: 2696.14, 0.00392393/step, 2.00404 hours remaining, 112.101562 MB of memory in use. ENERGY: 661400 650.0258 1857.1754 1972.4950 111.6436 2.0432 -1130.9253 0.0000 0.0000 2699.0656 6161.5232 298.1193 3462.4576 6195.2092 298.0901 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: 2696.93, 0.00392495/step Wall: 2696.93, 0.00392495/step, 2.00434 hours remaining, 112.101562 MB of memory in use. ENERGY: 661600 668.9123 1891.5588 1946.3083 104.1713 2.3441 -1118.6926 0.0000 0.0000 2644.1300 6138.7322 292.0515 3494.6022 6172.2039 298.2743 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: 2697.71, 0.00391732/step Wall: 2697.71, 0.00391732/step, 2.00023 hours remaining, 112.101562 MB of memory in use. ENERGY: 661800 662.8770 1782.5238 1961.3364 98.3284 -0.0285 -1109.9990 0.0000 0.0000 2768.6123 6163.6504 305.8009 3395.0382 6199.3535 297.9067 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: 2698.5, 0.00392649/step Wall: 2698.5, 0.00392649/step, 2.00469 hours remaining, 112.101562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 662000 652.0020 1795.3717 1930.7871 113.6430 0.7099 -1094.3443 0.0000 0.0000 2691.3371 6089.5066 297.2657 3398.1695 6118.4582 296.4316 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: 2699.28, 0.00392367/step Wall: 2699.28, 0.00392368/step, 2.00304 hours remaining, 112.101562 MB of memory in use. ENERGY: 662200 625.0067 1817.1608 1977.2610 99.6789 -0.2932 -1100.0805 0.0000 0.0000 2638.9441 6057.6778 291.4787 3418.7337 6089.7569 292.9356 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: 2700.07, 0.00392452/step Wall: 2700.07, 0.00392452/step, 2.00325 hours remaining, 112.105469 MB of memory in use. ENERGY: 662400 623.3924 1808.7575 1930.2518 103.1108 1.0452 -1111.9199 0.0000 0.0000 2719.5809 6074.2187 300.3853 3354.6378 6109.6102 294.1403 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: 2700.85, 0.00392516/step Wall: 2700.85, 0.00392516/step, 2.00336 hours remaining, 112.109375 MB of memory in use. ENERGY: 662600 628.1192 1833.2751 1986.3811 114.2070 1.7185 -1108.4881 0.0000 0.0000 2613.9976 6069.2104 288.7233 3455.2129 6100.2439 292.0080 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: 2701.64, 0.00393428/step Wall: 2701.64, 0.00393428/step, 2.0078 hours remaining, 112.109375 MB of memory in use. ENERGY: 662800 680.0735 1824.5340 1951.0512 102.3849 2.7320 -1135.3363 0.0000 0.0000 2693.7611 6119.2004 297.5334 3425.4393 6154.3057 294.4845 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: 2702.43, 0.00392721/step Wall: 2702.43, 0.0039272/step, 2.00396 hours remaining, 112.109375 MB of memory in use. ENERGY: 663000 669.8998 1822.6396 1967.8173 103.2494 1.2921 -1101.1349 0.0000 0.0000 2625.6845 6089.4477 290.0142 3463.7633 6121.6306 296.0906 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: 2703.21, 0.00392864/step Wall: 2703.21, 0.00392864/step, 2.00448 hours remaining, 112.109375 MB of memory in use. ENERGY: 663200 645.0244 1860.8342 1969.0298 100.2809 2.3975 -1149.8067 0.0000 0.0000 2725.2037 6152.9639 301.0063 3427.7602 6186.8594 295.9656 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: 2704, 0.00392519/step Wall: 2704, 0.00392519/step, 2.0025 hours remaining, 112.109375 MB of memory in use. ENERGY: 663400 666.1146 1878.4785 1956.2081 113.9919 3.0187 -1100.6785 0.0000 0.0000 2639.6006 6156.7340 291.5512 3517.1334 6188.1090 297.4235 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: 2704.78, 0.00391732/step Wall: 2704.78, 0.00391731/step, 1.99826 hours remaining, 112.109375 MB of memory in use. ENERGY: 663600 639.6680 1947.2924 1955.3165 125.1520 2.5157 -1080.1518 0.0000 0.0000 2615.5758 6205.3686 288.8976 3589.7928 6233.3706 298.7080 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: 2705.56, 0.0039242/step Wall: 2705.56, 0.00392421/step, 2.00157 hours remaining, 112.109375 MB of memory in use. ENERGY: 663800 657.8470 1890.7356 1951.2858 100.5234 1.8207 -1090.6466 0.0000 0.0000 2694.8666 6206.4325 297.6555 3511.5659 6238.9155 300.3916 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: 2706.35, 0.00393394/step Wall: 2706.35, 0.00393394/step, 2.00631 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 664000 636.8040 1840.9254 1965.3460 111.7530 1.5486 -1100.2729 0.0000 0.0000 2735.4048 6191.5089 302.1331 3456.1041 6225.6540 300.1088 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: 2707.14, 0.00392479/step Wall: 2707.14, 0.00392479/step, 2.00142 hours remaining, 112.109375 MB of memory in use. ENERGY: 664200 669.9730 1879.6480 1919.2299 101.1557 1.4485 -1112.0311 0.0000 0.0000 2762.5026 6221.9265 305.1261 3459.4239 6258.7875 301.4097 LDB: ============= START OF LOAD BALANCING ============== 2709.84 LDB: ============== END OF LOAD BALANCING =============== 2709.84 LDB: =============== DONE WITH MIGRATION ================ 2709.84 LDB: ============= START OF LOAD BALANCING ============== 2710.23 LDB: ============== END OF LOAD BALANCING =============== 2710.23 LDB: =============== DONE WITH MIGRATION ================ 2710.23 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: 2707.92, 0.00392981/step Wall: 2707.92, 0.00392981/step, 2.00377 hours remaining, 112.109375 MB of memory in use. ENERGY: 664400 685.9628 1869.4932 1974.4576 92.7474 1.1721 -1111.0783 0.0000 0.0000 2747.4754 6260.2302 303.4663 3512.7548 6292.4602 303.1854 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: 2708.71, 0.00391743/step Wall: 2708.71, 0.00391743/step, 1.99724 hours remaining, 112.109375 MB of memory in use. ENERGY: 664600 688.2763 1870.6463 1965.1690 112.6055 1.1604 -1094.6269 0.0000 0.0000 2739.8118 6283.0425 302.6198 3543.2307 6316.2181 303.6490 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: 2709.49, 0.00392265/step Wall: 2709.49, 0.00392265/step, 1.99968 hours remaining, 112.109375 MB of memory in use. ENERGY: 664800 654.3690 1856.2378 1987.8788 110.3127 2.1013 -1086.3524 0.0000 0.0000 2700.9356 6225.4828 298.3259 3524.5472 6257.8337 301.6243 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: 2710.28, 0.00392301/step Wall: 2710.28, 0.00392301/step, 1.99965 hours remaining, 112.109375 MB of memory in use. ENERGY: 665000 623.9326 1845.3336 1987.8727 111.7387 1.1159 -1125.7756 0.0000 0.0000 2767.0234 6211.2412 305.6254 3444.2179 6247.5669 299.2863 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: 2711.06, 0.00392277/step Wall: 2711.06, 0.00392277/step, 1.99931 hours remaining, 112.109375 MB of memory in use. ENERGY: 665200 629.4239 1857.6821 1988.7385 105.0325 0.7863 -1109.4537 0.0000 0.0000 2730.4894 6202.6990 301.5902 3472.2096 6235.6423 301.5956 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: 2711.84, 0.00392267/step Wall: 2711.84, 0.00392267/step, 1.99904 hours remaining, 112.109375 MB of memory in use. ENERGY: 665400 626.5492 1843.7831 1969.7338 105.8590 2.1461 -1111.6326 0.0000 0.0000 2755.0919 6191.5306 304.3076 3436.4386 6226.7295 300.3505 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: 2712.63, 0.00391542/step Wall: 2712.63, 0.00391542/step, 1.99512 hours remaining, 112.109375 MB of memory in use. ENERGY: 665600 663.6518 1886.5145 1967.7199 98.5398 0.2460 -1107.5847 0.0000 0.0000 2687.9358 6197.0230 296.8900 3509.0872 6229.2380 298.6916 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: 2713.41, 0.00392245/step Wall: 2713.41, 0.00392245/step, 1.99849 hours remaining, 112.109375 MB of memory in use. ENERGY: 665800 658.8753 1877.8266 1962.0394 112.7317 1.2557 -1126.9639 0.0000 0.0000 2716.8240 6202.5888 300.0808 3485.7648 6234.7168 300.0768 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: 2714.2, 0.00392179/step Wall: 2714.2, 0.00392179/step, 1.99794 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 666000 666.0884 1862.7186 1966.3746 116.8087 2.0023 -1103.4560 0.0000 0.0000 2722.2652 6232.8018 300.6818 3510.5366 6265.9217 301.0179 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: 2714.98, 0.00392381/step Wall: 2714.98, 0.00392381/step, 1.99874 hours remaining, 112.109375 MB of memory in use. ENERGY: 666200 679.4125 1858.3121 1977.3691 110.0769 0.9161 -1115.8802 0.0000 0.0000 2697.6375 6207.8439 297.9616 3510.2064 6239.3860 301.8103 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: 2715.76, 0.00391607/step Wall: 2715.76, 0.00391606/step, 1.99458 hours remaining, 112.109375 MB of memory in use. ENERGY: 666400 687.1897 1877.8527 1967.8320 91.9363 1.6763 -1080.0969 0.0000 0.0000 2664.9180 6211.3079 294.3476 3546.3900 6239.3332 299.8611 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: 2716.55, 0.00392426/step Wall: 2716.55, 0.00392426/step, 1.99854 hours remaining, 112.109375 MB of memory in use. ENERGY: 666600 635.2888 1888.7227 1939.7713 100.5124 1.2708 -1107.0682 0.0000 0.0000 2760.9764 6219.4742 304.9575 3458.4978 6256.3630 301.1761 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: 2717.33, 0.00392985/step Wall: 2717.33, 0.00392985/step, 2.00117 hours remaining, 112.109375 MB of memory in use. ENERGY: 666800 649.5217 1866.2437 1961.0428 108.4673 0.4678 -1078.4819 0.0000 0.0000 2695.5009 6202.7623 297.7256 3507.2614 6235.1016 299.6763 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: 2718.12, 0.00392126/step Wall: 2718.12, 0.00392125/step, 1.99657 hours remaining, 112.109375 MB of memory in use. ENERGY: 667000 649.4280 1837.2291 1972.0510 122.4544 1.7022 -1104.9528 0.0000 0.0000 2753.7023 6231.6143 304.1541 3477.9119 6264.3678 300.6272 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: 2718.9, 0.00392487/step Wall: 2718.9, 0.00392488/step, 1.9982 hours remaining, 112.109375 MB of memory in use. ENERGY: 667200 675.8513 1889.2369 1960.1956 97.0108 2.5890 -1114.8415 0.0000 0.0000 2706.3681 6216.4103 298.9259 3510.0422 6252.2905 301.3022 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: 2719.69, 0.00391458/step Wall: 2719.69, 0.00391458/step, 1.99274 hours remaining, 112.109375 MB of memory in use. ENERGY: 667400 658.2439 1878.2050 1955.2636 100.5048 2.1803 -1115.8322 0.0000 0.0000 2756.6070 6235.1723 304.4749 3478.5653 6271.8038 300.5221 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: 2720.47, 0.00392023/step Wall: 2720.47, 0.00392023/step, 1.9954 hours remaining, 112.109375 MB of memory in use. ENERGY: 667600 651.1726 1853.7559 1981.0369 105.7645 2.3445 -1080.7315 0.0000 0.0000 2701.1452 6214.4881 298.3490 3513.3429 6248.6707 299.5462 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: 2721.26, 0.0039202/step Wall: 2721.26, 0.0039202/step, 1.99516 hours remaining, 112.109375 MB of memory in use. ENERGY: 667800 678.1010 1855.3870 1951.5248 104.2409 2.5111 -1119.7550 0.0000 0.0000 2672.5602 6144.5700 295.1917 3472.0097 6178.6471 300.0620 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: 2722.04, 0.00392153/step Wall: 2722.04, 0.00392153/step, 1.99562 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 668000 679.4872 1871.2054 1953.5767 105.4074 1.4713 -1109.1844 0.0000 0.0000 2655.8643 6157.8279 293.3476 3501.9636 6189.2873 298.7431 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: 2722.82, 0.00391643/step Wall: 2722.82, 0.00391643/step, 1.99281 hours remaining, 112.109375 MB of memory in use. ENERGY: 668200 663.3528 1829.2825 1958.8996 117.5946 0.8348 -1135.7114 0.0000 0.0000 2704.6709 6138.9238 298.7384 3434.2529 6173.2470 297.3212 LDB: ============= START OF LOAD BALANCING ============== 2725.52 LDB: ============== END OF LOAD BALANCING =============== 2725.52 LDB: =============== DONE WITH MIGRATION ================ 2725.52 LDB: ============= START OF LOAD BALANCING ============== 2725.92 LDB: ============== END OF LOAD BALANCING =============== 2725.92 LDB: =============== DONE WITH MIGRATION ================ 2725.92 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: 2723.61, 0.00392752/step Wall: 2723.61, 0.00392752/step, 1.99823 hours remaining, 112.109375 MB of memory in use. ENERGY: 668400 659.9006 1869.0582 1960.4135 115.9612 0.1353 -1114.2131 0.0000 0.0000 2715.5606 6206.8163 299.9412 3491.2556 6239.9258 300.1907 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: 2724.39, 0.00392324/step Wall: 2724.39, 0.00392324/step, 1.99584 hours remaining, 112.109375 MB of memory in use. ENERGY: 668600 658.0295 1856.4285 1937.8020 114.7298 1.8874 -1099.2139 0.0000 0.0000 2758.3991 6228.0624 304.6729 3469.6632 6259.8635 300.2495 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: 2725.18, 0.00392114/step Wall: 2725.18, 0.00392113/step, 1.99455 hours remaining, 112.109375 MB of memory in use. ENERGY: 668800 664.1675 1869.9305 1952.0402 119.5309 0.9707 -1117.6004 0.0000 0.0000 2713.0177 6202.0570 299.6604 3489.0393 6234.1564 300.3219 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: 2725.96, 0.00392277/step Wall: 2725.96, 0.00392277/step, 1.99516 hours remaining, 112.109375 MB of memory in use. ENERGY: 669000 660.9355 1866.2053 1981.3437 101.8004 1.8615 -1123.1389 0.0000 0.0000 2746.2936 6235.3012 303.3358 3489.0076 6267.8534 300.5347 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: 2726.75, 0.0039171/step Wall: 2726.75, 0.0039171/step, 1.99206 hours remaining, 112.109375 MB of memory in use. ENERGY: 669200 647.5823 1797.4790 1979.4024 110.2990 1.1930 -1112.6341 0.0000 0.0000 2800.1266 6223.4482 309.2818 3423.3216 6259.1898 301.2659 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: 2727.53, 0.00392115/step Wall: 2727.53, 0.00392115/step, 1.9939 hours remaining, 112.109375 MB of memory in use. ENERGY: 669400 656.7336 1815.0551 1972.4898 103.5938 3.0339 -1077.6924 0.0000 0.0000 2728.7680 6201.9817 301.4000 3473.2137 6236.5021 300.1198 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: 2728.31, 0.00392118/step Wall: 2728.31, 0.00392118/step, 1.9937 hours remaining, 112.109375 MB of memory in use. ENERGY: 669600 647.4803 1871.2760 1966.9876 103.3588 1.4258 -1083.8405 0.0000 0.0000 2708.5744 6215.2623 299.1696 3506.6880 6253.0246 298.2601 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: 2729.1, 0.00392202/step Wall: 2729.1, 0.00392202/step, 1.99391 hours remaining, 112.109375 MB of memory in use. ENERGY: 669800 680.4737 1895.3967 1977.5280 110.1684 2.0963 -1116.6077 0.0000 0.0000 2719.8588 6268.9142 300.4160 3549.0554 6301.4178 301.2887 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: 2729.88, 0.00392357/step Wall: 2729.88, 0.00392357/step, 1.99448 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 670000 646.6245 1915.6753 1959.2578 109.3599 2.5842 -1065.0171 0.0000 0.0000 2691.3440 6259.8286 297.2664 3568.4846 6289.8536 303.0645 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 670000 WRITING COORDINATES TO DCD FILE MD.1.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: 2730.71, 0.00415937/step Wall: 2730.71, 0.00415937/step, 2.11412 hours remaining, 112.109375 MB of memory in use. ENERGY: 670200 630.7921 1865.3845 1974.4975 114.9980 1.0199 -1111.9387 0.0000 0.0000 2742.5290 6217.2823 302.9200 3474.7533 6252.6059 301.1949 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: 2731.5, 0.00392341/step Wall: 2731.5, 0.00392341/step, 1.99397 hours remaining, 112.109375 MB of memory in use. ENERGY: 670400 653.7226 1877.0958 1942.5588 101.6083 1.8514 -1086.5898 0.0000 0.0000 2747.0562 6237.3034 303.4200 3490.2471 6269.7877 301.1019 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: 2732.28, 0.00392287/step Wall: 2732.28, 0.00392287/step, 1.99347 hours remaining, 112.109375 MB of memory in use. ENERGY: 670600 612.2084 1914.1783 2006.4551 103.3314 0.9201 -1062.8344 0.0000 0.0000 2693.0602 6267.3191 297.4560 3574.2589 6301.6698 303.4359 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: 2733.07, 0.0039235/step Wall: 2733.07, 0.0039235/step, 1.99357 hours remaining, 112.109375 MB of memory in use. ENERGY: 670800 668.2573 1829.6453 1953.0501 100.5524 1.8688 -1109.2664 0.0000 0.0000 2725.9464 6170.0540 301.0884 3444.1076 6202.4100 301.4157 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: 2733.85, 0.00391791/step Wall: 2733.85, 0.00391791/step, 1.99052 hours remaining, 112.109375 MB of memory in use. ENERGY: 671000 725.8641 1900.0840 1956.8744 113.8449 1.3514 -1119.7453 0.0000 0.0000 2658.2849 6236.5584 293.6150 3578.2735 6269.5216 301.3370 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: 2734.64, 0.00392268/step Wall: 2734.64, 0.00392268/step, 1.99272 hours remaining, 112.109375 MB of memory in use. ENERGY: 671200 662.5140 1884.4986 1928.3306 118.9060 0.9735 -1083.5085 0.0000 0.0000 2726.9583 6238.6724 301.2001 3511.7141 6270.1002 302.5406 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: 2735.42, 0.0039229/step Wall: 2735.42, 0.0039229/step, 1.99262 hours remaining, 112.109375 MB of memory in use. ENERGY: 671400 649.2200 1859.2995 1973.0960 119.1016 0.8835 -1135.1408 0.0000 0.0000 2767.3051 6233.7650 305.6566 3466.4599 6267.4676 302.7209 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: 2736.21, 0.00392102/step Wall: 2736.21, 0.00392102/step, 1.99144 hours remaining, 112.109375 MB of memory in use. ENERGY: 671600 666.5939 1842.1297 1952.8558 101.0198 1.6201 -1098.9419 0.0000 0.0000 2727.1241 6192.4015 301.2185 3465.2774 6226.5132 299.9103 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: 2736.99, 0.00392471/step Wall: 2736.99, 0.00392471/step, 1.9931 hours remaining, 112.109375 MB of memory in use. ENERGY: 671800 644.3018 1878.2272 1963.0656 102.3196 0.9915 -1102.0272 0.0000 0.0000 2756.7516 6243.6301 304.4909 3486.8785 6275.5171 300.5837 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: 2737.77, 0.00391747/step Wall: 2737.77, 0.00391747/step, 1.9892 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 672000 636.9810 1846.3641 1963.3287 111.1044 2.1622 -1090.9794 0.0000 0.0000 2749.3359 6218.2970 303.6718 3468.9611 6253.6237 302.0421 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: 2738.56, 0.00392444/step Wall: 2738.56, 0.00392444/step, 1.99253 hours remaining, 112.109375 MB of memory in use. ENERGY: 672200 658.1901 1847.5479 1960.3962 114.5042 2.1495 -1072.7386 0.0000 0.0000 2734.8387 6244.8880 302.0705 3510.0493 6277.0695 302.1976 LDB: ============= START OF LOAD BALANCING ============== 2741.26 LDB: ============== END OF LOAD BALANCING =============== 2741.26 LDB: =============== DONE WITH MIGRATION ================ 2741.26 LDB: ============= START OF LOAD BALANCING ============== 2741.65 LDB: ============== END OF LOAD BALANCING =============== 2741.65 LDB: =============== DONE WITH MIGRATION ================ 2741.65 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: 2739.34, 0.00392598/step Wall: 2739.34, 0.00392598/step, 1.99309 hours remaining, 112.109375 MB of memory in use. ENERGY: 672400 631.0846 1896.1005 1979.2643 109.5601 3.0745 -1094.6927 0.0000 0.0000 2702.1862 6226.5775 298.4640 3524.3913 6258.8856 300.6898 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: 2740.13, 0.00392099/step Wall: 2740.13, 0.00392099/step, 1.99034 hours remaining, 112.109375 MB of memory in use. ENERGY: 672600 684.3623 1872.5757 1938.4379 114.5545 1.4983 -1078.4903 0.0000 0.0000 2739.7923 6272.7305 302.6177 3532.9382 6304.6273 302.2930 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: 2740.91, 0.00392184/step Wall: 2740.91, 0.00392184/step, 1.99055 hours remaining, 112.109375 MB of memory in use. ENERGY: 672800 676.8453 1904.5177 1961.2491 125.7894 1.9832 -1157.6063 0.0000 0.0000 2760.0274 6272.8058 304.8527 3512.7784 6306.1814 304.9871 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: 2741.7, 0.00391598/step Wall: 2741.7, 0.00391598/step, 1.98736 hours remaining, 112.109375 MB of memory in use. ENERGY: 673000 658.4947 1846.8690 1955.3127 110.5303 3.0044 -1096.0983 0.0000 0.0000 2783.3926 6261.5054 307.4335 3478.1128 6296.9277 303.4814 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: 2742.48, 0.00392246/step Wall: 2742.48, 0.00392246/step, 1.99043 hours remaining, 112.109375 MB of memory in use. ENERGY: 673200 647.9645 1878.6724 1975.1502 117.6469 3.7242 -1108.9932 0.0000 0.0000 2758.9525 6273.1176 304.7340 3514.1650 6307.3622 304.3698 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: 2743.26, 0.00392177/step Wall: 2743.26, 0.00392177/step, 1.98986 hours remaining, 112.109375 MB of memory in use. ENERGY: 673400 662.9608 1899.0317 2003.7237 111.2009 4.3755 -1136.1489 0.0000 0.0000 2756.5564 6301.7002 304.4693 3545.1438 6336.5371 304.0447 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: 2744.05, 0.00392192/step Wall: 2744.05, 0.00392192/step, 1.98972 hours remaining, 112.109375 MB of memory in use. ENERGY: 673600 708.9340 1854.7878 1969.5866 116.2771 2.9796 -1123.0117 0.0000 0.0000 2733.5490 6263.1023 301.9281 3529.5534 6296.3880 305.1636 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: 2744.83, 0.00391558/step Wall: 2744.83, 0.00391558/step, 1.98629 hours remaining, 112.109375 MB of memory in use. ENERGY: 673800 640.6678 1850.0470 1971.7223 114.5991 3.7366 -1093.0373 0.0000 0.0000 2741.6711 6229.4065 302.8252 3487.7355 6264.3717 303.2528 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: 2745.62, 0.00392094/step Wall: 2745.62, 0.00392094/step, 1.98879 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 674000 673.8652 1906.8707 1977.4968 114.0608 4.3684 -1106.4061 0.0000 0.0000 2696.0193 6266.2751 297.7828 3570.2558 6299.1021 302.1362 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: 2746.4, 0.00392439/step Wall: 2746.4, 0.00392439/step, 1.99032 hours remaining, 112.109375 MB of memory in use. ENERGY: 674200 626.2458 1832.9658 1990.9415 109.9824 3.7873 -1111.1219 0.0000 0.0000 2840.7958 6293.5968 313.7738 3452.8010 6332.5943 304.4470 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: 2747.18, 0.00391909/step Wall: 2747.18, 0.00391909/step, 1.98741 hours remaining, 112.109375 MB of memory in use. ENERGY: 674400 657.6074 1872.6976 1955.2976 108.4600 4.1428 -1093.3675 0.0000 0.0000 2795.4299 6300.2679 308.7630 3504.8380 6334.7344 306.4298 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: 2747.97, 0.00391926/step Wall: 2747.97, 0.00391926/step, 1.98728 hours remaining, 112.109375 MB of memory in use. ENERGY: 674600 687.8312 1894.5806 1938.1470 95.5206 4.8628 -1090.2198 0.0000 0.0000 2779.3938 6310.1162 306.9918 3530.7224 6344.2836 304.5509 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: 2748.75, 0.00391546/step Wall: 2748.75, 0.00391546/step, 1.98514 hours remaining, 112.109375 MB of memory in use. ENERGY: 674800 645.9944 1883.9810 1983.6567 106.5374 4.1991 -1066.2270 0.0000 0.0000 2804.0412 6362.1829 309.7142 3558.1417 6395.0233 306.9387 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: 2749.54, 0.00392007/step Wall: 2749.54, 0.00392007/step, 1.98726 hours remaining, 112.109375 MB of memory in use. ENERGY: 675000 650.5244 1868.5487 1961.7580 111.2153 4.8832 -1071.2206 0.0000 0.0000 2764.2838 6289.9928 305.3228 3525.7090 6325.5267 306.9942 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: 2750.32, 0.00392105/step Wall: 2750.32, 0.00392105/step, 1.98754 hours remaining, 112.109375 MB of memory in use. ENERGY: 675200 665.3053 1853.6145 1962.9796 112.0418 3.6439 -1065.5944 0.0000 0.0000 2748.9138 6280.9045 303.6252 3531.9907 6315.5607 304.8700 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: 2751.1, 0.00392073/step Wall: 2751.1, 0.00392073/step, 1.98716 hours remaining, 112.109375 MB of memory in use. ENERGY: 675400 646.1462 1899.1416 1954.4663 108.7731 4.2863 -1082.6437 0.0000 0.0000 2735.8650 6266.0347 302.1839 3530.1697 6298.9630 304.2984 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: 2751.89, 0.00391931/step Wall: 2751.89, 0.00391931/step, 1.98622 hours remaining, 112.109375 MB of memory in use. ENERGY: 675600 642.4869 1870.7606 1976.1978 106.6858 3.9966 -1079.6605 0.0000 0.0000 2681.0308 6201.4981 296.1273 3520.4673 6233.3212 301.5846 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: 2752.67, 0.00391739/step Wall: 2752.67, 0.00391739/step, 1.98503 hours remaining, 112.109375 MB of memory in use. ENERGY: 675800 662.4196 1873.9057 1988.9357 106.5884 3.4287 -1117.9086 0.0000 0.0000 2751.2474 6268.6169 303.8829 3517.3695 6302.2274 303.0484 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: 2753.46, 0.00392044/step Wall: 2753.46, 0.00392044/step, 1.98636 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 676000 656.1640 1885.7535 1960.1493 114.7619 2.9848 -1123.0321 0.0000 0.0000 2734.2171 6230.9985 302.0019 3496.7814 6265.4712 303.4603 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: 2754.24, 0.00391996/step Wall: 2754.24, 0.00391996/step, 1.98589 hours remaining, 112.109375 MB of memory in use. ENERGY: 676200 631.5673 1847.8737 1958.7967 95.6294 3.4981 -1076.0992 0.0000 0.0000 2691.8668 6153.1329 297.3242 3461.2661 6184.5210 298.6682 LDB: ============= START OF LOAD BALANCING ============== 2756.94 LDB: ============== END OF LOAD BALANCING =============== 2756.94 LDB: =============== DONE WITH MIGRATION ================ 2756.94 LDB: ============= START OF LOAD BALANCING ============== 2757.33 LDB: ============== END OF LOAD BALANCING =============== 2757.33 LDB: =============== DONE WITH MIGRATION ================ 2757.33 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: 2755.02, 0.00392622/step Wall: 2755.02, 0.00392621/step, 1.98884 hours remaining, 112.109375 MB of memory in use. ENERGY: 676400 647.0230 1862.8721 1973.2521 93.1557 4.0311 -1122.7547 0.0000 0.0000 2667.4472 6125.0265 294.6270 3457.5793 6156.1872 296.1909 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: 2755.81, 0.00391579/step Wall: 2755.81, 0.00391579/step, 1.98335 hours remaining, 112.109375 MB of memory in use. ENERGY: 676600 657.7796 1821.9931 1949.8896 98.4688 4.2249 -1086.2242 0.0000 0.0000 2697.6709 6143.8028 297.9653 3446.1319 6176.3203 297.9974 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: 2756.59, 0.00392097/step Wall: 2756.59, 0.00392097/step, 1.98575 hours remaining, 112.109375 MB of memory in use. ENERGY: 676800 667.6859 1849.9003 1963.0136 93.1707 3.3194 -1111.6881 0.0000 0.0000 2692.6776 6158.0794 297.4137 3465.4018 6192.0687 297.1132 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: 2757.38, 0.0039264/step Wall: 2757.38, 0.0039264/step, 1.98828 hours remaining, 112.109375 MB of memory in use. ENERGY: 677000 684.8964 1853.1279 1933.2403 101.8139 3.6514 -1066.1661 0.0000 0.0000 2685.7842 6196.3479 296.6523 3510.5637 6229.4005 300.2975 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: 2758.16, 0.00392055/step Wall: 2758.16, 0.00392055/step, 1.9851 hours remaining, 112.109375 MB of memory in use. ENERGY: 677200 658.3660 1909.5844 1954.7029 97.9852 3.6578 -1135.1086 0.0000 0.0000 2751.5218 6240.7096 303.9132 3489.1878 6274.7441 301.7701 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: 2758.95, 0.00392183/step Wall: 2758.95, 0.00392184/step, 1.98554 hours remaining, 112.109375 MB of memory in use. ENERGY: 677400 665.9483 1925.9447 1972.8782 106.4346 4.5545 -1147.6212 0.0000 0.0000 2705.0400 6233.1790 298.7792 3528.1391 6267.3282 302.1066 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: 2759.73, 0.00391657/step Wall: 2759.73, 0.00391657/step, 1.98266 hours remaining, 112.109375 MB of memory in use. ENERGY: 677600 648.8157 1927.6145 1950.4865 112.0281 3.9439 -1102.0388 0.0000 0.0000 2714.6481 6255.4981 299.8404 3540.8500 6288.8026 301.7488 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: 2760.51, 0.0039223/step Wall: 2760.51, 0.0039223/step, 1.98534 hours remaining, 112.109375 MB of memory in use. ENERGY: 677800 635.0615 1852.6020 1944.5427 105.9089 3.8148 -1076.1436 0.0000 0.0000 2743.5006 6209.2871 303.0273 3465.7865 6243.2011 301.7715 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: 2761.3, 0.00392816/step Wall: 2761.3, 0.00392816/step, 1.98809 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 678000 694.7384 1869.7071 1962.3035 113.8422 3.0450 -1142.4495 0.0000 0.0000 2711.6493 6212.8360 299.5092 3501.1867 6243.9469 300.8684 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: 2762.08, 0.00392161/step Wall: 2762.08, 0.00392161/step, 1.98455 hours remaining, 112.109375 MB of memory in use. ENERGY: 678200 673.2420 1864.7827 1961.9018 106.1875 4.1546 -1099.6200 0.0000 0.0000 2667.1212 6177.7698 294.5910 3510.6486 6211.3833 298.1234 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: 2762.87, 0.00391706/step Wall: 2762.87, 0.00391706/step, 1.98203 hours remaining, 112.109375 MB of memory in use. ENERGY: 678400 658.5232 1873.4336 1985.9267 103.9710 3.6678 -1142.0664 0.0000 0.0000 2632.0352 6115.4911 290.7156 3483.4559 6147.8876 296.8735 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: 2763.65, 0.00392354/step Wall: 2763.65, 0.00392354/step, 1.9851 hours remaining, 112.109375 MB of memory in use. ENERGY: 678600 689.9293 1818.1854 1939.0537 113.3132 3.0951 -1143.0683 0.0000 0.0000 2706.9164 6127.4248 298.9865 3420.5084 6161.8857 296.8173 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: 2764.44, 0.00392393/step Wall: 2764.44, 0.00392393/step, 1.98507 hours remaining, 112.109375 MB of memory in use. ENERGY: 678800 633.3326 1856.6007 1966.7912 107.1732 2.3760 -1102.9438 0.0000 0.0000 2693.0776 6156.4074 297.4579 3463.3298 6190.6707 296.2255 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: 2765.22, 0.00392261/step Wall: 2765.22, 0.00392261/step, 1.98419 hours remaining, 112.109375 MB of memory in use. ENERGY: 679000 652.5256 1842.9546 1957.4056 103.0179 2.8058 -1077.3427 0.0000 0.0000 2661.3061 6142.6729 293.9487 3481.3668 6175.5335 296.0808 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: 2766.01, 0.0039363/step Wall: 2766.01, 0.0039363/step, 1.99089 hours remaining, 112.109375 MB of memory in use. ENERGY: 679200 666.1037 1898.5888 1940.6836 104.4259 2.9028 -1141.4854 0.0000 0.0000 2640.3827 6111.6020 291.6376 3471.2193 6144.2479 297.4656 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: 2766.79, 0.00392162/step Wall: 2766.79, 0.00392162/step, 1.98325 hours remaining, 112.109375 MB of memory in use. ENERGY: 679400 678.8082 1808.3739 1924.8409 102.0114 3.5731 -1075.3419 0.0000 0.0000 2656.7073 6098.9729 293.4407 3442.2656 6130.8558 295.7731 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: 2767.58, 0.00392422/step Wall: 2767.58, 0.00392422/step, 1.98435 hours remaining, 112.109375 MB of memory in use. ENERGY: 679600 632.0032 1797.5571 1941.1555 104.6308 4.0872 -1105.3256 0.0000 0.0000 2728.5643 6102.6727 301.3775 3374.1084 6136.0014 295.3884 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: 2768.37, 0.00394614/step Wall: 2768.37, 0.00394614/step, 1.99521 hours remaining, 112.109375 MB of memory in use. ENERGY: 679800 669.3903 1846.7336 1968.3353 100.1779 3.5822 -1089.4268 0.0000 0.0000 2629.6587 6128.4513 290.4531 3498.7925 6162.2773 295.0837 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: 2769.15, 0.00392355/step Wall: 2769.15, 0.00392355/step, 1.98357 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 680000 646.2262 1822.4799 1952.2850 108.2465 4.7224 -1070.7238 0.0000 0.0000 2657.3682 6120.6044 293.5137 3463.2362 6153.1689 294.3345 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 680000 WRITING COORDINATES TO DCD FILE MD.1.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: 2770, 0.00425961/step Wall: 2770, 0.00425961/step, 2.15323 hours remaining, 112.109375 MB of memory in use. ENERGY: 680200 681.0401 1843.0241 1946.3450 104.1179 4.1542 -1085.8833 0.0000 0.0000 2687.5669 6180.3650 296.8492 3492.7981 6211.2799 297.6142 LDB: ============= START OF LOAD BALANCING ============== 2772.7 LDB: ============== END OF LOAD BALANCING =============== 2772.7 LDB: =============== DONE WITH MIGRATION ================ 2772.7 LDB: ============= START OF LOAD BALANCING ============== 2773.1 LDB: ============== END OF LOAD BALANCING =============== 2773.1 LDB: =============== DONE WITH MIGRATION ================ 2773.1 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: 2770.79, 0.00392452/step Wall: 2770.79, 0.00392451/step, 1.98362 hours remaining, 112.109375 MB of memory in use. ENERGY: 680400 658.5062 1873.4276 1952.9089 102.3883 3.0329 -1144.2313 0.0000 0.0000 2704.6529 6150.6854 298.7364 3446.0325 6184.3747 298.1115 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: 2771.57, 0.00392429/step Wall: 2771.57, 0.0039243/step, 1.9833 hours remaining, 112.109375 MB of memory in use. ENERGY: 680600 631.6224 1859.9038 1970.8892 105.0787 2.5291 -1121.0870 0.0000 0.0000 2698.8179 6147.7542 298.0920 3448.9363 6179.0433 296.3543 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: 2772.36, 0.0039232/step Wall: 2772.36, 0.0039232/step, 1.98252 hours remaining, 112.109375 MB of memory in use. ENERGY: 680800 649.2129 1911.9991 1973.0750 91.2470 2.4993 -1111.3417 0.0000 0.0000 2697.9238 6214.6154 297.9932 3516.6916 6243.8767 297.2981 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: 2773.14, 0.00392262/step Wall: 2773.14, 0.00392262/step, 1.98201 hours remaining, 112.109375 MB of memory in use. ENERGY: 681000 620.8984 1840.5896 1975.7982 108.2114 3.2463 -1098.1288 0.0000 0.0000 2752.3828 6202.9979 304.0083 3450.6151 6239.3109 301.2897 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: 2773.93, 0.0039183/step Wall: 2773.93, 0.0039183/step, 1.97961 hours remaining, 112.109375 MB of memory in use. ENERGY: 681200 664.4601 1855.1145 1953.0779 103.6654 2.8628 -1113.2884 0.0000 0.0000 2727.6714 6193.5639 301.2789 3465.8924 6224.3947 300.5434 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: 2774.71, 0.00392163/step Wall: 2774.71, 0.00392163/step, 1.98107 hours remaining, 112.109375 MB of memory in use. ENERGY: 681400 666.1802 1789.1130 1935.2651 107.3279 2.0154 -1097.2141 0.0000 0.0000 2721.1564 6123.8439 300.5593 3402.6875 6157.1311 298.0466 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: 2775.49, 0.00392245/step Wall: 2775.49, 0.00392245/step, 1.98127 hours remaining, 112.109375 MB of memory in use. ENERGY: 681600 671.3180 1811.0500 1989.8154 118.4546 2.2009 -1092.9631 0.0000 0.0000 2669.7791 6169.6548 294.8845 3499.8757 6200.4972 296.0083 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: 2776.28, 0.00392187/step Wall: 2776.28, 0.00392186/step, 1.98076 hours remaining, 112.109375 MB of memory in use. ENERGY: 681800 656.9839 1798.8460 1959.1381 106.1816 2.5467 -1094.6353 0.0000 0.0000 2764.4857 6193.5468 305.3451 3429.0611 6230.0189 299.8548 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: 2777.06, 0.00392462/step Wall: 2777.06, 0.00392462/step, 1.98193 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 682000 637.2067 1807.6323 1983.7747 100.9124 2.7161 -1084.7903 0.0000 0.0000 2743.4021 6190.8540 303.0164 3447.4519 6221.6945 299.8252 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: 2777.85, 0.00391718/step Wall: 2777.85, 0.00391718/step, 1.97796 hours remaining, 112.109375 MB of memory in use. ENERGY: 682200 657.2935 1773.0953 1976.9418 109.8232 1.8987 -1087.9456 0.0000 0.0000 2754.0823 6185.1893 304.1961 3431.1070 6221.3057 300.8483 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: 2778.63, 0.00392387/step Wall: 2778.63, 0.00392387/step, 1.98112 hours remaining, 112.109375 MB of memory in use. ENERGY: 682400 662.0468 1878.5200 1936.5393 117.1579 2.2241 -1096.1450 0.0000 0.0000 2701.3359 6201.6789 298.3701 3500.3430 6232.0419 301.5606 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: 2779.42, 0.00392404/step Wall: 2779.42, 0.00392404/step, 1.98099 hours remaining, 112.109375 MB of memory in use. ENERGY: 682600 638.6248 1882.9256 1964.5073 110.1821 2.9087 -1106.2307 0.0000 0.0000 2687.9919 6180.9096 296.8962 3492.9177 6217.6405 300.2869 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: 2780.2, 0.0039233/step Wall: 2780.2, 0.0039233/step, 1.98039 hours remaining, 112.109375 MB of memory in use. ENERGY: 682800 634.9725 1848.7427 1948.1903 106.2480 3.5749 -1086.9357 0.0000 0.0000 2747.1099 6201.9027 303.4259 3454.7928 6232.0515 299.3308 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: 2780.99, 0.00392429/step Wall: 2780.99, 0.00392429/step, 1.98067 hours remaining, 112.109375 MB of memory in use. ENERGY: 683000 670.7388 1865.5650 1977.6668 107.1507 2.5710 -1104.5721 0.0000 0.0000 2681.1797 6200.2999 296.1438 3519.1202 6232.4558 300.1480 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: 2781.77, 0.00391899/step Wall: 2781.77, 0.00391899/step, 1.97778 hours remaining, 112.109375 MB of memory in use. ENERGY: 683200 675.5614 1854.0433 1975.8132 108.8928 1.8204 -1149.2304 0.0000 0.0000 2748.3024 6215.2032 303.5577 3466.9007 6250.0535 302.7977 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: 2782.56, 0.00392511/step Wall: 2782.56, 0.00392511/step, 1.98065 hours remaining, 112.109375 MB of memory in use. ENERGY: 683400 639.2933 1843.5942 1964.7288 102.1503 1.6731 -1133.8863 0.0000 0.0000 2749.6337 6167.1872 303.7047 3417.5535 6204.1865 301.3632 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: 2783.34, 0.00392584/step Wall: 2783.34, 0.00392584/step, 1.9808 hours remaining, 112.109375 MB of memory in use. ENERGY: 683600 643.3796 1853.3180 1970.6835 113.2561 3.1701 -1078.8051 0.0000 0.0000 2665.1739 6170.1761 294.3759 3505.0022 6201.1559 298.6875 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: 2784.13, 0.00392465/step Wall: 2784.13, 0.00392465/step, 1.97999 hours remaining, 112.109375 MB of memory in use. ENERGY: 683800 652.1755 1800.8074 1954.7272 111.0087 2.6353 -1115.8898 0.0000 0.0000 2734.8428 6140.3071 302.0710 3405.4643 6176.2298 298.7368 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: 2784.91, 0.00391844/step Wall: 2784.91, 0.00391844/step, 1.97664 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 684000 650.4045 1849.7935 1958.5900 110.9129 3.0276 -1109.9173 0.0000 0.0000 2686.4266 6149.2377 296.7233 3462.8111 6179.6192 297.0788 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: 2785.69, 0.00392424/step Wall: 2785.69, 0.00392424/step, 1.97934 hours remaining, 112.109375 MB of memory in use. ENERGY: 684200 628.0162 1820.3096 1941.5382 114.7387 1.4577 -1105.9479 0.0000 0.0000 2722.4801 6122.5926 300.7055 3400.1125 6156.4297 296.1337 LDB: ============= START OF LOAD BALANCING ============== 2788.4 LDB: ============== END OF LOAD BALANCING =============== 2788.4 LDB: =============== DONE WITH MIGRATION ================ 2788.4 LDB: ============= START OF LOAD BALANCING ============== 2788.79 LDB: ============== END OF LOAD BALANCING =============== 2788.79 LDB: =============== DONE WITH MIGRATION ================ 2788.79 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: 2786.48, 0.0039294/step Wall: 2786.48, 0.0039294/step, 1.98173 hours remaining, 112.109375 MB of memory in use. ENERGY: 684400 671.2855 1815.9155 1970.6560 122.9261 1.8563 -1130.8897 0.0000 0.0000 2697.1302 6148.8800 297.9055 3451.7497 6181.2723 297.9075 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: 2787.26, 0.00392441/step Wall: 2787.26, 0.00392441/step, 1.97899 hours remaining, 112.109375 MB of memory in use. ENERGY: 684600 650.4143 1845.1827 1949.2248 107.5440 1.6728 -1118.4089 0.0000 0.0000 2761.5141 6197.1439 305.0169 3435.6298 6229.0903 299.1948 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: 2788.05, 0.00392479/step Wall: 2788.05, 0.00392479/step, 1.97897 hours remaining, 112.109375 MB of memory in use. ENERGY: 684800 633.9080 1840.5801 1973.9255 115.4451 1.1954 -1085.1018 0.0000 0.0000 2660.0308 6139.9829 293.8078 3479.9522 6170.9939 297.9830 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: 2788.83, 0.00391929/step Wall: 2788.83, 0.00391929/step, 1.97598 hours remaining, 112.109375 MB of memory in use. ENERGY: 685000 642.2542 1759.3234 1966.3232 116.1781 1.8851 -1083.8744 0.0000 0.0000 2748.5551 6150.6449 303.5856 3402.0898 6187.0245 296.4522 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: 2789.62, 0.00392579/step Wall: 2789.62, 0.00392579/step, 1.97903 hours remaining, 112.109375 MB of memory in use. ENERGY: 685200 642.1660 1857.9724 1954.7112 103.4738 1.0873 -1082.3683 0.0000 0.0000 2689.4674 6166.5100 297.0592 3477.0426 6199.7458 297.1152 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: 2790.4, 0.00392545/step Wall: 2790.4, 0.00392545/step, 1.97865 hours remaining, 112.109375 MB of memory in use. ENERGY: 685400 671.9141 1875.0350 1963.6337 107.4933 1.9423 -1121.7652 0.0000 0.0000 2704.7577 6203.0109 298.7480 3498.2532 6234.0288 299.6635 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: 2791.19, 0.00392509/step Wall: 2791.19, 0.00392509/step, 1.97825 hours remaining, 112.109375 MB of memory in use. ENERGY: 685600 684.3509 1805.5505 2000.6485 122.7465 1.3922 -1145.8298 0.0000 0.0000 2770.6476 6239.5063 306.0257 3468.8588 6277.0688 303.9408 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: 2791.97, 0.00392411/step Wall: 2791.97, 0.00392411/step, 1.97753 hours remaining, 112.109375 MB of memory in use. ENERGY: 685800 669.9312 1846.7817 1936.0048 104.6352 1.5661 -1135.1521 0.0000 0.0000 2788.9337 6212.7006 308.0455 3423.7669 6248.4752 302.9280 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: 2792.76, 0.00391798/step Wall: 2792.76, 0.00391798/step, 1.97422 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 686000 677.2716 1862.7742 1971.9443 110.9588 2.8949 -1102.8327 0.0000 0.0000 2704.3665 6227.3775 298.7048 3523.0110 6257.5042 302.3261 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: 2793.54, 0.00392529/step Wall: 2793.54, 0.00392529/step, 1.97769 hours remaining, 112.109375 MB of memory in use. ENERGY: 686200 675.0900 1895.4608 1965.1266 121.5858 2.4282 -1086.1209 0.0000 0.0000 2720.0175 6293.5880 300.4335 3573.5705 6325.8137 301.9832 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: 2794.33, 0.00392532/step Wall: 2794.33, 0.00392532/step, 1.97749 hours remaining, 112.109375 MB of memory in use. ENERGY: 686400 671.6624 1861.6141 1995.7912 110.0711 2.7638 -1120.7264 0.0000 0.0000 2733.0958 6254.2720 301.8780 3521.1761 6284.5394 304.2955 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: 2795.11, 0.00392609/step Wall: 2795.11, 0.00392609/step, 1.97766 hours remaining, 112.109375 MB of memory in use. ENERGY: 686600 640.1712 1891.4525 1957.5422 122.5806 3.3361 -1099.3828 0.0000 0.0000 2721.0499 6236.7497 300.5475 3515.6999 6267.9698 303.8178 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: 2795.9, 0.00391888/step Wall: 2795.9, 0.00391888/step, 1.97381 hours remaining, 112.109375 MB of memory in use. ENERGY: 686800 668.0023 1843.4163 1984.2717 105.7673 1.8938 -1128.4068 0.0000 0.0000 2750.3868 6225.3313 303.7879 3474.9445 6259.0015 303.9693 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: 2796.68, 0.00392496/step Wall: 2796.68, 0.00392496/step, 1.97666 hours remaining, 112.109375 MB of memory in use. ENERGY: 687000 675.6111 1843.3374 1981.3826 95.3944 2.3956 -1094.5647 0.0000 0.0000 2750.7451 6254.3016 303.8275 3503.5565 6291.4321 301.6416 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: 2797.47, 0.00394011/step Wall: 2797.47, 0.00394011/step, 1.98407 hours remaining, 112.109375 MB of memory in use. ENERGY: 687200 662.2563 1856.9826 1952.2994 96.1419 2.1438 -1090.7401 0.0000 0.0000 2775.7685 6254.8523 306.5914 3479.0838 6287.5033 302.7107 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: 2798.25, 0.00392473/step Wall: 2798.25, 0.00392473/step, 1.9761 hours remaining, 112.109375 MB of memory in use. ENERGY: 687400 665.2050 1845.4410 1957.1392 104.6326 2.5342 -1112.0433 0.0000 0.0000 2712.3568 6175.2656 299.5874 3462.9087 6205.4931 302.2950 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: 2799.04, 0.00392498/step Wall: 2799.04, 0.00392498/step, 1.97601 hours remaining, 112.109375 MB of memory in use. ENERGY: 687600 645.1114 1825.4884 1930.9336 101.6107 3.0591 -1112.8756 0.0000 0.0000 2708.4068 6101.7344 299.1511 3393.3276 6135.2746 297.3917 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: 2799.82, 0.00391597/step Wall: 2799.82, 0.00391597/step, 1.97125 hours remaining, 112.109375 MB of memory in use. ENERGY: 687800 664.7503 1815.1872 1971.7542 108.9450 3.4429 -1105.7109 0.0000 0.0000 2676.0203 6134.3890 295.5739 3458.3687 6167.4774 295.2463 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: 2800.61, 0.00392255/step Wall: 2800.61, 0.00392255/step, 1.97435 hours remaining, 112.109375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 688000 626.0486 1842.0146 1955.9485 108.7067 2.5744 -1120.0391 0.0000 0.0000 2730.1984 6145.4521 301.5580 3415.2537 6181.2504 298.2525 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: 2801.39, 0.00392214/step Wall: 2801.39, 0.00392214/step, 1.97392 hours remaining, 112.109375 MB of memory in use. ENERGY: 688200 644.4190 1794.9602 1980.9000 99.6565 2.3083 -1098.2816 0.0000 0.0000 2713.2290 6137.1914 299.6837 3423.9624 6172.4571 297.5172 LDB: ============= START OF LOAD BALANCING ============== 2804.09 LDB: ============== END OF LOAD BALANCING =============== 2804.09 LDB: =============== DONE WITH MIGRATION ================ 2804.09 LDB: ============= START OF LOAD BALANCING ============== 2804.49 LDB: ============== END OF LOAD BALANCING =============== 2804.49 LDB: =============== DONE WITH MIGRATION ================ 2804.49 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: 2802.18, 0.00392726/step Wall: 2802.18, 0.00392726/step, 1.97629 hours remaining, 112.109375 MB of memory in use. ENERGY: 688400 669.7241 1816.8928 1969.4723 97.4289 2.1487 -1115.9463 0.0000 0.0000 2715.6790 6155.3995 299.9543 3439.7204 6190.1208 298.3469 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: 2802.96, 0.0039176/step Wall: 2802.96, 0.0039176/step, 1.97121 hours remaining, 112.109375 MB of memory in use. ENERGY: 688600 642.0513 1837.0534 1958.2231 112.4565 3.3101 -1105.0112 0.0000 0.0000 2647.5602 6095.6435 292.4304 3448.0833 6127.3587 297.2727 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: 2803.75, 0.00392573/step Wall: 2803.75, 0.00392573/step, 1.97508 hours remaining, 112.109375 MB of memory in use. ENERGY: 688800 639.4331 1848.6677 1939.5199 116.7690 1.6766 -1128.7263 0.0000 0.0000 2706.0529 6123.3929 298.8911 3417.3400 6156.7911 296.9679 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: 2804.53, 0.00392374/step Wall: 2804.53, 0.00392374/step, 1.97386 hours remaining, 112.109375 MB of memory in use. ENERGY: 689000 626.6853 1818.8797 1945.8201 102.0241 0.9987 -1106.6286 0.0000 0.0000 2720.2829 6108.0622 300.4628 3387.7793 6140.7848 298.0626 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: 2805.32, 0.00392304/step Wall: 2805.32, 0.00392304/step, 1.97329 hours remaining, 112.109375 MB of memory in use. ENERGY: 689200 674.7795 1811.2906 1956.7901 105.0621 1.6408 -1084.4329 0.0000 0.0000 2658.9194 6124.0496 293.6851 3465.1302 6156.3958 295.7643 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: 2806.1, 0.00392315/step Wall: 2806.1, 0.00392315/step, 1.97312 hours remaining, 112.109375 MB of memory in use. ENERGY: 689400 639.2607 1861.8783 1937.2268 104.1133 2.6878 -1095.3986 0.0000 0.0000 2703.7531 6153.5213 298.6371 3449.7682 6186.7410 295.7647 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: 2806.88, 0.00391572/step Wall: 2806.88, 0.00391572/step, 1.96917 hours remaining, 112.113281 MB of memory in use. ENERGY: 689600 652.4878 1841.4762 1986.8430 108.5532 3.3911 -1107.0192 0.0000 0.0000 2756.4217 6242.1538 304.4545 3485.7321 6273.6688 301.1268 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: 2807.67, 0.00392194/step Wall: 2807.67, 0.00392194/step, 1.97208 hours remaining, 112.113281 MB of memory in use. ENERGY: 689800 648.2324 1853.7724 1971.6823 98.8736 1.8204 -1090.6215 0.0000 0.0000 2762.0221 6245.7817 305.0730 3483.7595 6279.8339 302.4206 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: 2808.45, 0.0039229/step Wall: 2808.45, 0.0039229/step, 1.97235 hours remaining, 112.113281 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 690000 696.4250 1831.5866 1972.4619 102.0491 1.2023 -1092.5879 0.0000 0.0000 2705.6111 6216.7481 298.8423 3511.1370 6249.2023 300.3541 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 690000 WRITING COORDINATES TO DCD FILE MD.1.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: 2809.27, 0.00410965/step Wall: 2809.27, 0.00410965/step, 2.06601 hours remaining, 112.113281 MB of memory in use. ENERGY: 690200 659.9799 1845.0488 1973.3363 107.4845 1.4603 -1113.0582 0.0000 0.0000 2732.5084 6206.7600 301.8132 3474.2516 6241.4616 299.6222 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: 2810.06, 0.00392261/step Wall: 2810.06, 0.00392261/step, 1.97177 hours remaining, 112.113281 MB of memory in use. ENERGY: 690400 658.8973 1875.8781 2002.2216 103.7123 2.7939 -1041.6057 0.0000 0.0000 2694.7995 6296.6969 297.6481 3601.8974 6327.9101 301.3200 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: 2810.84, 0.00391657/step Wall: 2810.84, 0.00391657/step, 1.96851 hours remaining, 112.113281 MB of memory in use. ENERGY: 690600 644.1523 1847.5389 1975.7380 110.2729 3.4156 -1095.8359 0.0000 0.0000 2784.1782 6269.4601 307.5202 3485.2819 6304.3241 302.9960 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: 2811.63, 0.00392217/step Wall: 2811.63, 0.00392217/step, 1.97111 hours remaining, 112.113281 MB of memory in use. ENERGY: 690800 632.1796 1831.1477 1984.4858 109.0460 3.1089 -1078.7823 0.0000 0.0000 2758.9909 6240.1766 304.7382 3481.1858 6272.8536 302.5878 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: 2812.41, 0.00392407/step Wall: 2812.41, 0.00392407/step, 1.97185 hours remaining, 112.113281 MB of memory in use. ENERGY: 691000 637.0999 1869.6839 1987.1787 112.7718 3.9685 -1097.8539 0.0000 0.0000 2733.2991 6246.1479 301.9005 3512.8488 6280.4938 302.0674 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: 2813.2, 0.00392211/step Wall: 2813.2, 0.00392211/step, 1.97064 hours remaining, 112.113281 MB of memory in use. ENERGY: 691200 675.8363 1869.0567 1968.6012 109.5348 3.5632 -1108.6860 0.0000 0.0000 2769.6076 6287.5138 305.9109 3517.9062 6321.4258 302.3566 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: 2813.98, 0.00391558/step Wall: 2813.98, 0.00391558/step, 1.96714 hours remaining, 112.113281 MB of memory in use. ENERGY: 691400 646.1022 1899.4896 1993.9295 101.8846 2.6382 -1089.9153 0.0000 0.0000 2694.3204 6248.4493 297.5952 3554.1289 6279.7126 303.0264 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: 2814.76, 0.00392142/step Wall: 2814.76, 0.00392142/step, 1.96986 hours remaining, 112.113281 MB of memory in use. ENERGY: 691600 650.5864 1869.3631 1946.1685 97.2916 3.1048 -1075.0309 0.0000 0.0000 2706.4712 6197.9546 298.9373 3491.4834 6232.5081 300.2645 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: 2815.55, 0.00392274/step Wall: 2815.55, 0.00392274/step, 1.97031 hours remaining, 112.113281 MB of memory in use. ENERGY: 691800 673.4218 1892.3853 1956.9652 121.4899 3.7842 -1150.4584 0.0000 0.0000 2712.9198 6210.5078 299.6496 3497.5880 6241.8243 300.1992 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: 2816.33, 0.00392278/step Wall: 2816.33, 0.00392277/step, 1.9701 hours remaining, 112.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 692000 628.0775 1831.0284 1938.7121 105.5259 3.9156 -1106.4499 0.0000 0.0000 2757.9708 6158.7804 304.6256 3400.8096 6190.9701 299.6978 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: 2817.12, 0.00392377/step Wall: 2817.12, 0.00392377/step, 1.97039 hours remaining, 112.117188 MB of memory in use. ENERGY: 692200 658.3685 1897.0053 1984.0793 102.5164 3.3067 -1111.4683 0.0000 0.0000 2656.6174 6190.4253 293.4308 3533.8079 6223.8113 298.1660 LDB: ============= START OF LOAD BALANCING ============== 2819.82 LDB: ============== END OF LOAD BALANCING =============== 2819.82 LDB: =============== DONE WITH MIGRATION ================ 2819.82 LDB: ============= START OF LOAD BALANCING ============== 2820.21 LDB: ============== END OF LOAD BALANCING =============== 2820.21 LDB: =============== DONE WITH MIGRATION ================ 2820.21 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: 2817.9, 0.00392193/step Wall: 2817.9, 0.00392193/step, 1.96924 hours remaining, 112.117188 MB of memory in use. ENERGY: 692400 649.7780 1813.7242 1967.7025 114.3140 3.6073 -1081.9419 0.0000 0.0000 2689.8139 6156.9980 297.0974 3467.1841 6190.0807 298.1928 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: 2818.69, 0.00392469/step Wall: 2818.69, 0.00392469/step, 1.97041 hours remaining, 112.117188 MB of memory in use. ENERGY: 692600 619.9608 1860.0303 1960.1583 108.3694 1.7072 -1105.8346 0.0000 0.0000 2724.3242 6168.7156 300.9092 3444.3914 6203.5440 298.1015 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: 2819.47, 0.00392436/step Wall: 2819.47, 0.00392436/step, 1.97003 hours remaining, 112.117188 MB of memory in use. ENERGY: 692800 637.0632 1877.1322 1975.3816 107.3504 1.9006 -1097.5299 0.0000 0.0000 2670.4199 6171.7179 294.9553 3501.2980 6202.2292 299.2415 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: 2820.26, 0.00392321/step Wall: 2820.26, 0.00392321/step, 1.96923 hours remaining, 112.117188 MB of memory in use. ENERGY: 693000 668.4765 1811.2999 1939.5870 114.9170 2.2155 -1093.6080 0.0000 0.0000 2692.6982 6135.5862 297.4160 3442.8880 6167.9981 298.3924 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: 2821.04, 0.00392374/step Wall: 2821.04, 0.00392374/step, 1.96928 hours remaining, 112.117188 MB of memory in use. ENERGY: 693200 631.3103 1861.6266 1972.2430 110.9522 2.9626 -1082.6701 0.0000 0.0000 2694.5795 6191.0041 297.6238 3496.4246 6223.6748 297.7596 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: 2821.82, 0.00391753/step Wall: 2821.82, 0.00391753/step, 1.96595 hours remaining, 112.117188 MB of memory in use. ENERGY: 693400 662.6151 1842.3217 1929.3461 104.5332 2.6958 -1092.2190 0.0000 0.0000 2700.7206 6150.0134 298.3021 3449.2928 6183.7898 299.7569 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: 2822.61, 0.00392307/step Wall: 2822.61, 0.00392307/step, 1.96851 hours remaining, 112.117188 MB of memory in use. ENERGY: 693600 664.3207 1854.5324 1971.8634 101.5481 1.1525 -1103.6909 0.0000 0.0000 2696.0905 6185.8168 297.7907 3489.7264 6218.4111 298.1839 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: 2823.39, 0.00392366/step Wall: 2823.39, 0.00392365/step, 1.96858 hours remaining, 112.117188 MB of memory in use. ENERGY: 693800 698.2420 1865.0850 1962.2691 115.3503 2.1541 -1146.6726 0.0000 0.0000 2710.4091 6206.8369 299.3722 3496.4278 6238.5440 300.5596 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: 2824.18, 0.00392285/step Wall: 2824.18, 0.00392285/step, 1.96796 hours remaining, 112.117188 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 694000 644.5113 1889.1119 1961.8241 119.8195 2.4674 -1109.7210 0.0000 0.0000 2671.1380 6179.1514 295.0346 3508.0133 6212.2803 301.7702 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: 2824.96, 0.00391719/step Wall: 2824.96, 0.00391719/step, 1.9649 hours remaining, 112.117188 MB of memory in use. ENERGY: 694200 615.5348 1802.2386 1992.5886 108.9675 2.9724 -1097.0610 0.0000 0.0000 2765.5523 6190.7932 305.4630 3425.2409 6224.2536 299.9015 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: 2825.75, 0.0039221/step Wall: 2825.75, 0.0039221/step, 1.96715 hours remaining, 112.117188 MB of memory in use. ENERGY: 694400 666.8514 1844.9050 1944.3839 114.1017 2.8430 -1120.4684 0.0000 0.0000 2758.2622 6210.8788 304.6577 3452.6167 6245.3733 302.1426 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: 2826.53, 0.00393512/step Wall: 2826.53, 0.00393512/step, 1.97346 hours remaining, 112.117188 MB of memory in use. ENERGY: 694600 664.9822 1847.1264 1967.1562 122.8165 2.9727 -1109.1251 0.0000 0.0000 2678.7050 6174.6337 295.8704 3495.9288 6206.9249 300.1031 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: 2827.32, 0.00392574/step Wall: 2827.32, 0.00392574/step, 1.96854 hours remaining, 112.117188 MB of memory in use. ENERGY: 694800 664.5019 1839.3961 1949.0500 116.9948 1.6405 -1129.5646 0.0000 0.0000 2720.7820 6162.8008 300.5180 3442.0187 6198.7260 297.9290 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: 2828.1, 0.00392387/step Wall: 2828.1, 0.00392387/step, 1.96738 hours remaining, 112.121094 MB of memory in use. ENERGY: 695000 634.3973 1893.0348 1960.1469 111.6266 2.7607 -1097.8398 0.0000 0.0000 2690.4639 6194.5905 297.1692 3504.1266 6227.8278 300.0570 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: 2828.89, 0.00391674/step Wall: 2828.89, 0.00391674/step, 1.96359 hours remaining, 112.121094 MB of memory in use. ENERGY: 695200 660.7060 1862.8887 1962.3468 109.6091 0.8918 -1140.3415 0.0000 0.0000 2702.1747 6158.2756 298.4627 3456.1009 6190.6801 299.4208 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: 2829.67, 0.00392309/step Wall: 2829.67, 0.00392309/step, 1.96656 hours remaining, 112.121094 MB of memory in use. ENERGY: 695400 617.7684 1831.1247 1969.8465 113.5653 1.9326 -1099.4032 0.0000 0.0000 2688.5148 6123.3492 296.9539 3434.8344 6156.3461 297.1444 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: 2830.46, 0.00392454/step Wall: 2830.46, 0.00392454/step, 1.96706 hours remaining, 112.121094 MB of memory in use. ENERGY: 695600 628.0297 1873.7017 1971.4779 101.1136 2.4250 -1102.2134 0.0000 0.0000 2668.0067 6142.5411 294.6888 3474.5344 6173.4746 297.3765 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: 2831.24, 0.00392313/step Wall: 2831.24, 0.00392313/step, 1.96614 hours remaining, 112.121094 MB of memory in use. ENERGY: 695800 638.6155 1861.3357 1980.4200 109.9397 3.6810 -1125.7956 0.0000 0.0000 2717.9961 6186.1924 300.2102 3468.1963 6218.5048 300.0352 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: 2832.02, 0.00391636/step Wall: 2832.02, 0.00391636/step, 1.96253 hours remaining, 112.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 696000 649.9146 1848.6662 1979.8147 110.0905 3.7449 -1114.3916 0.0000 0.0000 2667.6631 6145.5024 294.6508 3477.8393 6180.1223 299.8053 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: 2832.81, 0.00392154/step Wall: 2832.81, 0.00392154/step, 1.96491 hours remaining, 112.121094 MB of memory in use. ENERGY: 696200 634.9938 1794.4509 1963.3218 117.9087 2.2708 -1095.4004 0.0000 0.0000 2729.2336 6146.7792 301.4515 3417.5456 6181.1033 299.8506 LDB: ============= START OF LOAD BALANCING ============== 2835.51 LDB: ============== END OF LOAD BALANCING =============== 2835.51 LDB: =============== DONE WITH MIGRATION ================ 2835.51 LDB: ============= START OF LOAD BALANCING ============== 2835.9 LDB: ============== END OF LOAD BALANCING =============== 2835.9 LDB: =============== DONE WITH MIGRATION ================ 2835.9 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: 2833.59, 0.00392689/step Wall: 2833.59, 0.00392689/step, 1.96737 hours remaining, 112.121094 MB of memory in use. ENERGY: 696400 622.0547 1826.2831 1969.7883 114.3263 1.5083 -1057.4538 0.0000 0.0000 2685.6960 6162.2030 296.6426 3476.5070 6197.1026 297.6499 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: 2834.38, 0.00392383/step Wall: 2834.38, 0.00392383/step, 1.96562 hours remaining, 112.121094 MB of memory in use. ENERGY: 696600 695.0158 1768.4250 1977.5757 101.7650 1.5733 -1099.7037 0.0000 0.0000 2694.8718 6139.5229 297.6561 3444.6511 6173.0410 296.5841 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: 2835.16, 0.00392298/step Wall: 2835.16, 0.00392297/step, 1.96497 hours remaining, 112.121094 MB of memory in use. ENERGY: 696800 641.9441 1843.9894 1975.2395 103.1072 2.0816 -1132.0392 0.0000 0.0000 2691.0304 6125.3531 297.2318 3434.3227 6155.9613 295.7225 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: 2835.95, 0.00391585/step Wall: 2835.95, 0.00391586/step, 1.96119 hours remaining, 112.121094 MB of memory in use. ENERGY: 697000 674.1462 1805.3152 2004.3501 105.5351 2.6922 -1122.9095 0.0000 0.0000 2703.3107 6172.4400 298.5882 3469.1293 6205.1996 297.3059 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: 2836.73, 0.00392255/step Wall: 2836.73, 0.00392254/step, 1.96432 hours remaining, 112.121094 MB of memory in use. ENERGY: 697200 634.5560 1822.6766 1953.9192 102.0485 1.8528 -1052.2865 0.0000 0.0000 2690.1947 6152.9613 297.1395 3462.7666 6185.4123 297.1691 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: 2837.52, 0.00393557/step Wall: 2837.52, 0.00393558/step, 1.97063 hours remaining, 112.121094 MB of memory in use. ENERGY: 697400 642.7078 1908.7109 1957.5876 120.6701 3.3634 -1112.6116 0.0000 0.0000 2634.3191 6154.7474 290.9679 3520.4283 6185.1988 297.9929 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: 2838.3, 0.00392133/step Wall: 2838.3, 0.00392133/step, 1.96328 hours remaining, 112.125000 MB of memory in use. ENERGY: 697600 632.5165 1856.5000 1951.8842 101.7716 1.7950 -1102.6296 0.0000 0.0000 2763.7697 6205.6073 305.2661 3441.8376 6239.7039 300.4020 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: 2839.08, 0.00391642/step Wall: 2839.08, 0.00391642/step, 1.9606 hours remaining, 112.125000 MB of memory in use. ENERGY: 697800 697.8277 1818.6729 1952.9636 117.5343 1.4093 -1092.5333 0.0000 0.0000 2707.3593 6203.2338 299.0354 3495.8746 6234.9219 301.7581 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: 2839.87, 0.00392432/step Wall: 2839.87, 0.00392432/step, 1.96434 hours remaining, 112.125000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 698000 646.6569 1823.7121 1953.1745 96.1481 2.3354 -1101.5882 0.0000 0.0000 2756.2815 6176.7202 304.4390 3420.4387 6210.1529 298.9338 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: 2840.65, 0.00392295/step Wall: 2840.65, 0.00392295/step, 1.96344 hours remaining, 112.125000 MB of memory in use. ENERGY: 698200 672.6961 1858.1402 1996.8986 116.4906 -0.5606 -1110.9814 0.0000 0.0000 2715.9595 6248.6429 299.9853 3532.6835 6281.7854 299.5438 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: 2841.44, 0.00392289/step Wall: 2841.44, 0.00392289/step, 1.96319 hours remaining, 112.125000 MB of memory in use. ENERGY: 698400 669.9624 1819.3912 1955.6178 118.7939 2.6071 -1090.7775 0.0000 0.0000 2752.2466 6227.8415 303.9933 3475.5950 6260.7403 301.7071 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: 2842.22, 0.00392198/step Wall: 2842.22, 0.00392198/step, 1.96252 hours remaining, 112.125000 MB of memory in use. ENERGY: 698600 656.7270 1859.6316 1982.4948 102.7431 2.9647 -1114.9932 0.0000 0.0000 2788.0018 6277.5698 307.9426 3489.5680 6312.9557 304.4906 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: 2843.01, 0.00391719/step Wall: 2843.01, 0.00391719/step, 1.9599 hours remaining, 112.125000 MB of memory in use. ENERGY: 698800 656.7961 1874.7016 2001.8336 123.5100 3.0204 -1130.6410 0.0000 0.0000 2769.5593 6298.7801 305.9055 3529.2208 6330.7064 303.7357 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: 2843.79, 0.00392465/step Wall: 2843.79, 0.00392465/step, 1.96341 hours remaining, 112.132812 MB of memory in use. ENERGY: 699000 711.4902 1854.7789 1999.8741 108.7468 2.0849 -1107.7911 0.0000 0.0000 2718.2313 6287.4151 300.2362 3569.1838 6320.2783 303.7436 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: 2844.58, 0.00392251/step Wall: 2844.58, 0.00392251/step, 1.96213 hours remaining, 112.132812 MB of memory in use. ENERGY: 699200 669.3830 1895.5505 1989.9551 112.0442 1.5116 -1105.7038 0.0000 0.0000 2752.2635 6315.0042 303.9952 3562.7407 6347.8865 305.1976 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: 2845.36, 0.00392296/step Wall: 2845.36, 0.00392296/step, 1.96214 hours remaining, 112.132812 MB of memory in use. ENERGY: 699400 650.5276 1798.2905 1995.9106 109.8510 0.2141 -1090.3566 0.0000 0.0000 2790.1815 6254.6187 308.1833 3464.4372 6290.6306 304.4689 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: 2846.14, 0.0039155/step Wall: 2846.14, 0.0039155/step, 1.95818 hours remaining, 112.132812 MB of memory in use. ENERGY: 699600 612.0859 1898.5237 1988.0790 103.9555 1.0799 -1086.1472 0.0000 0.0000 2715.6037 6233.1805 299.9460 3517.5767 6264.8950 302.7210 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: 2846.93, 0.00392318/step Wall: 2846.93, 0.00392318/step, 1.96181 hours remaining, 112.132812 MB of memory in use. ENERGY: 699800 613.9740 1878.1449 1973.7256 106.2984 2.4959 -1131.6406 0.0000 0.0000 2715.9645 6158.9627 299.9858 3442.9982 6192.3450 299.5423 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: 2847.71, 0.0039241/step Wall: 2847.71, 0.0039241/step, 1.96205 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 700000 651.7865 1858.5052 1978.4904 112.9315 2.7660 -1118.7745 0.0000 0.0000 2621.2784 6106.9835 289.5275 3485.7051 6137.9057 296.1192 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 700000 WRITING COORDINATES TO DCD FILE MD.1.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: 2848.54, 0.00411656/step Wall: 2848.54, 0.00411656/step, 2.05805 hours remaining, 112.273438 MB of memory in use. ENERGY: 700200 660.5143 1856.2689 1986.6900 111.4420 2.1403 -1122.9645 0.0000 0.0000 2630.8515 6124.9426 290.5849 3494.0911 6156.9159 295.9672 LDB: ============= START OF LOAD BALANCING ============== 2851.24 LDB: ============== END OF LOAD BALANCING =============== 2851.24 LDB: =============== DONE WITH MIGRATION ================ 2851.24 LDB: ============= START OF LOAD BALANCING ============== 2851.63 LDB: ============== END OF LOAD BALANCING =============== 2851.63 LDB: =============== DONE WITH MIGRATION ================ 2851.63 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: 2849.32, 0.00393016/step Wall: 2849.32, 0.00393016/step, 1.96464 hours remaining, 112.273438 MB of memory in use. ENERGY: 700400 650.4960 1851.6054 1975.1405 114.4412 1.9381 -1106.2639 0.0000 0.0000 2654.4120 6141.7693 293.1872 3487.3573 6173.6484 296.7401 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: 2850.11, 0.00391775/step Wall: 2850.11, 0.00391775/step, 1.95822 hours remaining, 112.273438 MB of memory in use. ENERGY: 700600 631.0934 1846.6900 1963.7193 115.9682 1.4304 -1140.6547 0.0000 0.0000 2699.2571 6117.5036 298.1405 3418.2466 6153.5027 297.5147 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: 2850.89, 0.00392446/step Wall: 2850.89, 0.00392446/step, 1.96136 hours remaining, 112.273438 MB of memory in use. ENERGY: 700800 685.9318 1827.9177 1949.4137 114.7556 2.3380 -1134.2833 0.0000 0.0000 2653.6503 6099.7239 293.1031 3446.0736 6131.6739 295.8978 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: 2851.67, 0.00392129/step Wall: 2851.67, 0.00392129/step, 1.95956 hours remaining, 112.273438 MB of memory in use. ENERGY: 701000 655.4467 1838.0033 1938.4080 109.0273 2.1795 -1119.1489 0.0000 0.0000 2671.7298 6095.6457 295.1000 3423.9159 6127.7583 295.7426 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: 2852.46, 0.00392214/step Wall: 2852.46, 0.00392213/step, 1.95976 hours remaining, 112.273438 MB of memory in use. ENERGY: 701200 641.1051 1801.5244 1992.3662 105.9983 2.8441 -1139.6254 0.0000 0.0000 2683.4653 6087.6779 296.3962 3404.2126 6123.9242 294.5077 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: 2853.24, 0.00392138/step Wall: 2853.24, 0.00392139/step, 1.95917 hours remaining, 112.273438 MB of memory in use. ENERGY: 701400 686.2507 1809.1525 1975.1511 103.8735 3.3828 -1121.9449 0.0000 0.0000 2682.3688 6138.2344 296.2751 3455.8656 6171.6275 296.8116 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: 2854.03, 0.00391669/step Wall: 2854.03, 0.00391669/step, 1.9566 hours remaining, 112.273438 MB of memory in use. ENERGY: 701600 667.8518 1857.9688 1990.6048 103.8229 3.2380 -1147.8433 0.0000 0.0000 2653.2946 6128.9375 293.0638 3475.6429 6160.3409 296.3379 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: 2854.81, 0.00392169/step Wall: 2854.81, 0.00392169/step, 1.95888 hours remaining, 112.273438 MB of memory in use. ENERGY: 701800 635.3172 1849.5057 1941.6466 96.5406 1.8873 -1153.3110 0.0000 0.0000 2721.5584 6093.1449 300.6037 3371.5865 6127.8325 295.5490 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: 2855.6, 0.00392186/step Wall: 2855.6, 0.00392186/step, 1.95875 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 702000 656.6626 1879.3728 1954.3572 105.8765 3.6253 -1102.3623 0.0000 0.0000 2662.7654 6160.2974 294.1099 3497.5320 6192.6664 298.4630 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: 2856.38, 0.00392195/step Wall: 2856.38, 0.00392195/step, 1.95858 hours remaining, 112.273438 MB of memory in use. ENERGY: 702200 622.3148 1867.0386 1966.9402 113.6886 4.6864 -1083.9249 0.0000 0.0000 2611.8480 6102.5918 288.4859 3490.7437 6132.7724 296.2602 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: 2857.16, 0.00391688/step Wall: 2857.16, 0.00391688/step, 1.95583 hours remaining, 112.273438 MB of memory in use. ENERGY: 702400 673.0889 1874.3067 1930.5358 97.9701 3.1582 -1139.7329 0.0000 0.0000 2703.0091 6142.3359 298.5549 3439.3268 6174.4495 296.3401 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: 2857.95, 0.00392309/step Wall: 2857.95, 0.00392309/step, 1.95871 hours remaining, 112.273438 MB of memory in use. ENERGY: 702600 633.0972 1890.0008 1954.1203 102.4883 2.5437 -1116.5612 0.0000 0.0000 2627.8897 6093.5789 290.2577 3465.6892 6125.5257 295.0156 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: 2858.73, 0.00392529/step Wall: 2858.73, 0.00392529/step, 1.95959 hours remaining, 112.273438 MB of memory in use. ENERGY: 702800 643.9045 1898.7651 1922.1530 107.1164 1.8222 -1131.9931 0.0000 0.0000 2692.1956 6133.9637 297.3605 3441.7682 6166.7125 295.4962 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: 2859.52, 0.00392177/step Wall: 2859.52, 0.00392177/step, 1.95761 hours remaining, 112.273438 MB of memory in use. ENERGY: 703000 676.5830 1822.4371 1948.9003 116.2611 1.3987 -1098.1156 0.0000 0.0000 2733.7908 6201.2555 301.9548 3467.4647 6235.6670 298.9076 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: 2860.3, 0.00392091/step Wall: 2860.3, 0.00392091/step, 1.95697 hours remaining, 112.273438 MB of memory in use. ENERGY: 703200 632.8137 1860.8536 1951.6400 111.5306 2.4589 -1097.3264 0.0000 0.0000 2781.6456 6243.6160 307.2405 3461.9704 6278.8660 302.6096 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: 2861.09, 0.00391678/step Wall: 2861.09, 0.00391678/step, 1.95469 hours remaining, 112.273438 MB of memory in use. ENERGY: 703400 666.7496 1878.4071 1987.0554 105.1980 3.9283 -1105.3573 0.0000 0.0000 2701.0779 6237.0590 298.3416 3535.9811 6265.9098 301.7805 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: 2861.87, 0.0039212/step Wall: 2861.87, 0.0039212/step, 1.95668 hours remaining, 112.273438 MB of memory in use. ENERGY: 703600 637.8911 1864.4015 1987.6536 111.8651 1.9711 -1117.0072 0.0000 0.0000 2705.6080 6192.3832 298.8419 3486.7752 6227.7439 301.0716 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: 2862.65, 0.00392069/step Wall: 2862.65, 0.00392069/step, 1.9562 hours remaining, 112.273438 MB of memory in use. ENERGY: 703800 637.1569 1876.0098 1971.7134 107.1041 2.9923 -1093.1561 0.0000 0.0000 2688.0801 6189.9005 296.9059 3501.8204 6222.7980 298.0018 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: 2863.44, 0.00392352/step Wall: 2863.44, 0.00392352/step, 1.9574 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 704000 669.7995 1822.4809 1927.0505 101.2663 2.8221 -1075.2100 0.0000 0.0000 2706.4814 6154.6908 298.9384 3448.2094 6189.8817 299.4481 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: 2864.22, 0.00391788/step Wall: 2864.22, 0.00391788/step, 1.95437 hours remaining, 112.273438 MB of memory in use. ENERGY: 704200 691.1577 1857.7234 1973.5451 99.5156 0.8899 -1117.9596 0.0000 0.0000 2629.6889 6134.5609 290.4565 3504.8721 6164.8643 296.0333 LDB: ============= START OF LOAD BALANCING ============== 2866.92 LDB: ============== END OF LOAD BALANCING =============== 2866.92 LDB: =============== DONE WITH MIGRATION ================ 2866.92 LDB: ============= START OF LOAD BALANCING ============== 2867.32 LDB: ============== END OF LOAD BALANCING =============== 2867.32 LDB: =============== DONE WITH MIGRATION ================ 2867.32 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: 2865.01, 0.00392399/step Wall: 2865.01, 0.00392399/step, 1.9572 hours remaining, 112.273438 MB of memory in use. ENERGY: 704400 637.6637 1896.1846 1999.3460 93.8445 2.3845 -1145.0038 0.0000 0.0000 2688.3447 6172.7643 296.9352 3484.4196 6206.2045 298.3375 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: 2865.79, 0.00392195/step Wall: 2865.79, 0.00392195/step, 1.95597 hours remaining, 112.273438 MB of memory in use. ENERGY: 704600 684.5764 1783.7027 1972.1204 116.6318 3.7244 -1121.2072 0.0000 0.0000 2732.9312 6172.4796 301.8599 3439.5484 6206.2121 298.9880 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: 2866.57, 0.00392074/step Wall: 2866.57, 0.00392074/step, 1.95514 hours remaining, 112.273438 MB of memory in use. ENERGY: 704800 646.7854 1851.9900 1979.4765 101.8562 4.0509 -1113.2342 0.0000 0.0000 2714.3295 6185.2543 299.8053 3470.9248 6217.5954 299.0123 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: 2867.36, 0.00392148/step Wall: 2867.36, 0.00392148/step, 1.95529 hours remaining, 112.273438 MB of memory in use. ENERGY: 705000 657.8528 1823.2885 1943.0925 111.3333 2.0907 -1117.0251 0.0000 0.0000 2765.7236 6186.3563 305.4819 3420.6327 6220.5988 300.1533 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: 2868.14, 0.00391554/step Wall: 2868.14, 0.00391554/step, 1.95212 hours remaining, 112.273438 MB of memory in use. ENERGY: 705200 661.0702 1839.7314 1962.3139 106.5490 1.1214 -1078.1512 0.0000 0.0000 2663.7718 6156.4064 294.2210 3492.6346 6188.7308 298.5787 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: 2868.93, 0.003923/step Wall: 2868.93, 0.003923/step, 1.95561 hours remaining, 112.273438 MB of memory in use. ENERGY: 705400 665.6858 1867.8598 1965.9236 113.0394 2.4225 -1130.2026 0.0000 0.0000 2704.3484 6189.0769 298.7028 3484.7285 6222.9566 298.9205 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: 2869.71, 0.00392231/step Wall: 2869.71, 0.00392231/step, 1.95505 hours remaining, 112.273438 MB of memory in use. ENERGY: 705600 653.4039 1852.0979 1997.8387 114.6461 2.0721 -1120.0030 0.0000 0.0000 2729.2184 6229.2740 301.4498 3500.0557 6262.9866 301.9487 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: 2870.5, 0.00392325/step Wall: 2870.5, 0.00392325/step, 1.9553 hours remaining, 112.273438 MB of memory in use. ENERGY: 705800 630.6235 1893.3132 1965.6543 111.9585 1.0280 -1148.8760 0.0000 0.0000 2703.3418 6157.0433 298.5916 3453.7015 6192.3095 300.7874 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: 2871.28, 0.00392174/step Wall: 2871.28, 0.00392174/step, 1.95433 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 706000 648.3293 1901.3712 1946.0179 108.8574 1.3226 -1145.5037 0.0000 0.0000 2717.6455 6178.0402 300.1715 3460.3947 6209.2426 298.6261 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: 2872.06, 0.00391781/step Wall: 2872.06, 0.00391781/step, 1.95216 hours remaining, 112.273438 MB of memory in use. ENERGY: 706200 678.8015 1886.1141 1942.2499 122.0328 1.5576 -1116.1912 0.0000 0.0000 2712.3444 6226.9091 299.5860 3514.5647 6259.7941 298.6627 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: 2872.85, 0.0039229/step Wall: 2872.85, 0.0039229/step, 1.95447 hours remaining, 112.273438 MB of memory in use. ENERGY: 706400 681.6778 1814.0819 1938.2817 119.1014 3.5293 -1090.1480 0.0000 0.0000 2713.1426 6179.6666 299.6742 3466.5240 6211.7046 301.2516 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: 2873.63, 0.00392164/step Wall: 2873.63, 0.00392164/step, 1.95363 hours remaining, 112.273438 MB of memory in use. ENERGY: 706600 674.8516 1797.0103 1970.9032 106.6783 2.2586 -1110.0304 0.0000 0.0000 2710.2170 6151.8886 299.3510 3441.6716 6187.1425 298.1258 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: 2874.42, 0.0039254/step Wall: 2874.42, 0.0039254/step, 1.95528 hours remaining, 112.273438 MB of memory in use. ENERGY: 706800 638.8882 1820.4005 1958.2299 110.9515 2.4906 -1081.9087 0.0000 0.0000 2702.9939 6152.0459 298.5532 3449.0520 6185.9733 297.4696 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: 2875.2, 0.00391549/step Wall: 2875.2, 0.00391549/step, 1.95013 hours remaining, 112.273438 MB of memory in use. ENERGY: 707000 642.5892 1820.6967 1950.9359 98.3888 2.0407 -1093.5415 0.0000 0.0000 2737.9363 6159.0462 302.4127 3421.1099 6193.4333 297.7855 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: 2875.99, 0.00392383/step Wall: 2875.99, 0.00392383/step, 1.95407 hours remaining, 112.273438 MB of memory in use. ENERGY: 707200 654.0591 1882.3948 1930.4974 120.8975 1.7467 -1107.6101 0.0000 0.0000 2732.6112 6214.5965 301.8245 3481.9854 6246.5073 300.2655 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: 2876.77, 0.0039239/step Wall: 2876.77, 0.0039239/step, 1.95389 hours remaining, 112.273438 MB of memory in use. ENERGY: 707400 657.2075 1885.3530 1973.8530 113.5137 0.8459 -1118.7895 0.0000 0.0000 2730.5384 6242.5220 301.5956 3511.9836 6274.3284 301.9072 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: 2877.56, 0.00393803/step Wall: 2877.56, 0.00393803/step, 1.9607 hours remaining, 112.273438 MB of memory in use. ENERGY: 707600 648.0188 1899.7459 1970.1155 112.0828 1.3162 -1130.4676 0.0000 0.0000 2732.1710 6232.9827 301.7759 3500.8116 6267.9566 301.5003 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: 2878.34, 0.00392637/step Wall: 2878.34, 0.00392637/step, 1.95468 hours remaining, 112.273438 MB of memory in use. ENERGY: 707800 636.8839 1827.6512 1988.3275 117.5074 -0.2202 -1094.2316 0.0000 0.0000 2721.4450 6197.3631 300.5912 3475.9181 6231.0441 301.1444 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: 2879.13, 0.00391636/step Wall: 2879.13, 0.00391636/step, 1.94947 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 708000 649.8065 1818.1792 1963.1640 109.6482 0.6981 -1054.7199 0.0000 0.0000 2719.9678 6206.7439 300.4280 3486.7761 6238.6315 299.6478 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: 2879.91, 0.00392431/step Wall: 2879.91, 0.00392431/step, 1.95322 hours remaining, 112.273438 MB of memory in use. ENERGY: 708200 666.2223 1849.5478 1958.5924 118.3004 1.9148 -1118.2575 0.0000 0.0000 2708.2127 6184.5329 299.1296 3476.3201 6216.6177 300.9798 LDB: ============= START OF LOAD BALANCING ============== 2882.61 LDB: ============== END OF LOAD BALANCING =============== 2882.61 LDB: =============== DONE WITH MIGRATION ================ 2882.61 LDB: ============= START OF LOAD BALANCING ============== 2883.01 LDB: ============== END OF LOAD BALANCING =============== 2883.01 LDB: =============== DONE WITH MIGRATION ================ 2883.01 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: 2880.7, 0.00392941/step Wall: 2880.7, 0.00392941/step, 1.95554 hours remaining, 112.273438 MB of memory in use. ENERGY: 708400 663.1011 1851.3185 1950.2167 106.7983 1.0047 -1107.4830 0.0000 0.0000 2727.2959 6192.2521 301.2374 3464.9563 6227.1506 301.2785 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: 2881.48, 0.00392448/step Wall: 2881.48, 0.00392448/step, 1.95286 hours remaining, 112.273438 MB of memory in use. ENERGY: 708600 666.7482 1840.4579 1969.3837 129.2097 0.4112 -1126.3198 0.0000 0.0000 2700.3421 6180.2330 298.2603 3479.8909 6212.6876 299.7951 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: 2882.27, 0.00392274/step Wall: 2882.27, 0.00392274/step, 1.95178 hours remaining, 112.273438 MB of memory in use. ENERGY: 708800 640.8684 1880.0975 1989.9398 108.9575 2.0079 -1113.3763 0.0000 0.0000 2739.4634 6247.9581 302.5814 3508.4947 6280.9516 301.3567 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: 2883.05, 0.00391925/step Wall: 2883.05, 0.00391925/step, 1.94982 hours remaining, 112.273438 MB of memory in use. ENERGY: 709000 632.0617 1846.5836 1981.2688 109.2136 1.1638 -1100.7663 0.0000 0.0000 2768.0067 6237.5320 305.7341 3469.5252 6271.9601 303.9686 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: 2883.84, 0.00392472/step Wall: 2883.84, 0.00392472/step, 1.95233 hours remaining, 112.273438 MB of memory in use. ENERGY: 709200 696.7480 1820.9836 1975.1277 102.5227 2.5580 -1098.0764 0.0000 0.0000 2696.2762 6196.1399 297.8112 3499.8637 6229.1538 300.4757 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: 2884.62, 0.00392491/step Wall: 2884.62, 0.00392491/step, 1.95221 hours remaining, 112.273438 MB of memory in use. ENERGY: 709400 673.0535 1866.2352 1958.3280 117.6128 0.9201 -1095.2764 0.0000 0.0000 2725.0424 6245.9157 300.9885 3520.8733 6277.3103 300.3353 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: 2885.41, 0.00392384/step Wall: 2885.41, 0.00392384/step, 1.95146 hours remaining, 112.273438 MB of memory in use. ENERGY: 709600 665.4772 1806.9786 1952.3150 113.0759 2.1812 -1059.1459 0.0000 0.0000 2738.8368 6219.7189 302.5122 3480.8820 6254.7037 301.8392 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: 2886.19, 0.00393218/step Wall: 2886.19, 0.00393217/step, 1.95538 hours remaining, 112.273438 MB of memory in use. ENERGY: 709800 667.1423 1852.4824 1956.5439 114.3810 1.1764 -1056.2959 0.0000 0.0000 2729.4793 6264.9094 301.4786 3535.4301 6298.7529 300.5088 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: 2886.98, 0.0039302/step Wall: 2886.98, 0.00393021/step, 1.95419 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 710000 698.2074 1831.2276 1976.2269 106.8237 1.9679 -1090.7820 0.0000 0.0000 2707.3515 6231.0230 299.0345 3523.6715 6261.3194 303.3605 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 710000 WRITING COORDINATES TO DCD FILE MD.1.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: 2887.79, 0.00408334/step Wall: 2887.79, 0.00408334/step, 2.0301 hours remaining, 112.273438 MB of memory in use. ENERGY: 710200 620.9873 1871.8416 1946.9592 112.7421 1.8511 -1080.8615 0.0000 0.0000 2696.7798 6170.2995 297.8668 3473.5197 6203.2899 299.6361 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: 2888.58, 0.00392823/step Wall: 2888.58, 0.00392823/step, 1.95276 hours remaining, 112.273438 MB of memory in use. ENERGY: 710400 640.9947 1846.2549 1958.3890 89.8391 1.4472 -1063.1810 0.0000 0.0000 2720.0962 6193.8400 300.4422 3473.7437 6226.3125 299.1955 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: 2889.36, 0.00392285/step Wall: 2889.36, 0.00392285/step, 1.94987 hours remaining, 112.273438 MB of memory in use. ENERGY: 710600 664.9893 1800.9564 1944.5959 106.3476 2.1643 -1100.1370 0.0000 0.0000 2703.6269 6122.5434 298.6231 3418.9166 6156.5550 298.1706 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: 2890.15, 0.00391539/step Wall: 2890.15, 0.00391539/step, 1.94595 hours remaining, 112.273438 MB of memory in use. ENERGY: 710800 659.2983 1808.7412 1963.3248 106.5967 1.4254 -1081.2560 0.0000 0.0000 2633.8920 6092.0226 290.9207 3458.1306 6123.5594 293.6587 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: 2890.93, 0.00392353/step Wall: 2890.93, 0.00392353/step, 1.94978 hours remaining, 112.273438 MB of memory in use. ENERGY: 711000 617.7617 1898.0541 1956.7990 115.4245 1.5480 -1087.0362 0.0000 0.0000 2610.9902 6113.5412 288.3911 3502.5510 6144.6558 295.3745 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: 2891.72, 0.00392172/step Wall: 2891.72, 0.00392172/step, 1.94866 hours remaining, 112.273438 MB of memory in use. ENERGY: 711200 635.1535 1811.3323 1960.5920 113.9495 1.1899 -1064.7957 0.0000 0.0000 2657.8969 6115.3184 293.5721 3457.4215 6147.5699 293.0598 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: 2892.5, 0.00392308/step Wall: 2892.5, 0.00392308/step, 1.94912 hours remaining, 112.273438 MB of memory in use. ENERGY: 711400 646.0023 1841.0211 1961.4401 109.2810 1.7107 -1109.4881 0.0000 0.0000 2711.1238 6161.0909 299.4512 3449.9671 6191.6159 296.4642 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: 2893.29, 0.00391994/step Wall: 2893.29, 0.00391994/step, 1.94734 hours remaining, 112.273438 MB of memory in use. ENERGY: 711600 636.2257 1837.4571 1974.7865 111.8674 2.0840 -1099.8567 0.0000 0.0000 2667.3411 6129.9051 294.6153 3462.5640 6163.6742 298.1258 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: 2894.07, 0.00391787/step Wall: 2894.07, 0.00391787/step, 1.94609 hours remaining, 112.273438 MB of memory in use. ENERGY: 711800 638.1429 1857.7536 1964.3257 98.4544 1.4079 -1067.4672 0.0000 0.0000 2658.3825 6150.9997 293.6258 3492.6172 6182.3172 296.1605 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: 2894.85, 0.00392299/step Wall: 2894.85, 0.00392299/step, 1.94842 hours remaining, 112.273438 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 712000 641.0595 1782.2815 1951.9790 105.2565 1.3566 -1082.4644 0.0000 0.0000 2697.3327 6096.8013 297.9279 3399.4686 6130.0183 294.3895 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: 2895.64, 0.00392226/step Wall: 2895.64, 0.00392226/step, 1.94784 hours remaining, 112.273438 MB of memory in use. ENERGY: 712200 625.7860 1767.8722 1971.0155 108.5674 2.5661 -1062.1573 0.0000 0.0000 2696.9954 6110.6452 297.8907 3413.6499 6146.1152 295.8379 LDB: ============= START OF LOAD BALANCING ============== 2898.34 LDB: ============== END OF LOAD BALANCING =============== 2898.34 LDB: =============== DONE WITH MIGRATION ================ 2898.34 LDB: ============= START OF LOAD BALANCING ============== 2898.73 LDB: ============== END OF LOAD BALANCING =============== 2898.73 LDB: =============== DONE WITH MIGRATION ================ 2898.73 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: 2896.42, 0.00392902/step Wall: 2896.42, 0.00392902/step, 1.95098 hours remaining, 112.273438 MB of memory in use. ENERGY: 712400 651.9080 1780.2413 1939.9129 95.8452 2.7250 -1082.1716 0.0000 0.0000 2687.6441 6076.1049 296.8578 3388.4608 6108.3934 294.0702 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: 2897.21, 0.00391599/step Wall: 2897.21, 0.00391599/step, 1.94429 hours remaining, 112.273438 MB of memory in use. ENERGY: 712600 641.0696 1858.5980 1959.8301 105.7216 3.8972 -1145.6227 0.0000 0.0000 2704.4435 6127.9373 298.7133 3423.4939 6160.2514 297.3640 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: 2897.99, 0.00392281/step Wall: 2897.99, 0.00392281/step, 1.94746 hours remaining, 112.273438 MB of memory in use. ENERGY: 712800 684.6222 1830.3617 1986.6545 104.2544 3.1930 -1119.0549 0.0000 0.0000 2630.9284 6120.9594 290.5934 3490.0310 6151.9541 296.7975 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: 2898.78, 0.00392244/step Wall: 2898.78, 0.00392244/step, 1.94705 hours remaining, 112.273438 MB of memory in use. ENERGY: 713000 662.0601 1801.1687 1953.9672 99.6553 4.4436 -1070.6307 0.0000 0.0000 2734.4264 6185.0906 302.0250 3450.6642 6220.8802 295.8866 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: 2899.56, 0.00392404/step Wall: 2899.56, 0.00392404/step, 1.94763 hours remaining, 112.273438 MB of memory in use. ENERGY: 713200 662.2404 1827.1512 1939.3743 96.6963 3.7277 -1100.6309 0.0000 0.0000 2712.4294 6140.9883 299.5954 3428.5589 6172.7508 296.7189 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: 2900.35, 0.00392365/step Wall: 2900.35, 0.00392365/step, 1.94722 hours remaining, 112.273438 MB of memory in use. ENERGY: 713400 655.6892 1817.6903 1965.2981 121.0309 1.8720 -1095.1478 0.0000 0.0000 2705.2020 6171.6347 298.7971 3466.4327 6205.2365 297.7254 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: 2901.13, 0.00391531/step Wall: 2901.13, 0.00391531/step, 1.94286 hours remaining, 112.273438 MB of memory in use. ENERGY: 713600 650.4455 1867.4565 1953.1322 116.1006 1.2993 -1082.9021 0.0000 0.0000 2683.8215 6189.3536 296.4356 3505.5320 6218.1316 299.3402 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: 2901.91, 0.00392097/step Wall: 2901.91, 0.00392097/step, 1.94545 hours remaining, 112.273438 MB of memory in use. ENERGY: 713800 637.7724 1843.6498 1959.4543 108.9949 1.9663 -1068.4062 0.0000 0.0000 2689.0727 6172.5042 297.0156 3483.4315 6205.1459 298.4821 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: 2902.7, 0.00392083/step Wall: 2902.7, 0.00392083/step, 1.94517 hours remaining, 112.277344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 714000 632.9058 1841.2839 1931.4246 123.9009 1.5292 -1065.9585 0.0000 0.0000 2717.8440 6182.9300 300.1934 3465.0860 6216.5890 298.5153 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: 2903.48, 0.00392036/step Wall: 2903.48, 0.00392036/step, 1.94471 hours remaining, 112.277344 MB of memory in use. ENERGY: 714200 648.6473 1828.8540 1946.2523 111.8778 2.2858 -1070.8152 0.0000 0.0000 2721.6449 6188.7469 300.6133 3467.1020 6221.9774 299.7452 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: 2904.26, 0.00391279/step Wall: 2904.26, 0.0039128/step, 1.94075 hours remaining, 112.296875 MB of memory in use. ENERGY: 714400 653.2285 1900.1558 1953.5376 105.1582 1.6156 -1113.6120 0.0000 0.0000 2721.9010 6221.9847 300.6415 3500.0838 6254.3940 300.7341 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: 2905.05, 0.00392056/step Wall: 2905.05, 0.00392056/step, 1.94438 hours remaining, 112.296875 MB of memory in use. ENERGY: 714600 645.6499 1847.7275 1976.8217 106.5518 1.5017 -1122.1633 0.0000 0.0000 2747.2184 6203.3077 303.4379 3456.0893 6236.3999 301.4497 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: 2905.83, 0.00392102/step Wall: 2905.83, 0.00392102/step, 1.94439 hours remaining, 112.296875 MB of memory in use. ENERGY: 714800 648.0001 1830.1259 1957.8604 106.1954 0.9572 -1087.7167 0.0000 0.0000 2722.9328 6178.3551 300.7555 3455.4223 6213.2920 300.0845 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: 2906.62, 0.00392214/step Wall: 2906.62, 0.00392214/step, 1.94473 hours remaining, 112.296875 MB of memory in use. ENERGY: 715000 623.8256 1855.6060 1957.3024 113.7570 2.7358 -1122.2056 0.0000 0.0000 2738.5129 6169.5340 302.4764 3431.0211 6201.3100 298.6432 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: 2907.4, 0.00392158/step Wall: 2907.4, 0.00392158/step, 1.94423 hours remaining, 112.296875 MB of memory in use. ENERGY: 715200 673.1248 1801.1886 1945.2310 113.6280 2.4593 -1061.3260 0.0000 0.0000 2708.9560 6183.2617 299.2117 3474.3057 6215.8752 298.4802 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: 2908.18, 0.00391561/step Wall: 2908.18, 0.00391561/step, 1.94105 hours remaining, 112.296875 MB of memory in use. ENERGY: 715400 619.4495 1854.2217 1960.6373 106.7971 2.5600 -1097.5599 0.0000 0.0000 2685.1607 6131.2665 296.5835 3446.1057 6162.4215 297.0309 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: 2908.97, 0.00392367/step Wall: 2908.97, 0.00392367/step, 1.94483 hours remaining, 112.296875 MB of memory in use. ENERGY: 715600 651.5336 1856.6661 1953.2605 103.0214 1.5090 -1110.6102 0.0000 0.0000 2630.5104 6085.8906 290.5472 3455.3803 6119.0651 297.0585 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: 2909.75, 0.00392326/step Wall: 2909.75, 0.00392326/step, 1.94441 hours remaining, 112.296875 MB of memory in use. ENERGY: 715800 646.7512 1793.4756 1972.8203 109.0355 0.4915 -1093.0073 0.0000 0.0000 2636.7255 6066.2924 291.2337 3429.5669 6102.0092 293.6424 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: 2910.54, 0.00392303/step Wall: 2910.54, 0.00392303/step, 1.94408 hours remaining, 112.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 716000 636.2730 1771.6476 1950.1693 114.5311 1.8430 -1080.7653 0.0000 0.0000 2705.6675 6099.3662 298.8485 3393.6987 6132.3779 293.1387 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: 2911.32, 0.00392043/step Wall: 2911.32, 0.00392043/step, 1.94257 hours remaining, 112.296875 MB of memory in use. ENERGY: 716200 654.0292 1854.9602 1956.7412 111.1073 1.9314 -1113.7144 0.0000 0.0000 2633.9662 6099.0211 290.9289 3465.0549 6131.0469 294.1892 LDB: ============= START OF LOAD BALANCING ============== 2914.02 LDB: ============== END OF LOAD BALANCING =============== 2914.02 LDB: =============== DONE WITH MIGRATION ================ 2914.02 LDB: ============= START OF LOAD BALANCING ============== 2914.42 LDB: ============== END OF LOAD BALANCING =============== 2914.42 LDB: =============== DONE WITH MIGRATION ================ 2914.42 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: 2912.11, 0.00392051/step Wall: 2912.11, 0.00392051/step, 1.94239 hours remaining, 112.296875 MB of memory in use. ENERGY: 716400 606.1513 1854.1622 1938.4529 102.2966 1.7360 -1074.7068 0.0000 0.0000 2690.3770 6118.4692 297.1596 3428.0923 6149.9413 295.4804 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: 2912.89, 0.00392264/step Wall: 2912.89, 0.00392264/step, 1.94323 hours remaining, 112.296875 MB of memory in use. ENERGY: 716600 655.5658 1845.9983 1967.0498 112.4363 2.6490 -1105.2794 0.0000 0.0000 2684.0429 6162.4627 296.4600 3478.4197 6198.8724 298.0818 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: 2914.82, 0.00962753/step Wall: 2914.82, 0.00962753/step, 4.76884 hours remaining, 112.296875 MB of memory in use. ENERGY: 716800 644.9093 1804.0271 1949.7084 110.5285 1.0557 -1095.8701 0.0000 0.0000 2712.1111 6126.4700 299.5602 3414.3589 6159.8721 297.8255 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: 2915.61, 0.00395024/step Wall: 2915.61, 0.00395024/step, 1.95647 hours remaining, 112.296875 MB of memory in use. ENERGY: 717000 678.3688 1846.7529 1966.5372 102.6083 2.1827 -1138.5379 0.0000 0.0000 2718.4264 6176.3385 300.2578 3457.9121 6211.3292 299.5585 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: 2916.39, 0.00392249/step Wall: 2916.39, 0.00392249/step, 1.9425 hours remaining, 112.296875 MB of memory in use. ENERGY: 717200 662.7168 1866.7543 1921.5327 107.2431 2.3864 -1075.7845 0.0000 0.0000 2673.9632 6158.8121 295.3467 3484.8489 6191.0441 298.1811 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: 2917.17, 0.00392052/step Wall: 2917.17, 0.00392052/step, 1.94131 hours remaining, 112.296875 MB of memory in use. ENERGY: 717400 662.6040 1801.8095 1945.8038 103.0706 0.9938 -1091.6709 0.0000 0.0000 2727.8603 6150.4711 301.2998 3422.6108 6185.5364 296.4216 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: 2917.96, 0.00392238/step Wall: 2917.96, 0.00392237/step, 1.94201 hours remaining, 112.304688 MB of memory in use. ENERGY: 717600 682.0900 1888.2013 1965.2107 111.9186 1.9219 -1151.8084 0.0000 0.0000 2660.1614 6157.6956 293.8222 3497.5342 6188.4322 298.2732 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: 2918.74, 0.00392561/step Wall: 2918.74, 0.00392562/step, 1.9434 hours remaining, 112.304688 MB of memory in use. ENERGY: 717800 621.5652 1885.1460 1933.6915 101.8327 1.0564 -1100.8506 0.0000 0.0000 2726.9565 6169.3976 301.1999 3442.4411 6201.8890 299.0121 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: 2919.53, 0.0039231/step Wall: 2919.53, 0.0039231/step, 1.94193 hours remaining, 112.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 718000 640.0510 1891.2698 1953.4294 102.5868 1.4761 -1112.9971 0.0000 0.0000 2725.1517 6200.9677 301.0006 3475.8160 6234.7663 299.7889 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: 2920.31, 0.00392149/step Wall: 2920.31, 0.00392149/step, 1.94092 hours remaining, 112.304688 MB of memory in use. ENERGY: 718200 675.2558 1834.5930 2006.5552 114.9900 1.7712 -1133.2611 0.0000 0.0000 2716.3884 6216.2924 300.0327 3499.9040 6249.4015 300.1261 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: 2921.1, 0.00391572/step Wall: 2921.1, 0.00391572/step, 1.93784 hours remaining, 112.304688 MB of memory in use. ENERGY: 718400 669.5846 1835.3633 1974.2618 112.6592 1.5611 -1112.3129 0.0000 0.0000 2781.2332 6262.3503 307.1950 3481.1170 6295.0210 302.2355 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: 2921.88, 0.00392094/step Wall: 2921.88, 0.00392094/step, 1.94021 hours remaining, 112.304688 MB of memory in use. ENERGY: 718600 666.2350 1836.4685 1997.3317 109.1326 1.2430 -1101.4656 0.0000 0.0000 2726.5344 6235.4796 301.1533 3508.9452 6268.1982 302.8099 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: 2922.67, 0.00392373/step Wall: 2922.67, 0.00392373/step, 1.94137 hours remaining, 112.304688 MB of memory in use. ENERGY: 718800 669.4640 1808.2903 1954.6782 98.2781 2.3260 -1063.4355 0.0000 0.0000 2739.0925 6208.6936 302.5404 3469.6012 6239.9434 301.3235 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: 2923.45, 0.00392278/step Wall: 2923.45, 0.00392278/step, 1.94069 hours remaining, 112.304688 MB of memory in use. ENERGY: 719000 653.9091 1852.0282 1941.3158 91.8952 2.1059 -1083.6893 0.0000 0.0000 2736.8659 6194.4307 302.2945 3457.5648 6228.8032 300.1381 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: 2924.23, 0.00391542/step Wall: 2924.23, 0.00391542/step, 1.93683 hours remaining, 112.304688 MB of memory in use. ENERGY: 719200 651.7437 1861.5393 1947.2617 115.6710 1.1287 -1076.4628 0.0000 0.0000 2666.1247 6167.0063 294.4809 3500.8816 6196.9249 298.6674 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: 2925.02, 0.00392215/step Wall: 2925.02, 0.00392215/step, 1.93994 hours remaining, 112.304688 MB of memory in use. ENERGY: 719400 690.0076 1827.9538 1930.0575 100.2902 2.6592 -1098.9160 0.0000 0.0000 2722.8480 6174.9004 300.7462 3452.0523 6211.2240 299.2310 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: 2925.8, 0.00392522/step Wall: 2925.8, 0.00392523/step, 1.94124 hours remaining, 112.304688 MB of memory in use. ENERGY: 719600 648.2549 1837.9300 1953.7230 118.5861 4.0951 -1097.4212 0.0000 0.0000 2715.3658 6180.5338 299.9197 3465.1680 6215.3689 299.6222 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: 2926.59, 0.00392854/step Wall: 2926.59, 0.00392854/step, 1.94266 hours remaining, 112.304688 MB of memory in use. ENERGY: 719800 663.4410 1860.5695 1957.2705 102.4380 2.9987 -1096.0984 0.0000 0.0000 2719.4721 6210.0915 300.3733 3490.6193 6241.8673 299.9137 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: 2927.37, 0.0039265/step Wall: 2927.37, 0.0039265/step, 1.94143 hours remaining, 112.304688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 720000 647.7470 1886.7038 1945.5403 112.8173 2.2061 -1104.4909 0.0000 0.0000 2678.6572 6169.1808 295.8651 3490.5236 6200.0757 300.3573 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 720000 WRITING COORDINATES TO DCD FILE MD.1.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: 2928.19, 0.00410278/step Wall: 2928.19, 0.00410278/step, 2.02837 hours remaining, 112.488281 MB of memory in use. ENERGY: 720200 699.6631 1863.0317 1974.7411 116.6977 2.5402 -1129.7257 0.0000 0.0000 2717.6764 6244.6245 300.1749 3526.9480 6278.0827 300.6524 LDB: ============= START OF LOAD BALANCING ============== 2930.9 LDB: ============== END OF LOAD BALANCING =============== 2930.9 LDB: =============== DONE WITH MIGRATION ================ 2930.9 LDB: ============= START OF LOAD BALANCING ============== 2931.29 LDB: ============== END OF LOAD BALANCING =============== 2931.29 LDB: =============== DONE WITH MIGRATION ================ 2931.29 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: 2928.98, 0.00393261/step Wall: 2928.98, 0.00393261/step, 1.94402 hours remaining, 112.488281 MB of memory in use. ENERGY: 720400 657.1999 1873.5770 1977.6052 104.2319 3.0989 -1094.2059 0.0000 0.0000 2718.5735 6240.0806 300.2740 3521.5071 6273.7391 300.8907 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: 2929.77, 0.00392692/step Wall: 2929.77, 0.00392692/step, 1.94099 hours remaining, 112.488281 MB of memory in use. ENERGY: 720600 653.2741 1838.4472 1947.6204 105.9185 1.5919 -1091.5834 0.0000 0.0000 2725.4146 6180.6834 301.0296 3455.2688 6214.9887 301.5557 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: 2930.55, 0.00392931/step Wall: 2930.55, 0.00392931/step, 1.94195 hours remaining, 112.492188 MB of memory in use. ENERGY: 720800 660.4519 1866.4511 1942.4606 108.3158 1.3961 -1063.4434 0.0000 0.0000 2670.1198 6185.7520 294.9222 3515.6322 6215.5315 298.1078 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: 2931.34, 0.00392836/step Wall: 2931.34, 0.00392836/step, 1.94126 hours remaining, 112.500000 MB of memory in use. ENERGY: 721000 644.0335 1812.0585 1994.5959 108.0927 1.7854 -1068.8049 0.0000 0.0000 2643.0033 6134.7646 291.9271 3491.7613 6165.5351 298.4635 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: 2932.12, 0.00392256/step Wall: 2932.12, 0.00392256/step, 1.93818 hours remaining, 112.503906 MB of memory in use. ENERGY: 721200 640.5954 1810.2555 1978.2563 101.4424 1.7725 -1106.2329 0.0000 0.0000 2697.2933 6123.3824 297.9236 3426.0892 6155.2459 296.1124 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: 2932.91, 0.00393015/step Wall: 2932.91, 0.00393015/step, 1.94171 hours remaining, 112.507812 MB of memory in use. ENERGY: 721400 658.4701 1788.5587 1974.2578 100.8821 2.8885 -1087.0904 0.0000 0.0000 2696.6171 6134.5840 297.8489 3437.9669 6167.7728 297.5238 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: 2933.69, 0.00392913/step Wall: 2933.69, 0.00392913/step, 1.94099 hours remaining, 112.507812 MB of memory in use. ENERGY: 721600 642.3479 1898.2927 1961.0396 110.1478 1.5935 -1084.4106 0.0000 0.0000 2677.6899 6206.7008 295.7583 3529.0109 6237.8963 296.0751 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: 2934.48, 0.00393046/step Wall: 2934.48, 0.00393046/step, 1.94143 hours remaining, 112.507812 MB of memory in use. ENERGY: 721800 614.6166 1811.3446 1955.4417 112.6948 2.0837 -1067.0369 0.0000 0.0000 2728.6012 6157.7458 301.3816 3429.1446 6191.4174 299.0683 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: 2935.27, 0.00392952/step Wall: 2935.27, 0.00392952/step, 1.94075 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 722000 632.4312 1812.0060 1969.1400 123.3484 0.5500 -1115.4755 0.0000 0.0000 2723.9860 6145.9862 300.8718 3422.0002 6178.8485 295.8903 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: 2936.05, 0.00392451/step Wall: 2936.05, 0.00392451/step, 1.93805 hours remaining, 112.507812 MB of memory in use. ENERGY: 722200 671.6878 1801.4313 1957.1263 113.3455 3.2101 -1095.5112 0.0000 0.0000 2684.2236 6135.5133 296.4800 3451.2897 6166.6598 295.0580 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: 2936.84, 0.00393084/step Wall: 2936.84, 0.00393084/step, 1.94096 hours remaining, 112.507812 MB of memory in use. ENERGY: 722400 617.9773 1851.9527 1970.7891 113.2969 2.5970 -1080.9801 0.0000 0.0000 2643.4801 6119.1129 291.9797 3475.6328 6152.9022 295.9812 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: 2937.62, 0.00392951/step Wall: 2937.62, 0.00392951/step, 1.94008 hours remaining, 112.507812 MB of memory in use. ENERGY: 722600 634.9590 1828.6515 1945.4498 96.5824 1.8264 -1099.7314 0.0000 0.0000 2643.1674 6050.9051 291.9452 3407.7377 6083.2077 293.0624 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: 2938.41, 0.00393067/step Wall: 2938.41, 0.00393067/step, 1.94044 hours remaining, 112.507812 MB of memory in use. ENERGY: 722800 637.6086 1811.8000 1953.8864 117.2732 2.5523 -1090.8613 0.0000 0.0000 2694.5554 6126.8146 297.6211 3432.2592 6162.7039 293.4590 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: 2939.19, 0.00392225/step Wall: 2939.19, 0.00392225/step, 1.93607 hours remaining, 112.507812 MB of memory in use. ENERGY: 723000 685.8956 1813.6548 1919.5804 101.8079 0.9549 -1092.1406 0.0000 0.0000 2677.5937 6107.3468 295.7477 3429.7531 6141.1393 295.0114 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: 2939.98, 0.00392778/step Wall: 2939.98, 0.00392778/step, 1.93858 hours remaining, 112.507812 MB of memory in use. ENERGY: 723200 651.3763 1798.4040 1966.8319 107.2791 0.3466 -1087.8721 0.0000 0.0000 2689.4535 6125.8194 297.0576 3436.3659 6162.0679 295.8778 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: 2940.76, 0.00392902/step Wall: 2940.76, 0.00392902/step, 1.93897 hours remaining, 112.507812 MB of memory in use. ENERGY: 723400 615.0133 1835.7682 1940.2891 106.6173 2.2574 -1094.4104 0.0000 0.0000 2653.9790 6059.5139 293.1394 3405.5348 6092.9646 292.4162 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: 2941.55, 0.0039289/step Wall: 2941.55, 0.0039289/step, 1.9387 hours remaining, 112.507812 MB of memory in use. ENERGY: 723600 662.6628 1793.4820 1956.8329 107.9831 1.9444 -1075.2294 0.0000 0.0000 2643.3702 6091.0460 291.9676 3447.6758 6121.8691 293.3264 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: 2942.34, 0.00392835/step Wall: 2942.34, 0.00392835/step, 1.93821 hours remaining, 112.507812 MB of memory in use. ENERGY: 723800 651.5830 1839.8421 1953.7078 107.1656 0.6191 -1092.5730 0.0000 0.0000 2631.8774 6092.2219 290.6982 3460.3445 6123.5340 293.7553 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: 2943.12, 0.00392157/step Wall: 2943.12, 0.00392157/step, 1.93464 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 724000 655.1497 1782.7497 1955.5902 109.1346 0.3767 -1062.8662 0.0000 0.0000 2652.5220 6092.6566 292.9784 3440.1346 6121.7201 292.8164 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: 2943.91, 0.00392901/step Wall: 2943.91, 0.00392901/step, 1.9381 hours remaining, 112.507812 MB of memory in use. ENERGY: 724200 646.1313 1786.5490 1964.0849 109.3756 0.7736 -1050.3772 0.0000 0.0000 2663.9988 6120.5362 294.2461 3456.5373 6153.2739 294.1852 LDB: ============= START OF LOAD BALANCING ============== 2946.61 LDB: ============== END OF LOAD BALANCING =============== 2946.61 LDB: =============== DONE WITH MIGRATION ================ 2946.61 LDB: ============= START OF LOAD BALANCING ============== 2947 LDB: ============== END OF LOAD BALANCING =============== 2947 LDB: =============== DONE WITH MIGRATION ================ 2947 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: 2944.69, 0.00393341/step Wall: 2944.69, 0.00393341/step, 1.94004 hours remaining, 112.507812 MB of memory in use. ENERGY: 724400 637.6225 1829.5764 1971.4387 108.9820 0.2295 -1077.6959 0.0000 0.0000 2672.4774 6142.6308 295.1826 3470.1533 6175.4628 294.0171 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: 2945.48, 0.00392582/step Wall: 2945.48, 0.00392582/step, 1.93609 hours remaining, 112.507812 MB of memory in use. ENERGY: 724600 621.5410 1861.0879 1965.5293 102.3848 1.5979 -1104.5921 0.0000 0.0000 2721.0767 6168.6256 300.5505 3447.5489 6200.9970 296.5599 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: 2946.26, 0.00393026/step Wall: 2946.26, 0.00393026/step, 1.93806 hours remaining, 112.507812 MB of memory in use. ENERGY: 724800 647.7694 1843.1825 1965.0590 112.2086 0.8674 -1100.9338 0.0000 0.0000 2702.4690 6170.6220 298.4952 3468.1531 6203.9737 297.7847 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: 2947.05, 0.00392556/step Wall: 2947.05, 0.00392556/step, 1.93552 hours remaining, 112.507812 MB of memory in use. ENERGY: 725000 636.5039 1811.4112 1963.1901 119.7722 2.2170 -1068.6154 0.0000 0.0000 2684.9755 6149.4546 296.5630 3464.4791 6182.5569 296.9930 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: 2947.83, 0.00392349/step Wall: 2947.83, 0.00392349/step, 1.93428 hours remaining, 112.507812 MB of memory in use. ENERGY: 725200 636.9962 1811.3091 1961.1220 105.7279 1.4943 -1039.5244 0.0000 0.0000 2677.2615 6154.3866 295.7110 3477.1251 6188.1218 296.1876 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: 2948.62, 0.00392305/step Wall: 2948.62, 0.00392305/step, 1.93385 hours remaining, 112.507812 MB of memory in use. ENERGY: 725400 651.6058 1829.6729 1994.9459 96.5587 1.1261 -1140.9034 0.0000 0.0000 2692.0889 6125.0948 297.3487 3433.0059 6157.4998 294.5038 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: 2949.4, 0.00391995/step Wall: 2949.4, 0.00391995/step, 1.9321 hours remaining, 112.507812 MB of memory in use. ENERGY: 725600 647.1790 1791.2939 1968.0697 95.2467 2.0757 -1059.8313 0.0000 0.0000 2663.4458 6107.4795 294.1850 3444.0337 6140.1032 294.3018 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: 2950.19, 0.00391293/step Wall: 2950.19, 0.00391293/step, 1.92842 hours remaining, 112.507812 MB of memory in use. ENERGY: 725800 631.8011 1787.6641 1970.8500 102.5393 1.1191 -1076.4453 0.0000 0.0000 2681.8058 6099.3340 296.2129 3417.5282 6130.5376 293.7639 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: 2950.97, 0.0039256/step Wall: 2950.97, 0.0039256/step, 1.93445 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 726000 635.3293 1853.8957 1956.3153 102.5652 -0.1278 -1077.0180 0.0000 0.0000 2633.8350 6104.7948 290.9144 3470.9597 6132.1676 294.2688 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: 2951.76, 0.00392293/step Wall: 2951.76, 0.00392293/step, 1.93291 hours remaining, 112.507812 MB of memory in use. ENERGY: 726200 633.1557 1773.8210 1983.1239 115.7382 1.4275 -1088.1527 0.0000 0.0000 2664.6087 6083.7223 294.3135 3419.1136 6116.5087 293.6179 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: 2952.54, 0.00392315/step Wall: 2952.54, 0.00392314/step, 1.9328 hours remaining, 112.507812 MB of memory in use. ENERGY: 726400 625.4351 1853.6395 1989.7968 116.0579 2.2758 -1087.7661 0.0000 0.0000 2629.1319 6128.5709 290.3949 3499.4390 6161.3163 292.8741 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: 2953.32, 0.00392345/step Wall: 2953.32, 0.00392345/step, 1.93274 hours remaining, 112.507812 MB of memory in use. ENERGY: 726600 667.1512 1837.0693 1950.4267 109.8521 2.1183 -1086.9290 0.0000 0.0000 2669.0166 6148.7052 294.8003 3479.6886 6182.3881 295.9748 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: 2954.11, 0.00391858/step Wall: 2954.11, 0.00391858/step, 1.93012 hours remaining, 112.507812 MB of memory in use. ENERGY: 726800 637.9501 1895.7542 1961.7926 119.5542 1.2022 -1111.4434 0.0000 0.0000 2640.1727 6144.9826 291.6144 3504.8099 6177.1834 294.7376 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: 2954.89, 0.00392282/step Wall: 2954.89, 0.00392282/step, 1.93199 hours remaining, 112.507812 MB of memory in use. ENERGY: 727000 619.0908 1791.2101 1946.4166 105.8451 1.3799 -1073.9018 0.0000 0.0000 2734.9740 6125.0147 302.0855 3390.0406 6158.7218 295.1464 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: 2955.68, 0.00392332/step Wall: 2955.68, 0.00392332/step, 1.93202 hours remaining, 112.507812 MB of memory in use. ENERGY: 727200 663.6934 1815.9337 1957.2138 125.3030 2.1354 -1075.1098 0.0000 0.0000 2643.2538 6132.4232 291.9547 3489.1694 6162.2386 292.7717 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: 2956.47, 0.00394069/step Wall: 2956.47, 0.00394069/step, 1.94035 hours remaining, 112.507812 MB of memory in use. ENERGY: 727400 644.7211 1836.5048 1958.5625 98.3498 1.1119 -1081.1190 0.0000 0.0000 2664.8451 6122.9762 294.3396 3458.1311 6155.7399 293.9675 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: 2957.25, 0.00391994/step Wall: 2957.25, 0.00391994/step, 1.92992 hours remaining, 112.507812 MB of memory in use. ENERGY: 727600 659.1524 1811.3232 1973.7168 105.4080 1.5110 -1079.5883 0.0000 0.0000 2692.1311 6163.6543 297.3534 3471.5232 6197.2930 295.9353 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: 2958.03, 0.00392524/step Wall: 2958.03, 0.00392524/step, 1.93231 hours remaining, 112.507812 MB of memory in use. ENERGY: 727800 660.1693 1868.5638 1943.3974 102.5503 1.1835 -1086.2449 0.0000 0.0000 2690.2832 6179.9025 297.1493 3489.6193 6212.2451 297.6916 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: 2958.82, 0.00392668/step Wall: 2958.82, 0.00392668/step, 1.9328 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 728000 651.7128 1859.9925 1943.5839 106.7259 0.2992 -1076.1813 0.0000 0.0000 2691.1259 6177.2590 297.2424 3486.1331 6209.5059 298.4297 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: 2959.61, 0.00392627/step Wall: 2959.61, 0.00392627/step, 1.93238 hours remaining, 112.507812 MB of memory in use. ENERGY: 728200 648.7677 1851.7942 1986.7061 114.1269 0.9091 -1054.1260 0.0000 0.0000 2647.6169 6195.7949 292.4367 3548.1780 6225.5101 296.5053 LDB: ============= START OF LOAD BALANCING ============== 2962.31 LDB: ============== END OF LOAD BALANCING =============== 2962.31 LDB: =============== DONE WITH MIGRATION ================ 2962.31 LDB: ============= START OF LOAD BALANCING ============== 2962.7 LDB: ============== END OF LOAD BALANCING =============== 2962.7 LDB: =============== DONE WITH MIGRATION ================ 2962.7 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: 2960.39, 0.00393514/step Wall: 2960.39, 0.00393514/step, 1.93653 hours remaining, 112.507812 MB of memory in use. ENERGY: 728400 648.4538 1851.9685 1980.8841 107.7479 1.1911 -1099.1684 0.0000 0.0000 2738.3204 6229.3975 302.4551 3491.0770 6264.6418 300.7952 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: 2961.18, 0.00391878/step Wall: 2961.18, 0.00391878/step, 1.92826 hours remaining, 112.507812 MB of memory in use. ENERGY: 728600 674.4046 1833.0461 1964.7692 124.5224 -0.1002 -1083.9564 0.0000 0.0000 2775.9443 6288.6301 306.6108 3512.6858 6325.3215 302.7553 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: 2961.96, 0.00392565/step Wall: 2961.96, 0.00392565/step, 1.93142 hours remaining, 112.507812 MB of memory in use. ENERGY: 728800 682.7063 1849.5794 1974.9602 108.5897 0.6594 -1062.2038 0.0000 0.0000 2739.2011 6293.4923 302.5524 3554.2912 6326.3732 304.3787 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: 2962.75, 0.00392659/step Wall: 2962.75, 0.00392659/step, 1.93167 hours remaining, 112.507812 MB of memory in use. ENERGY: 729000 634.4593 1844.4218 1981.1557 105.3006 0.1189 -1087.2616 0.0000 0.0000 2756.6493 6234.8440 304.4796 3478.1947 6268.0683 303.3665 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: 2963.53, 0.00392719/step Wall: 2963.53, 0.00392719/step, 1.93174 hours remaining, 112.507812 MB of memory in use. ENERGY: 729200 670.5350 1872.6461 1964.4177 106.6641 0.0003 -1120.8067 0.0000 0.0000 2711.4094 6204.8659 299.4827 3493.4565 6236.0621 299.1527 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: 2964.32, 0.00392344/step Wall: 2964.32, 0.00392344/step, 1.92968 hours remaining, 112.507812 MB of memory in use. ENERGY: 729400 648.1696 1849.9134 1993.2286 105.3639 0.6595 -1087.5858 0.0000 0.0000 2706.5790 6216.3282 298.9492 3509.7492 6247.8689 299.8671 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: 2965.1, 0.00391914/step Wall: 2965.1, 0.00391914/step, 1.92735 hours remaining, 112.507812 MB of memory in use. ENERGY: 729600 654.3402 1851.5546 1978.4120 121.2680 2.1912 -1092.5334 0.0000 0.0000 2684.6979 6199.9305 296.5324 3515.2326 6230.9636 300.7197 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: 2965.88, 0.0039222/step Wall: 2965.88, 0.0039222/step, 1.92863 hours remaining, 112.507812 MB of memory in use. ENERGY: 729800 662.8597 1835.9284 1952.7453 111.9744 1.3240 -1082.6707 0.0000 0.0000 2656.0321 6138.1932 293.3661 3482.1611 6172.0778 298.8356 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: 2966.67, 0.00392925/step Wall: 2966.67, 0.00392925/step, 1.93188 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 730000 617.9938 1823.0822 1945.2352 125.4042 1.9141 -1072.0080 0.0000 0.0000 2725.5179 6167.1394 301.0410 3441.6215 6200.6724 297.9331 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 730000 WRITING COORDINATES TO DCD FILE MD.1.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: 2967.49, 0.00411717/step Wall: 2967.49, 0.00411717/step, 2.02405 hours remaining, 112.507812 MB of memory in use. ENERGY: 730200 609.6437 1885.1982 1952.3132 109.4059 1.1705 -1037.4989 0.0000 0.0000 2695.4141 6215.6468 297.7160 3520.2327 6247.6482 296.6379 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: 2968.28, 0.0039201/step Wall: 2968.28, 0.0039201/step, 1.92695 hours remaining, 112.507812 MB of memory in use. ENERGY: 730400 673.3099 1885.2924 1980.0259 102.2724 0.8730 -1099.5876 0.0000 0.0000 2703.4817 6245.6675 298.6071 3542.1859 6277.4815 301.9473 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: 2969.06, 0.00392717/step Wall: 2969.06, 0.00392716/step, 1.9302 hours remaining, 112.507812 MB of memory in use. ENERGY: 730600 636.9996 1820.0391 1962.6918 105.5622 1.6738 -1081.0913 0.0000 0.0000 2770.6851 6216.5604 306.0299 3445.8753 6250.5214 302.3773 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: 2969.85, 0.00392688/step Wall: 2969.85, 0.00392689/step, 1.92985 hours remaining, 112.507812 MB of memory in use. ENERGY: 730800 687.3474 1845.9128 1971.9024 104.9273 0.5131 -1072.9600 0.0000 0.0000 2730.2117 6267.8547 301.5595 3537.6430 6300.6951 302.4769 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: 2970.63, 0.00392599/step Wall: 2970.63, 0.00392599/step, 1.92919 hours remaining, 112.507812 MB of memory in use. ENERGY: 731000 625.2994 1850.8746 1973.0069 112.3064 2.2770 -1037.9909 0.0000 0.0000 2731.7094 6257.4827 301.7249 3525.7733 6290.7812 302.4512 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: 2971.42, 0.00392337/step Wall: 2971.42, 0.00392337/step, 1.92768 hours remaining, 112.507812 MB of memory in use. ENERGY: 731200 628.8359 1890.3493 1976.2904 106.2605 1.4897 -1091.6066 0.0000 0.0000 2729.5977 6241.2169 301.4917 3511.6192 6274.0699 302.2193 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: 2972.2, 0.00391752/step Wall: 2972.2, 0.00391752/step, 1.92459 hours remaining, 112.507812 MB of memory in use. ENERGY: 731400 648.3402 1880.1551 1958.1883 110.0416 3.5889 -1073.7957 0.0000 0.0000 2690.9553 6217.4737 297.2235 3526.5185 6248.3861 302.9176 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: 2972.99, 0.00392619/step Wall: 2972.99, 0.00392619/step, 1.92863 hours remaining, 112.507812 MB of memory in use. ENERGY: 731600 636.8015 1843.7289 1995.9309 101.6708 1.8347 -1091.2603 0.0000 0.0000 2732.7438 6221.4504 301.8392 3488.7066 6254.1231 300.9942 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: 2973.77, 0.0039237/step Wall: 2973.77, 0.0039237/step, 1.92719 hours remaining, 112.507812 MB of memory in use. ENERGY: 731800 639.4559 1763.1185 1993.7320 109.5233 1.8316 -1094.2680 0.0000 0.0000 2774.3110 6187.7044 306.4304 3413.3934 6225.4412 300.7413 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: 2974.56, 0.00392395/step Wall: 2974.56, 0.00392395/step, 1.9271 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 732000 644.7029 1861.3555 1972.8156 106.9950 1.6953 -1122.7109 0.0000 0.0000 2766.7791 6231.6325 305.5985 3464.8533 6265.8116 299.2970 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: 2975.34, 0.00392068/step Wall: 2975.34, 0.00392068/step, 1.92527 hours remaining, 112.507812 MB of memory in use. ENERGY: 732200 630.7471 1797.1534 1978.9951 109.0637 1.4857 -1078.7220 0.0000 0.0000 2746.3948 6185.1177 303.3470 3438.7229 6221.4696 300.9362 LDB: ============= START OF LOAD BALANCING ============== 2978.04 LDB: ============== END OF LOAD BALANCING =============== 2978.04 LDB: =============== DONE WITH MIGRATION ================ 2978.04 LDB: ============= START OF LOAD BALANCING ============== 2978.43 LDB: ============== END OF LOAD BALANCING =============== 2978.43 LDB: =============== DONE WITH MIGRATION ================ 2978.43 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: 2976.13, 0.0039201/step Wall: 2976.13, 0.0039201/step, 1.92477 hours remaining, 112.507812 MB of memory in use. ENERGY: 732400 633.5688 1850.7057 1965.5773 99.9040 1.6493 -1108.2669 0.0000 0.0000 2714.6460 6157.7841 299.8402 3443.1381 6189.2170 298.9918 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: 2976.91, 0.00392592/step Wall: 2976.91, 0.00392592/step, 1.92741 hours remaining, 112.507812 MB of memory in use. ENERGY: 732600 670.8997 1892.1011 1971.1273 111.5344 1.8411 -1122.0476 0.0000 0.0000 2640.3901 6165.8462 291.6384 3525.4561 6194.7215 297.5101 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: 2977.7, 0.00392657/step Wall: 2977.7, 0.00392657/step, 1.92751 hours remaining, 112.507812 MB of memory in use. ENERGY: 732800 644.1173 1811.0095 1945.3358 113.8838 0.3697 -1102.2866 0.0000 0.0000 2740.5888 6153.0181 302.7057 3412.4293 6184.7073 297.9103 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: 2978.48, 0.00392824/step Wall: 2978.48, 0.00392824/step, 1.92811 hours remaining, 112.507812 MB of memory in use. ENERGY: 733000 603.9302 1865.1754 1939.7536 106.1871 1.8356 -1025.0802 0.0000 0.0000 2676.9328 6168.7345 295.6747 3491.8017 6201.3639 296.6020 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: 2979.27, 0.00392004/step Wall: 2979.27, 0.00392004/step, 1.92387 hours remaining, 112.507812 MB of memory in use. ENERGY: 733200 647.9709 1870.4488 1931.3278 106.3527 2.7229 -1084.4445 0.0000 0.0000 2734.1804 6208.5590 301.9978 3474.3786 6243.4060 299.0515 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: 2980.05, 0.00392573/step Wall: 2980.05, 0.00392573/step, 1.92644 hours remaining, 112.507812 MB of memory in use. ENERGY: 733400 671.0234 1903.5690 1986.2866 111.6221 0.9606 -1101.4739 0.0000 0.0000 2698.5144 6270.5020 298.0584 3571.9877 6302.3315 300.4426 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: 2980.84, 0.00392733/step Wall: 2980.84, 0.00392733/step, 1.92701 hours remaining, 112.507812 MB of memory in use. ENERGY: 733600 671.1111 1850.8080 1967.6562 114.4451 2.3668 -1083.4461 0.0000 0.0000 2790.5380 6313.4791 308.2227 3522.9412 6347.2736 305.7264 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: 2981.62, 0.00392751/step Wall: 2981.62, 0.00392751/step, 1.92688 hours remaining, 112.507812 MB of memory in use. ENERGY: 733800 679.7856 1862.1391 1992.1044 113.4587 1.0601 -1087.7217 0.0000 0.0000 2802.5933 6363.4195 309.5542 3560.8263 6397.9886 307.8722 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: 2982.41, 0.00392695/step Wall: 2982.41, 0.00392695/step, 1.92639 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 734000 692.9825 1829.5604 2003.0554 108.2493 2.1545 -1091.8633 0.0000 0.0000 2764.2436 6308.3824 305.3184 3544.1388 6339.0229 306.8223 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: 2983.19, 0.00392148/step Wall: 2983.19, 0.00392148/step, 1.92349 hours remaining, 112.507812 MB of memory in use. ENERGY: 734200 655.1305 1847.9370 1950.8529 106.3480 1.3873 -1083.9957 0.0000 0.0000 2777.3102 6254.9702 306.7616 3477.6600 6290.3050 305.5135 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: 2983.98, 0.00392763/step Wall: 2983.98, 0.00392763/step, 1.92628 hours remaining, 112.507812 MB of memory in use. ENERGY: 734400 674.1845 1906.9716 1952.3803 96.1742 0.7997 -1116.3910 0.0000 0.0000 2720.5269 6234.6460 300.4898 3514.1192 6263.5816 302.8512 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: 2984.76, 0.00392839/step Wall: 2984.76, 0.00392838/step, 1.92644 hours remaining, 112.507812 MB of memory in use. ENERGY: 734600 688.3200 1843.7327 1956.4410 100.2307 2.1852 -1129.4526 0.0000 0.0000 2712.2083 6173.6653 299.5710 3461.4571 6207.0128 300.7205 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: 2985.55, 0.00392718/step Wall: 2985.55, 0.00392719/step, 1.92563 hours remaining, 112.507812 MB of memory in use. ENERGY: 734800 650.3009 1811.6470 1944.2282 111.8666 1.3073 -1078.0830 0.0000 0.0000 2708.6233 6149.8903 299.1750 3441.2670 6183.1916 298.3664 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: 2986.33, 0.00392135/step Wall: 2986.33, 0.00392135/step, 1.92255 hours remaining, 112.507812 MB of memory in use. ENERGY: 735000 672.7640 1812.8556 1969.1929 112.5532 1.6643 -1091.7028 0.0000 0.0000 2663.1711 6140.4983 294.1547 3477.3272 6172.2503 297.2785 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: 2987.12, 0.00392694/step Wall: 2987.12, 0.00392694/step, 1.92507 hours remaining, 112.507812 MB of memory in use. ENERGY: 735200 686.7737 1816.8175 1974.0445 101.1300 1.3837 -1125.3811 0.0000 0.0000 2706.9755 6161.7438 298.9930 3454.7684 6196.5868 298.4197 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: 2987.9, 0.00392663/step Wall: 2987.9, 0.00392663/step, 1.9247 hours remaining, 112.507812 MB of memory in use. ENERGY: 735400 651.2751 1844.2069 1971.4641 111.6627 0.8142 -1127.2107 0.0000 0.0000 2684.2940 6136.5063 296.4877 3452.2123 6170.0492 296.8876 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: 2988.69, 0.0039285/step Wall: 2988.69, 0.0039285/step, 1.9254 hours remaining, 112.507812 MB of memory in use. ENERGY: 735600 616.5273 1812.1226 1963.7541 104.8667 0.5237 -1104.6027 0.0000 0.0000 2753.6870 6146.8788 304.1524 3393.1918 6181.9752 296.8342 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: 2989.47, 0.00392723/step Wall: 2989.47, 0.00392723/step, 1.92456 hours remaining, 112.507812 MB of memory in use. ENERGY: 735800 636.3122 1833.9306 1957.6857 111.4692 0.8221 -1084.3257 0.0000 0.0000 2701.8202 6157.7142 298.4236 3455.8940 6192.2153 298.3630 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: 2990.26, 0.0039207/step Wall: 2990.26, 0.0039207/step, 1.92114 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 736000 655.7368 1837.0629 1972.2343 102.8726 1.9751 -1107.5401 0.0000 0.0000 2698.9850 6161.3267 298.1104 3462.3417 6195.6171 297.8216 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: 2991.04, 0.00392838/step Wall: 2991.04, 0.00392838/step, 1.92469 hours remaining, 112.507812 MB of memory in use. ENERGY: 736200 635.3222 1843.7198 1978.5339 112.9513 2.6286 -1131.5931 0.0000 0.0000 2718.9381 6160.5007 300.3143 3441.5626 6192.9126 297.2832 LDB: ============= START OF LOAD BALANCING ============== 2993.75 LDB: ============== END OF LOAD BALANCING =============== 2993.75 LDB: =============== DONE WITH MIGRATION ================ 2993.75 LDB: ============= START OF LOAD BALANCING ============== 2994.14 LDB: ============== END OF LOAD BALANCING =============== 2994.14 LDB: =============== DONE WITH MIGRATION ================ 2994.14 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: 2991.83, 0.00393191/step Wall: 2991.83, 0.00393191/step, 1.9262 hours remaining, 112.507812 MB of memory in use. ENERGY: 736400 651.4344 1818.7064 1972.0186 92.6046 1.8860 -1130.2569 0.0000 0.0000 2716.6055 6122.9987 300.0566 3406.3932 6157.4479 296.0005 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: 2992.62, 0.00392733/step Wall: 2992.62, 0.00392733/step, 1.92373 hours remaining, 112.507812 MB of memory in use. ENERGY: 736600 642.5418 1826.3307 1971.1721 95.8863 0.4397 -1125.5782 0.0000 0.0000 2696.0213 6106.8137 297.7831 3410.7924 6141.3355 295.8560 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: 2993.4, 0.00392865/step Wall: 2993.4, 0.00392865/step, 1.92417 hours remaining, 112.507812 MB of memory in use. ENERGY: 736800 674.3194 1863.3236 1945.6532 102.6122 0.9949 -1100.1867 0.0000 0.0000 2652.7090 6139.4256 292.9991 3486.7166 6171.3234 294.9534 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: 2994.19, 0.00392194/step Wall: 2994.19, 0.00392194/step, 1.92066 hours remaining, 112.507812 MB of memory in use. ENERGY: 737000 630.7771 1874.4505 1981.1456 108.3935 2.0666 -1131.2725 0.0000 0.0000 2643.8129 6109.3738 292.0165 3465.5609 6142.2925 296.6592 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: 2994.97, 0.00393124/step Wall: 2994.97, 0.00393124/step, 1.925 hours remaining, 112.507812 MB of memory in use. ENERGY: 737200 658.7780 1883.3489 1989.8433 109.5130 -0.1331 -1107.7461 0.0000 0.0000 2656.9822 6190.5863 293.4711 3533.6041 6222.5862 297.6146 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: 2995.76, 0.00392855/step Wall: 2995.76, 0.00392855/step, 1.92346 hours remaining, 112.507812 MB of memory in use. ENERGY: 737400 661.0211 1869.3138 1945.7686 115.5047 1.1313 -1146.0912 0.0000 0.0000 2786.3633 6233.0117 307.7616 3446.6484 6267.4596 302.4307 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: 2996.55, 0.00393752/step Wall: 2996.55, 0.00393752/step, 1.92764 hours remaining, 112.507812 MB of memory in use. ENERGY: 737600 670.0610 1876.3195 1940.2194 105.3204 1.9281 -1114.1886 0.0000 0.0000 2779.3688 6259.0284 306.9890 3479.6597 6292.1115 302.4024 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: 2997.33, 0.00392158/step Wall: 2997.33, 0.00392158/step, 1.91961 hours remaining, 112.507812 MB of memory in use. ENERGY: 737800 676.0545 1858.8534 1945.8834 118.5149 1.6768 -1098.4012 0.0000 0.0000 2714.8583 6217.4401 299.8637 3502.5818 6252.1277 303.2941 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: 2998.11, 0.00392665/step Wall: 2998.11, 0.00392665/step, 1.92188 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 738000 657.7212 1867.4149 1926.8207 106.9685 1.0356 -1133.1506 0.0000 0.0000 2762.6933 6189.5036 305.1472 3426.8104 6221.6665 300.0141 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: 2998.9, 0.00392782/step Wall: 2998.9, 0.00392782/step, 1.92223 hours remaining, 112.507812 MB of memory in use. ENERGY: 738200 655.7493 1856.2210 1933.2465 108.2697 0.9006 -1096.9958 0.0000 0.0000 2695.2435 6152.6350 297.6972 3457.3914 6185.1930 298.7438 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: 2999.69, 0.00392692/step Wall: 2999.69, 0.00392692/step, 1.92158 hours remaining, 112.507812 MB of memory in use. ENERGY: 738400 653.4233 1837.4167 1969.6504 107.5663 2.5520 -1097.7275 0.0000 0.0000 2731.4873 6204.3686 301.7004 3472.8812 6239.4930 298.8153 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: 3000.47, 0.00392305/step Wall: 3000.47, 0.00392305/step, 1.91946 hours remaining, 112.507812 MB of memory in use. ENERGY: 738600 660.1477 1823.3959 1934.3360 112.6242 0.9785 -1070.2255 0.0000 0.0000 2754.9464 6216.2032 304.2915 3461.2568 6248.3446 302.4051 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: 3001.26, 0.00396019/step Wall: 3001.26, 0.00396019/step, 1.93742 hours remaining, 112.507812 MB of memory in use. ENERGY: 738800 644.9456 1853.4325 1944.8867 108.9322 0.5907 -1072.9927 0.0000 0.0000 2781.4742 6261.2691 307.2216 3479.7949 6298.9471 303.2577 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: 3002.05, 0.00393835/step Wall: 3002.05, 0.00393835/step, 1.92651 hours remaining, 112.507812 MB of memory in use. ENERGY: 739000 646.3738 1859.4197 1973.3259 109.3478 1.7221 -1093.7866 0.0000 0.0000 2748.7269 6245.1296 303.6045 3496.4027 6276.5631 303.9510 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: 3002.84, 0.00393826/step Wall: 3002.84, 0.00393825/step, 1.92624 hours remaining, 112.507812 MB of memory in use. ENERGY: 739200 657.2999 1844.8397 1967.2204 109.4738 1.9195 -1077.6715 0.0000 0.0000 2680.8479 6183.9297 296.1071 3503.0818 6214.0617 301.1019 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: 3003.62, 0.00392965/step Wall: 3003.62, 0.00392965/step, 1.92182 hours remaining, 112.507812 MB of memory in use. ENERGY: 739400 617.6239 1835.7700 1975.9935 98.5473 1.4749 -1063.7294 0.0000 0.0000 2773.8589 6239.5390 306.3804 3465.6801 6273.4966 299.7048 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: 3004.41, 0.0039239/step Wall: 3004.41, 0.00392391/step, 1.91879 hours remaining, 112.507812 MB of memory in use. ENERGY: 739600 671.0704 1821.1110 1951.9009 94.3798 2.2083 -1056.1498 0.0000 0.0000 2690.9477 6175.4682 297.2227 3484.5205 6207.7653 299.7946 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: 3005.19, 0.00393031/step Wall: 3005.19, 0.00393031/step, 1.9217 hours remaining, 112.507812 MB of memory in use. ENERGY: 739800 661.4252 1854.7107 1947.0850 102.7014 2.0394 -1103.2012 0.0000 0.0000 2738.6261 6203.3865 302.4889 3464.7605 6234.3131 298.6467 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: 3005.98, 0.00394643/step Wall: 3005.98, 0.00394643/step, 1.92937 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 740000 645.0227 1814.1755 1986.2726 101.5244 2.3266 -1064.9502 0.0000 0.0000 2701.7149 6186.0864 298.4119 3484.3715 6218.6055 297.7985 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 740000 WRITING COORDINATES TO DCD FILE MD.1.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: 3006.81, 0.00411551/step Wall: 3006.81, 0.00411551/step, 2.0118 hours remaining, 112.507812 MB of memory in use. ENERGY: 740200 645.6254 1844.5396 1960.5887 111.8619 2.9438 -1085.0135 0.0000 0.0000 2743.4947 6224.0405 303.0266 3480.5458 6256.5598 300.4540 LDB: ============= START OF LOAD BALANCING ============== 3009.51 LDB: ============== END OF LOAD BALANCING =============== 3009.51 LDB: =============== DONE WITH MIGRATION ================ 3009.51 LDB: ============= START OF LOAD BALANCING ============== 3009.9 LDB: ============== END OF LOAD BALANCING =============== 3009.9 LDB: =============== DONE WITH MIGRATION ================ 3009.9 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: 3007.59, 0.003937/step Wall: 3007.59, 0.003937/step, 1.92432 hours remaining, 112.507812 MB of memory in use. ENERGY: 740400 670.8754 1827.7757 1982.2934 120.0345 3.3606 -1106.7729 0.0000 0.0000 2727.4204 6224.9870 301.2512 3497.5667 6257.5437 300.8758 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: 3008.38, 0.00392524/step Wall: 3008.38, 0.00392524/step, 1.91835 hours remaining, 112.507812 MB of memory in use. ENERGY: 740600 684.0428 1848.7400 1986.7240 115.5906 1.9888 -1115.2630 0.0000 0.0000 2741.7905 6263.6137 302.8384 3521.8232 6296.6747 303.7043 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: 3009.17, 0.00392983/step Wall: 3009.17, 0.00392983/step, 1.92038 hours remaining, 112.507812 MB of memory in use. ENERGY: 740800 678.3778 1874.8576 1974.6762 111.2568 0.9653 -1091.6035 0.0000 0.0000 2710.8084 6259.3387 299.4163 3548.5303 6291.6150 302.5718 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: 3009.95, 0.00392892/step Wall: 3009.95, 0.00392892/step, 1.91971 hours remaining, 112.507812 MB of memory in use. ENERGY: 741000 676.2189 1840.0543 1973.3379 120.4701 1.5301 -1118.1634 0.0000 0.0000 2765.3693 6258.8173 305.4427 3493.4480 6290.7010 304.1034 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: 3010.74, 0.00392941/step Wall: 3010.74, 0.00392941/step, 1.91973 hours remaining, 112.507812 MB of memory in use. ENERGY: 741200 656.3928 1900.3309 1954.8819 116.1872 2.6128 -1065.7536 0.0000 0.0000 2744.6363 6309.2882 303.1527 3564.6519 6343.8560 303.0795 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: 3011.52, 0.00392314/step Wall: 3011.52, 0.00392314/step, 1.91646 hours remaining, 112.507812 MB of memory in use. ENERGY: 741400 673.7923 1882.1579 1962.3772 111.3653 0.0620 -1040.2830 0.0000 0.0000 2704.9122 6294.3838 298.7651 3589.4716 6325.5388 304.9524 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: 3012.31, 0.00393086/step Wall: 3012.31, 0.00393086/step, 1.92001 hours remaining, 112.507812 MB of memory in use. ENERGY: 741600 611.7302 1886.9069 1987.7744 108.0608 2.0906 -1073.0080 0.0000 0.0000 2775.1742 6298.7292 306.5257 3523.5550 6331.9171 304.4555 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: 3013.09, 0.00392997/step Wall: 3013.09, 0.00392997/step, 1.91935 hours remaining, 112.507812 MB of memory in use. ENERGY: 741800 648.9589 1870.9090 1963.9347 113.6694 0.7446 -1075.2112 0.0000 0.0000 2750.9590 6273.9643 303.8511 3523.0053 6306.3492 303.1637 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: 3013.88, 0.0039291/step Wall: 3013.88, 0.0039291/step, 1.91871 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 742000 652.0293 1869.8009 1945.5648 108.8036 -0.6599 -1083.0820 0.0000 0.0000 2781.2331 6273.6898 307.1949 3492.4567 6308.2388 303.1377 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: 3014.67, 0.00392931/step Wall: 3014.67, 0.00392931/step, 1.91859 hours remaining, 112.507812 MB of memory in use. ENERGY: 742200 668.0640 1867.7396 1995.3913 101.0888 1.9440 -1065.0652 0.0000 0.0000 2742.6456 6311.8081 302.9328 3569.1625 6346.6466 305.1371 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: 3015.45, 0.00392367/step Wall: 3015.45, 0.00392367/step, 1.91562 hours remaining, 112.507812 MB of memory in use. ENERGY: 742400 667.9296 1874.7113 1988.3138 106.7650 -0.4259 -1120.3466 0.0000 0.0000 2777.2477 6294.1948 306.7547 3516.9471 6327.5655 306.0497 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: 3016.24, 0.00392928/step Wall: 3016.24, 0.00392928/step, 1.91815 hours remaining, 112.507812 MB of memory in use. ENERGY: 742600 643.3127 1835.8718 1965.0090 112.0785 1.4929 -1088.9402 0.0000 0.0000 2774.5027 6243.3273 306.4516 3468.8246 6277.1873 305.2228 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: 3017.02, 0.00393052/step Wall: 3017.02, 0.00393052/step, 1.91853 hours remaining, 112.507812 MB of memory in use. ENERGY: 742800 651.7789 1865.1046 1922.6835 112.5981 2.0239 -1081.7010 0.0000 0.0000 2747.1298 6219.6179 303.4281 3472.4881 6253.8104 302.9862 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: 3017.81, 0.00392918/step Wall: 3017.81, 0.00392918/step, 1.91766 hours remaining, 112.507812 MB of memory in use. ENERGY: 743000 661.9658 1864.4176 1939.6798 106.9168 1.8067 -1109.6751 0.0000 0.0000 2711.9062 6177.0178 299.5376 3465.1117 6208.2261 300.9677 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: 3018.59, 0.0039316/step Wall: 3018.59, 0.0039316/step, 1.91862 hours remaining, 112.507812 MB of memory in use. ENERGY: 743200 649.0088 1865.0461 1953.1117 104.9353 1.8216 -1103.9258 0.0000 0.0000 2770.4201 6240.4177 306.0006 3469.9976 6275.1214 301.3625 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: 3019.38, 0.00392361/step Wall: 3019.38, 0.00392361/step, 1.9145 hours remaining, 112.507812 MB of memory in use. ENERGY: 743400 646.4583 1904.1750 1968.3736 96.3598 1.4830 -1111.4629 0.0000 0.0000 2707.5565 6212.9433 299.0572 3505.3868 6247.0685 301.8412 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: 3020.16, 0.00392825/step Wall: 3020.16, 0.00392825/step, 1.91655 hours remaining, 112.507812 MB of memory in use. ENERGY: 743600 666.8115 1839.3886 1964.6723 107.9123 1.4652 -1106.9753 0.0000 0.0000 2777.4580 6250.7326 306.7780 3473.2746 6285.8879 302.6662 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: 3020.95, 0.00392889/step Wall: 3020.95, 0.00392889/step, 1.91664 hours remaining, 112.507812 MB of memory in use. ENERGY: 743800 618.0466 1915.8378 1961.4301 104.4289 1.8149 -1074.8398 0.0000 0.0000 2717.9715 6244.6899 300.2075 3526.7185 6279.4138 303.3209 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: 3021.74, 0.00392863/step Wall: 3021.74, 0.00392863/step, 1.9163 hours remaining, 112.507812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 744000 675.5133 1858.8017 1958.6586 110.7155 1.6530 -1084.1879 0.0000 0.0000 2751.8240 6272.9781 303.9466 3521.1542 6307.4614 303.1010 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: 3022.52, 0.00392322/step Wall: 3022.52, 0.00392322/step, 1.91344 hours remaining, 112.507812 MB of memory in use. ENERGY: 744200 653.4570 1924.0767 1992.4730 111.1757 1.5563 -1109.8883 0.0000 0.0000 2737.9965 6310.8470 302.4193 3572.8505 6342.4191 303.8868 LDB: ============= START OF LOAD BALANCING ============== 3025.22 LDB: ============== END OF LOAD BALANCING =============== 3025.22 LDB: =============== DONE WITH MIGRATION ================ 3025.22 LDB: ============= START OF LOAD BALANCING ============== 3025.62 LDB: ============== END OF LOAD BALANCING =============== 3025.62 LDB: =============== DONE WITH MIGRATION ================ 3025.62 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: 3023.31, 0.00393362/step Wall: 3023.31, 0.00393362/step, 1.91829 hours remaining, 112.507812 MB of memory in use. ENERGY: 744400 679.9399 1820.5687 1954.2193 104.7963 1.5247 -1101.4608 0.0000 0.0000 2830.9289 6290.5171 312.6840 3459.5882 6325.5137 305.5513 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: 3024.09, 0.00392895/step Wall: 3024.09, 0.00392895/step, 1.9158 hours remaining, 112.507812 MB of memory in use. ENERGY: 744600 665.1083 1872.1035 1977.6765 116.8582 1.6079 -1080.3448 0.0000 0.0000 2707.6613 6260.6708 299.0687 3553.0095 6290.9312 303.8028 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: 3024.88, 0.00392989/step Wall: 3024.88, 0.00392989/step, 1.91604 hours remaining, 112.507812 MB of memory in use. ENERGY: 744800 624.6724 1893.4273 1941.2898 113.6458 1.7049 -1064.2266 0.0000 0.0000 2685.9700 6196.4835 296.6729 3510.5136 6228.5401 300.4106 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: 3025.67, 0.00392925/step Wall: 3025.67, 0.00392925/step, 1.91551 hours remaining, 112.507812 MB of memory in use. ENERGY: 745000 660.6763 1872.5501 1964.5302 107.1440 1.9864 -1109.9477 0.0000 0.0000 2653.9742 6150.9135 293.1388 3496.9393 6182.4616 299.7858 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: 3026.45, 0.00392377/step Wall: 3026.45, 0.00392377/step, 1.91262 hours remaining, 112.507812 MB of memory in use. ENERGY: 745200 653.3960 1793.7503 1956.5051 107.1295 1.7212 -1112.7510 0.0000 0.0000 2709.2610 6109.0122 299.2454 3399.7512 6142.2645 297.3441 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: 3027.24, 0.00393021/step Wall: 3027.24, 0.00393021/step, 1.91554 hours remaining, 112.511719 MB of memory in use. ENERGY: 745400 674.5532 1794.1941 1950.7379 110.9080 3.0815 -1128.5366 0.0000 0.0000 2685.3295 6090.2677 296.6021 3404.9382 6122.3026 293.9358 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: 3028.02, 0.00393057/step Wall: 3028.02, 0.00393057/step, 1.9155 hours remaining, 112.511719 MB of memory in use. ENERGY: 745600 655.7477 1823.9969 1939.5499 113.4412 1.1994 -1092.4543 0.0000 0.0000 2693.2793 6134.7600 297.4802 3441.4807 6169.0160 294.8797 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: 3028.81, 0.00393118/step Wall: 3028.81, 0.00393118/step, 1.91557 hours remaining, 112.511719 MB of memory in use. ENERGY: 745800 641.8046 1820.8976 1931.7545 107.0996 0.1834 -1077.2761 0.0000 0.0000 2720.6506 6145.1142 300.5034 3424.4636 6182.3927 296.9601 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: 3029.59, 0.00393034/step Wall: 3029.59, 0.00393034/step, 1.91495 hours remaining, 112.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 746000 626.8222 1837.5398 1982.2726 109.3155 -0.2916 -1119.3621 0.0000 0.0000 2720.1973 6156.4937 300.4534 3436.2964 6190.0015 297.0117 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: 3030.38, 0.00392515/step Wall: 3030.38, 0.00392515/step, 1.9122 hours remaining, 112.515625 MB of memory in use. ENERGY: 746200 647.0486 1886.3473 1948.0995 115.8010 1.4243 -1070.9017 0.0000 0.0000 2651.3979 6179.2170 292.8543 3527.8191 6207.7230 298.3977 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: 3031.17, 0.00392971/step Wall: 3031.17, 0.00392971/step, 1.91421 hours remaining, 112.515625 MB of memory in use. ENERGY: 746400 631.8441 1844.4744 1981.2578 106.0118 0.4867 -1085.5144 0.0000 0.0000 2689.9470 6168.5074 297.1121 3478.5605 6202.5694 297.4690 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: 3031.95, 0.00392774/step Wall: 3031.95, 0.00392774/step, 1.91303 hours remaining, 112.515625 MB of memory in use. ENERGY: 746600 675.1664 1857.6016 1960.5244 91.5213 -0.1562 -1095.2620 0.0000 0.0000 2695.7450 6185.1405 297.7525 3489.3955 6215.0840 297.0929 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: 3032.74, 0.00392745/step Wall: 3032.74, 0.00392745/step, 1.91267 hours remaining, 112.515625 MB of memory in use. ENERGY: 746800 660.6126 1832.1061 1950.7597 125.0611 0.5179 -1096.0998 0.0000 0.0000 2743.3870 6216.3446 303.0147 3472.9576 6246.4352 300.8082 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: 3033.52, 0.00392274/step Wall: 3033.52, 0.00392274/step, 1.91016 hours remaining, 112.515625 MB of memory in use. ENERGY: 747000 671.6463 1784.8118 1946.2974 113.8639 1.5920 -1067.1557 0.0000 0.0000 2763.6249 6214.6808 305.2501 3451.0558 6248.5562 300.4493 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: 3034.31, 0.00392626/step Wall: 3034.31, 0.00392626/step, 1.91165 hours remaining, 112.515625 MB of memory in use. ENERGY: 747200 636.2465 1848.8712 1958.1111 107.3676 0.3258 -1088.6459 0.0000 0.0000 2708.6779 6170.9542 299.1810 3462.2763 6203.4548 302.1952 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: 3035.09, 0.0039274/step Wall: 3035.09, 0.0039274/step, 1.91199 hours remaining, 112.515625 MB of memory in use. ENERGY: 747400 625.1777 1865.4578 1952.7905 123.8694 0.2166 -1087.0976 0.0000 0.0000 2710.8569 6191.2712 299.4217 3480.4143 6224.5476 299.6005 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: 3035.88, 0.00392805/step Wall: 3035.88, 0.00392805/step, 1.91209 hours remaining, 112.515625 MB of memory in use. ENERGY: 747600 641.2869 1844.4349 1959.4640 113.9786 1.4487 -1084.9422 0.0000 0.0000 2676.4520 6152.1229 295.6216 3475.6709 6185.4328 299.4219 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: 3036.67, 0.00394363/step Wall: 3036.67, 0.00394363/step, 1.91945 hours remaining, 112.515625 MB of memory in use. ENERGY: 747800 650.8072 1881.1458 1953.3260 109.6894 1.2881 -1103.0645 0.0000 0.0000 2680.9188 6174.1107 296.1149 3493.1919 6204.0971 297.7493 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: 3037.45, 0.00392311/step Wall: 3037.45, 0.00392311/step, 1.90925 hours remaining, 112.515625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 748000 663.4989 1851.6733 1962.6423 118.6542 1.2174 -1102.6471 0.0000 0.0000 2706.6825 6201.7216 298.9606 3495.0391 6234.0910 299.6260 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: 3038.24, 0.00393203/step Wall: 3038.24, 0.00393203/step, 1.91337 hours remaining, 112.515625 MB of memory in use. ENERGY: 748200 647.3103 1808.1514 1944.2105 99.8127 0.7764 -1075.2500 0.0000 0.0000 2693.1285 6118.1398 297.4635 3425.0112 6151.0139 297.7067 LDB: ============= START OF LOAD BALANCING ============== 3040.94 LDB: ============== END OF LOAD BALANCING =============== 3040.94 LDB: =============== DONE WITH MIGRATION ================ 3040.94 LDB: ============= START OF LOAD BALANCING ============== 3041.33 LDB: ============== END OF LOAD BALANCING =============== 3041.33 LDB: =============== DONE WITH MIGRATION ================ 3041.33 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: 3039.02, 0.00393559/step Wall: 3039.02, 0.00393559/step, 1.91488 hours remaining, 112.515625 MB of memory in use. ENERGY: 748400 706.1765 1815.2541 1957.3914 129.1996 0.1664 -1094.6642 0.0000 0.0000 2645.0095 6158.5333 292.1487 3513.5238 6191.0789 296.7378 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: 3039.81, 0.00393022/step Wall: 3039.81, 0.00393023/step, 1.91205 hours remaining, 112.515625 MB of memory in use. ENERGY: 748600 677.0669 1840.7656 1952.8888 120.5025 1.3607 -1101.6513 0.0000 0.0000 2641.3752 6132.3085 291.7473 3490.9333 6164.5113 297.2569 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: 3040.59, 0.00392375/step Wall: 3040.59, 0.00392375/step, 1.90869 hours remaining, 112.515625 MB of memory in use. ENERGY: 748800 642.3711 1776.3008 1934.4973 105.5960 2.6426 -1078.9124 0.0000 0.0000 2724.3877 6106.8831 300.9162 3382.4954 6143.7180 295.6060 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: 3041.38, 0.0039291/step Wall: 3041.38, 0.0039291/step, 1.91107 hours remaining, 112.515625 MB of memory in use. ENERGY: 749000 637.2107 1833.0098 1953.6226 108.7561 1.2050 -1100.6584 0.0000 0.0000 2671.1107 6104.2566 295.0316 3433.1459 6137.7423 295.1421 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: 3042.17, 0.00392888/step Wall: 3042.17, 0.00392888/step, 1.91075 hours remaining, 112.515625 MB of memory in use. ENERGY: 749200 626.7481 1823.7129 1955.2926 100.6735 2.4703 -1047.8240 0.0000 0.0000 2640.5485 6101.6218 291.6559 3461.0733 6133.6575 295.2639 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: 3042.95, 0.00393063/step Wall: 3042.95, 0.00393063/step, 1.91138 hours remaining, 112.515625 MB of memory in use. ENERGY: 749400 613.8104 1863.1510 1947.2608 115.0677 3.7745 -1082.0444 0.0000 0.0000 2645.9834 6107.0033 292.2562 3461.0200 6139.9071 292.6100 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: 3043.74, 0.0039309/step Wall: 3043.74, 0.0039309/step, 1.91129 hours remaining, 112.515625 MB of memory in use. ENERGY: 749600 689.7210 1806.6682 1953.0363 113.2487 3.0397 -1115.1784 0.0000 0.0000 2687.3343 6137.8698 296.8236 3450.5354 6173.6908 295.8685 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: 3044.52, 0.00392396/step Wall: 3044.52, 0.00392396/step, 1.9077 hours remaining, 112.515625 MB of memory in use. ENERGY: 749800 645.0990 1899.1746 1950.9360 109.9494 2.4533 -1098.4073 0.0000 0.0000 2653.8667 6163.0717 293.1270 3509.2050 6192.2720 299.0368 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: 3045.32, 0.00398256/step Wall: 3045.32, 0.00398256/step, 1.93597 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 750000 645.2854 1844.7010 1969.9960 100.0007 1.8489 -1081.1258 0.0000 0.0000 2650.9476 6131.6539 292.8045 3480.7063 6163.1573 296.1216 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 750000 WRITING COORDINATES TO DCD FILE MD.1.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: 3046.14, 0.00411216/step Wall: 3046.14, 0.00411216/step, 1.99874 hours remaining, 112.687500 MB of memory in use. ENERGY: 750200 699.3741 1843.0687 1956.6323 108.0825 1.7079 -1082.9225 0.0000 0.0000 2672.6602 6198.6032 295.2028 3525.9430 6230.1401 296.4503 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: 3046.93, 0.00392548/step Wall: 3046.93, 0.00392548/step, 1.90779 hours remaining, 112.687500 MB of memory in use. ENERGY: 750400 676.4992 1842.1968 1972.7596 116.5043 1.8330 -1104.3416 0.0000 0.0000 2642.7658 6148.2170 291.9008 3505.4512 6180.4378 299.0511 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: 3047.71, 0.00392362/step Wall: 3047.71, 0.00392362/step, 1.90666 hours remaining, 112.687500 MB of memory in use. ENERGY: 750600 661.4117 1847.3026 1956.8499 107.9125 3.2675 -1120.8652 0.0000 0.0000 2676.3563 6132.2353 295.6110 3455.8790 6161.6201 295.8388 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: 3048.5, 0.00391811/step Wall: 3048.5, 0.00391811/step, 1.90376 hours remaining, 112.687500 MB of memory in use. ENERGY: 750800 680.0411 1821.2757 1971.0573 112.2080 1.7607 -1119.7392 0.0000 0.0000 2677.6363 6144.2399 295.7524 3466.6036 6173.7050 296.0826 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: 3049.28, 0.00392341/step Wall: 3049.28, 0.00392341/step, 1.90612 hours remaining, 112.687500 MB of memory in use. ENERGY: 751000 631.4008 1808.0497 1967.4829 101.4802 3.3566 -1119.8021 0.0000 0.0000 2719.6234 6111.5914 300.3900 3391.9680 6145.5648 294.5898 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: 3050.07, 0.00392515/step Wall: 3050.07, 0.00392515/step, 1.90675 hours remaining, 112.687500 MB of memory in use. ENERGY: 751200 670.5738 1825.4327 1966.0390 114.3666 3.1626 -1123.0532 0.0000 0.0000 2683.8353 6140.3568 296.4371 3456.5215 6172.0405 296.7559 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: 3050.85, 0.00392491/step Wall: 3050.85, 0.00392491/step, 1.90641 hours remaining, 112.687500 MB of memory in use. ENERGY: 751400 676.3239 1870.8959 1931.0967 104.4429 0.9260 -1121.5901 0.0000 0.0000 2645.4344 6107.5299 292.1956 3462.0954 6137.0193 296.9253 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: 3051.64, 0.00392521/step Wall: 3051.64, 0.00392521/step, 1.90634 hours remaining, 112.687500 MB of memory in use. ENERGY: 751600 622.4482 1796.8165 1985.2771 101.1041 2.4138 -1110.3133 0.0000 0.0000 2654.7430 6052.4894 293.2238 3397.7463 6085.1278 294.6130 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: 3052.42, 0.00391886/step Wall: 3052.42, 0.00391886/step, 1.90304 hours remaining, 112.687500 MB of memory in use. ENERGY: 751800 640.0093 1773.3547 1963.4339 108.1211 2.2287 -1095.5728 0.0000 0.0000 2676.9889 6068.5639 295.6809 3391.5750 6101.3056 291.5107 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: 3053.2, 0.00392459/step Wall: 3053.2, 0.00392459/step, 1.9056 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 752000 615.0005 1856.3598 1963.2119 116.6460 1.6101 -1068.8135 0.0000 0.0000 2620.3740 6104.3887 289.4276 3484.0147 6136.1296 294.4608 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: 3053.99, 0.00392527/step Wall: 3053.99, 0.00392527/step, 1.90572 hours remaining, 112.687500 MB of memory in use. ENERGY: 752200 656.6328 1813.0262 1959.9818 102.2114 1.9821 -1097.3633 0.0000 0.0000 2676.9335 6113.4046 295.6748 3436.4710 6147.7748 294.3288 LDB: ============= START OF LOAD BALANCING ============== 3056.69 LDB: ============== END OF LOAD BALANCING =============== 3056.69 LDB: =============== DONE WITH MIGRATION ================ 3056.69 LDB: ============= START OF LOAD BALANCING ============== 3057.08 LDB: ============== END OF LOAD BALANCING =============== 3057.08 LDB: =============== DONE WITH MIGRATION ================ 3057.08 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: 3054.78, 0.00393037/step Wall: 3054.78, 0.00393037/step, 1.90798 hours remaining, 112.687500 MB of memory in use. ENERGY: 752400 646.3918 1859.2770 1966.4290 105.2553 2.4058 -1063.4788 0.0000 0.0000 2633.4729 6149.7530 290.8744 3516.2801 6181.3098 295.2311 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: 3055.56, 0.00391914/step Wall: 3055.56, 0.00391914/step, 1.90231 hours remaining, 112.687500 MB of memory in use. ENERGY: 752600 622.7312 1839.3918 1951.7864 98.1036 1.9229 -1068.4278 0.0000 0.0000 2696.6457 6142.1538 297.8520 3445.5082 6173.8442 296.9194 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: 3056.34, 0.00392671/step Wall: 3056.34, 0.00392671/step, 1.90577 hours remaining, 112.687500 MB of memory in use. ENERGY: 752800 635.1151 1836.1624 1985.4002 102.9777 1.8413 -1124.2964 0.0000 0.0000 2694.4501 6131.6505 297.6095 3437.2004 6163.7812 296.4434 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: 3057.13, 0.00392725/step Wall: 3057.13, 0.00392725/step, 1.9058 hours remaining, 112.687500 MB of memory in use. ENERGY: 753000 660.1478 1813.8574 1945.1452 115.4718 1.7421 -1109.2943 0.0000 0.0000 2677.0436 6104.1136 295.6869 3427.0700 6137.5897 295.8048 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: 3057.92, 0.00392732/step Wall: 3057.92, 0.00392732/step, 1.90562 hours remaining, 112.687500 MB of memory in use. ENERGY: 753200 649.8334 1828.8483 1952.9500 110.4302 0.6095 -1079.2481 0.0000 0.0000 2661.6302 6125.0536 293.9845 3463.4233 6156.7696 295.2593 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: 3058.7, 0.00392724/step Wall: 3058.7, 0.00392724/step, 1.90537 hours remaining, 112.687500 MB of memory in use. ENERGY: 753400 625.2529 1849.6848 1942.1139 109.6263 1.5000 -1065.0107 0.0000 0.0000 2683.8192 6146.9863 296.4353 3463.1671 6181.4438 297.1554 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: 3059.49, 0.00392012/step Wall: 3059.49, 0.00392012/step, 1.90169 hours remaining, 112.687500 MB of memory in use. ENERGY: 753600 649.0520 1842.3029 1929.6935 95.4816 1.1424 -1074.6460 0.0000 0.0000 2712.3710 6155.3974 299.5889 3443.0264 6188.7855 297.6324 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: 3060.27, 0.00392555/step Wall: 3060.27, 0.00392555/step, 1.90411 hours remaining, 112.687500 MB of memory in use. ENERGY: 753800 664.7105 1834.7654 1933.5927 101.4193 1.9739 -1095.5486 0.0000 0.0000 2690.7597 6131.6729 297.2019 3440.9132 6163.1954 296.4135 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: 3061.06, 0.00392629/step Wall: 3061.06, 0.00392629/step, 1.90425 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 754000 664.9987 1839.2566 1943.3237 103.4702 0.8176 -1086.5040 0.0000 0.0000 2683.5698 6148.9327 296.4078 3465.3629 6179.6047 296.2755 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: 3061.84, 0.00392558/step Wall: 3061.84, 0.00392558/step, 1.90369 hours remaining, 112.687500 MB of memory in use. ENERGY: 754200 654.4072 1863.5998 1928.5842 92.1636 2.1515 -1079.5471 0.0000 0.0000 2641.8316 6103.1909 291.7977 3461.3593 6136.7405 296.6276 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: 3062.62, 0.0039187/step Wall: 3062.62, 0.0039187/step, 1.90014 hours remaining, 112.687500 MB of memory in use. ENERGY: 754400 635.3927 1772.9603 1945.2880 108.8929 1.7259 -1036.6731 0.0000 0.0000 2695.9543 6123.5409 297.7757 3427.5866 6162.2265 294.7590 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: 3063.41, 0.00392533/step Wall: 3063.41, 0.00392533/step, 1.90313 hours remaining, 112.687500 MB of memory in use. ENERGY: 754600 632.5661 1847.6828 1945.7727 116.6885 1.7676 -1100.8190 0.0000 0.0000 2690.2763 6133.9351 297.1485 3443.6588 6166.8835 294.2898 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: 3064.19, 0.00392374/step Wall: 3064.19, 0.00392374/step, 1.90214 hours remaining, 112.687500 MB of memory in use. ENERGY: 754800 641.6941 1845.4774 1935.0362 115.1091 3.0917 -1065.9801 0.0000 0.0000 2693.7087 6168.1372 297.5276 3474.4285 6201.9986 297.7408 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: 3064.98, 0.00392546/step Wall: 3064.98, 0.00392546/step, 1.90276 hours remaining, 112.687500 MB of memory in use. ENERGY: 755000 620.5967 1876.5742 1950.7573 109.0713 1.2271 -1127.7665 0.0000 0.0000 2733.7189 6164.1789 301.9469 3430.4600 6198.6337 298.1884 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: 3065.76, 0.00392478/step Wall: 3065.76, 0.00392478/step, 1.90221 hours remaining, 112.687500 MB of memory in use. ENERGY: 755200 612.2083 1849.0935 1978.2630 114.8028 1.1457 -1047.5881 0.0000 0.0000 2641.4144 6149.3395 291.7516 3507.9252 6178.5694 296.2427 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: 3066.55, 0.00393003/step Wall: 3066.55, 0.00393003/step, 1.90454 hours remaining, 112.687500 MB of memory in use. ENERGY: 755400 646.4737 1836.4431 1992.7992 106.0113 1.1439 -1114.9713 0.0000 0.0000 2660.6524 6128.5522 293.8765 3467.8998 6160.6516 294.5145 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: 3067.34, 0.00392745/step Wall: 3067.34, 0.00392745/step, 1.90307 hours remaining, 112.687500 MB of memory in use. ENERGY: 755600 610.2662 1828.1210 1980.8641 113.4298 1.2369 -1057.7540 0.0000 0.0000 2683.6172 6159.7813 296.4130 3476.1641 6190.3836 295.0912 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: 3068.12, 0.00392521/step Wall: 3068.12, 0.00392521/step, 1.90176 hours remaining, 112.687500 MB of memory in use. ENERGY: 755800 646.4911 1819.4643 1989.4418 111.8969 1.8892 -1067.4836 0.0000 0.0000 2641.5941 6143.2939 291.7714 3501.6997 6176.9757 293.4619 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: 3068.91, 0.00392388/step Wall: 3068.91, 0.00392388/step, 1.9009 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 756000 660.8316 1854.8280 1944.9929 114.7148 2.1289 -1121.9044 0.0000 0.0000 2703.7385 6159.3303 298.6354 3455.5918 6191.4386 295.4886 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: 3069.69, 0.00392344/step Wall: 3069.69, 0.00392344/step, 1.90047 hours remaining, 112.687500 MB of memory in use. ENERGY: 756200 628.7052 1871.0740 1964.0802 114.6909 3.6601 -1087.3071 0.0000 0.0000 2682.6983 6177.6017 296.3115 3494.9034 6208.3376 298.8039 LDB: ============= START OF LOAD BALANCING ============== 3072.39 LDB: ============== END OF LOAD BALANCING =============== 3072.39 LDB: =============== DONE WITH MIGRATION ================ 3072.39 LDB: ============= START OF LOAD BALANCING ============== 3072.78 LDB: ============== END OF LOAD BALANCING =============== 3072.78 LDB: =============== DONE WITH MIGRATION ================ 3072.78 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: 3070.47, 0.00392351/step Wall: 3070.47, 0.00392351/step, 1.90029 hours remaining, 112.687500 MB of memory in use. ENERGY: 756400 668.2565 1852.7049 1955.4849 115.8082 2.6864 -1099.9617 0.0000 0.0000 2712.5470 6207.5262 299.6084 3494.9792 6242.8522 298.2215 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: 3071.26, 0.0039243/step Wall: 3071.26, 0.0039243/step, 1.90045 hours remaining, 112.687500 MB of memory in use. ENERGY: 756600 648.6144 1834.0043 1952.5194 115.1355 1.1994 -1081.4150 0.0000 0.0000 2689.2225 6159.2805 297.0321 3470.0580 6192.3746 298.4290 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: 3072.04, 0.00392606/step Wall: 3072.04, 0.00392606/step, 1.90109 hours remaining, 112.687500 MB of memory in use. ENERGY: 756800 655.2890 1831.5189 1956.6783 103.2040 0.5075 -1103.1637 0.0000 0.0000 2685.4257 6129.4596 296.6127 3444.0339 6160.2567 295.2987 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: 3072.83, 0.00392635/step Wall: 3072.83, 0.00392635/step, 1.90101 hours remaining, 112.687500 MB of memory in use. ENERGY: 757000 651.9808 1813.3119 1964.7014 102.5054 1.9155 -1083.4232 0.0000 0.0000 2694.2739 6145.2658 297.5901 3450.9918 6178.4015 296.7121 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: 3073.61, 0.00391862/step Wall: 3073.61, 0.00391862/step, 1.89705 hours remaining, 112.687500 MB of memory in use. ENERGY: 757200 643.8777 1895.7975 1966.3445 107.2257 2.6376 -1085.4879 0.0000 0.0000 2675.0264 6205.4214 295.4641 3530.3951 6237.7591 299.1256 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: 3074.4, 0.00392567/step Wall: 3074.4, 0.00392567/step, 1.90024 hours remaining, 112.687500 MB of memory in use. ENERGY: 757400 648.0827 1843.7316 1978.7625 123.0429 2.9601 -1085.6873 0.0000 0.0000 2760.0895 6270.9820 304.8596 3510.8925 6306.9153 302.8265 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: 3075.18, 0.00392305/step Wall: 3075.18, 0.00392305/step, 1.89876 hours remaining, 112.687500 MB of memory in use. ENERGY: 757600 659.3595 1898.1052 1955.1860 116.6758 2.2120 -1088.5793 0.0000 0.0000 2737.8818 6280.8410 302.4067 3542.9592 6312.8493 303.2578 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: 3075.97, 0.00392471/step Wall: 3075.97, 0.00392471/step, 1.89934 hours remaining, 112.687500 MB of memory in use. ENERGY: 757800 637.4077 1891.3488 1936.0333 111.6885 2.3633 -1092.5392 0.0000 0.0000 2731.8580 6218.1605 301.7413 3486.3025 6254.0356 302.0541 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: 3076.76, 0.0039404/step Wall: 3076.76, 0.0039404/step, 1.90672 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 758000 694.2908 1876.0081 1968.1983 117.5140 2.5336 -1130.0010 0.0000 0.0000 2736.8244 6265.3683 302.2899 3528.5439 6295.9946 302.6371 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: 3077.54, 0.00391879/step Wall: 3077.54, 0.00391879/step, 1.89604 hours remaining, 112.687500 MB of memory in use. ENERGY: 758200 647.7894 1830.7413 1978.8658 102.0188 0.8120 -1067.9649 0.0000 0.0000 2733.2846 6225.5471 301.8989 3492.2625 6257.0753 303.6331 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: 3078.33, 0.00392647/step Wall: 3078.33, 0.00392647/step, 1.89954 hours remaining, 112.687500 MB of memory in use. ENERGY: 758400 629.2256 1875.0461 1974.9011 104.1494 0.8001 -1090.0071 0.0000 0.0000 2719.0536 6213.1688 300.3270 3494.1152 6247.9467 300.7819 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: 3079.11, 0.00392442/step Wall: 3079.11, 0.00392442/step, 1.89833 hours remaining, 112.687500 MB of memory in use. ENERGY: 758600 676.7165 1871.9977 1943.2066 114.2104 0.2206 -1095.8984 0.0000 0.0000 2687.8272 6198.2807 296.8780 3510.4535 6229.5491 301.1381 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: 3079.9, 0.00392483/step Wall: 3079.9, 0.00392483/step, 1.89831 hours remaining, 112.687500 MB of memory in use. ENERGY: 758800 620.2457 1902.6678 1946.8245 99.2011 1.0852 -1041.5961 0.0000 0.0000 2718.6648 6247.0930 300.2841 3528.4282 6278.5580 298.7193 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: 3080.68, 0.00392107/step Wall: 3080.68, 0.00392107/step, 1.89627 hours remaining, 112.687500 MB of memory in use. ENERGY: 759000 652.2929 1840.1123 1953.1646 106.2828 1.7789 -1094.6688 0.0000 0.0000 2777.4411 6236.4038 306.7761 3458.9626 6270.8234 301.8704 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: 3081.46, 0.00392156/step Wall: 3081.46, 0.00392156/step, 1.89629 hours remaining, 112.687500 MB of memory in use. ENERGY: 759200 646.9262 1864.9699 1959.3847 112.8647 0.7530 -1130.5739 0.0000 0.0000 2737.1847 6191.5092 302.3297 3454.3245 6224.7258 301.9447 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: 3082.25, 0.00392219/step Wall: 3082.25, 0.00392219/step, 1.89638 hours remaining, 112.687500 MB of memory in use. ENERGY: 759400 640.5045 1838.4489 1951.1631 104.4122 1.6844 -1147.7629 0.0000 0.0000 2739.0551 6127.5052 302.5363 3388.4502 6161.1478 297.7084 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: 3083.03, 0.00392283/step Wall: 3083.03, 0.00392283/step, 1.89647 hours remaining, 112.687500 MB of memory in use. ENERGY: 759600 663.6615 1796.7107 1937.3635 106.8227 1.2862 -1079.6896 0.0000 0.0000 2700.6664 6126.8215 298.2961 3426.1551 6158.8366 295.9556 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: 3083.82, 0.00392349/step Wall: 3083.82, 0.00392349/step, 1.89657 hours remaining, 112.687500 MB of memory in use. ENERGY: 759800 664.5881 1858.5687 1959.2999 110.5023 2.9979 -1110.7836 0.0000 0.0000 2662.4546 6147.6279 294.0755 3485.1733 6177.7327 295.5115 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: 3084.6, 0.00391696/step Wall: 3084.6, 0.00391696/step, 1.8932 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 760000 648.8941 1803.2679 1954.6649 105.5852 3.0807 -1072.6327 0.0000 0.0000 2676.8382 6119.6982 295.6642 3442.8600 6152.4165 295.8202 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 760000 WRITING COORDINATES TO DCD FILE MD.1.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: 3087.44, 0.0142/step Wall: 3087.44, 0.0142/step, 6.86257 hours remaining, 112.687500 MB of memory in use. ENERGY: 760200 616.0263 1817.2675 1960.2381 97.1680 3.1311 -1102.9835 0.0000 0.0000 2675.7706 6066.6181 295.5463 3390.8475 6099.0369 295.6509 LDB: ============= START OF LOAD BALANCING ============== 3090.14 LDB: ============== END OF LOAD BALANCING =============== 3090.14 LDB: =============== DONE WITH MIGRATION ================ 3090.14 LDB: ============= START OF LOAD BALANCING ============== 3090.54 LDB: ============== END OF LOAD BALANCING =============== 3090.54 LDB: =============== DONE WITH MIGRATION ================ 3090.54 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: 3088.23, 0.00392858/step Wall: 3088.23, 0.00392858/step, 1.89838 hours remaining, 112.687500 MB of memory in use. ENERGY: 760400 622.1005 1806.4059 1977.6841 116.9266 3.4974 -1075.8466 0.0000 0.0000 2628.0493 6078.8173 290.2754 3450.7679 6110.8399 293.8578 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: 3089.01, 0.0039282/step Wall: 3089.01, 0.0039282/step, 1.89798 hours remaining, 112.687500 MB of memory in use. ENERGY: 760600 636.6144 1827.5337 1972.6002 113.4440 2.9322 -1079.4292 0.0000 0.0000 2630.5157 6104.2111 290.5478 3473.6953 6135.6301 294.6101 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: 3089.8, 0.003924/step Wall: 3089.8, 0.003924/step, 1.89573 hours remaining, 112.687500 MB of memory in use. ENERGY: 760800 646.5452 1835.3348 1967.8821 102.9455 3.9097 -1098.1734 0.0000 0.0000 2692.5389 6150.9828 297.3984 3458.4439 6181.9820 297.4100 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: 3090.58, 0.00391802/step Wall: 3090.58, 0.00391802/step, 1.89262 hours remaining, 112.687500 MB of memory in use. ENERGY: 761000 662.0416 1781.3519 1983.5025 114.3712 2.1807 -1092.6105 0.0000 0.0000 2725.2265 6176.0638 301.0089 3450.8373 6207.3358 297.2986 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: 3091.37, 0.00392276/step Wall: 3091.37, 0.00392276/step, 1.89469 hours remaining, 112.687500 MB of memory in use. ENERGY: 761200 659.7213 1869.8771 1973.8666 123.1096 3.1519 -1122.9302 0.0000 0.0000 2699.4553 6206.2514 298.1624 3506.7962 6235.6439 299.1138 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: 3092.15, 0.00392359/step Wall: 3092.15, 0.00392359/step, 1.89488 hours remaining, 112.687500 MB of memory in use. ENERGY: 761400 670.7767 1866.9854 1950.9208 106.9356 3.6604 -1110.3716 0.0000 0.0000 2712.5031 6201.4104 299.6035 3488.9073 6234.1997 301.2395 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: 3092.94, 0.00392549/step Wall: 3092.94, 0.00392549/step, 1.89558 hours remaining, 112.687500 MB of memory in use. ENERGY: 761600 681.2858 1831.4275 1968.2433 105.5799 3.7444 -1097.5808 0.0000 0.0000 2711.2332 6203.9333 299.4633 3492.7001 6237.4016 301.4650 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: 3093.72, 0.00392412/step Wall: 3093.72, 0.00392411/step, 1.89469 hours remaining, 112.687500 MB of memory in use. ENERGY: 761800 655.8661 1881.1581 1944.5665 103.9369 2.3571 -1083.9014 0.0000 0.0000 2712.4489 6216.4324 299.5975 3503.9834 6249.1863 301.5020 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: 3094.5, 0.00391784/step Wall: 3094.5, 0.00391785/step, 1.89145 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 762000 657.7233 1864.9907 1942.2529 102.2431 1.1359 -1104.4030 0.0000 0.0000 2741.2059 6205.1488 302.7738 3463.9429 6237.0612 301.8987 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: 3095.29, 0.00392019/step Wall: 3095.29, 0.00392018/step, 1.89236 hours remaining, 112.687500 MB of memory in use. ENERGY: 762200 644.9427 1837.6335 1968.8348 103.3560 3.2601 -1100.2733 0.0000 0.0000 2719.5552 6177.3091 300.3824 3457.7539 6213.1505 298.6416 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: 3096.07, 0.00392091/step Wall: 3096.07, 0.00392092/step, 1.8925 hours remaining, 112.687500 MB of memory in use. ENERGY: 762400 634.9387 1871.6175 1967.2484 109.3246 1.9983 -1092.2792 0.0000 0.0000 2697.3288 6190.1771 297.9275 3492.8483 6223.3139 300.2357 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: 3096.86, 0.00392237/step Wall: 3096.86, 0.00392237/step, 1.89298 hours remaining, 112.687500 MB of memory in use. ENERGY: 762600 708.6493 1875.7855 1962.3905 105.2950 2.2185 -1091.8378 0.0000 0.0000 2702.5761 6265.0770 298.5071 3562.5009 6296.8070 302.2469 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: 3097.64, 0.00391679/step Wall: 3097.64, 0.00391679/step, 1.89007 hours remaining, 112.687500 MB of memory in use. ENERGY: 762800 633.4800 1829.9569 1965.9142 113.4721 2.0965 -1059.9591 0.0000 0.0000 2754.6859 6239.6465 304.2627 3484.9606 6277.0374 301.8386 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: 3098.42, 0.00392105/step Wall: 3098.42, 0.00392105/step, 1.8919 hours remaining, 112.687500 MB of memory in use. ENERGY: 763000 667.7655 1909.8545 1974.4616 110.0226 1.5569 -1092.0359 0.0000 0.0000 2742.4298 6314.0549 302.9090 3571.6252 6346.7414 303.6935 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: 3099.21, 0.00391975/step Wall: 3099.21, 0.00391975/step, 1.89106 hours remaining, 112.687500 MB of memory in use. ENERGY: 763200 701.6920 1826.0315 1952.3021 101.1346 2.7196 -1121.4795 0.0000 0.0000 2765.5337 6227.9340 305.4609 3462.4003 6262.9163 304.5748 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: 3099.99, 0.00392321/step Wall: 3099.99, 0.00392321/step, 1.89252 hours remaining, 112.687500 MB of memory in use. ENERGY: 763400 668.6624 1842.2194 1948.3542 109.4413 2.1828 -1078.4058 0.0000 0.0000 2756.0328 6248.4871 304.4115 3492.4543 6281.4634 301.3041 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: 3100.78, 0.00392219/step Wall: 3100.78, 0.00392219/step, 1.8918 hours remaining, 112.687500 MB of memory in use. ENERGY: 763600 651.0741 1898.4397 1994.6220 105.2050 2.4142 -1093.3294 0.0000 0.0000 2758.3209 6316.7466 304.6642 3558.4257 6353.0278 305.1315 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: 3101.56, 0.00391704/step Wall: 3101.56, 0.00391704/step, 1.8891 hours remaining, 112.687500 MB of memory in use. ENERGY: 763800 668.1636 1880.7085 1962.2009 104.5723 1.4152 -1119.4263 0.0000 0.0000 2801.4319 6299.0661 309.4260 3497.6342 6331.2114 307.4048 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: 3102.35, 0.00392283/step Wall: 3102.35, 0.00392282/step, 1.89167 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 764000 648.3319 1877.0780 1985.6833 111.2988 2.9853 -1092.3479 0.0000 0.0000 2749.6931 6282.7225 303.7113 3533.0294 6316.7868 306.2334 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: 3103.13, 0.00392171/step Wall: 3103.13, 0.00392171/step, 1.89092 hours remaining, 112.687500 MB of memory in use. ENERGY: 764200 658.4394 1839.4088 1969.3214 112.3835 2.2480 -1068.3513 0.0000 0.0000 2736.5182 6249.9679 302.2561 3513.4497 6282.3863 303.9176 LDB: ============= START OF LOAD BALANCING ============== 3105.83 LDB: ============== END OF LOAD BALANCING =============== 3105.83 LDB: =============== DONE WITH MIGRATION ================ 3105.83 LDB: ============= START OF LOAD BALANCING ============== 3106.22 LDB: ============== END OF LOAD BALANCING =============== 3106.22 LDB: =============== DONE WITH MIGRATION ================ 3106.22 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: 3103.91, 0.00392733/step Wall: 3103.91, 0.00392733/step, 1.89341 hours remaining, 112.687500 MB of memory in use. ENERGY: 764400 656.4769 1879.2560 1961.4257 114.6771 1.4568 -1117.5896 0.0000 0.0000 2736.0027 6231.7056 302.1991 3495.7029 6263.7544 301.3975 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: 3104.7, 0.00391693/step Wall: 3104.7, 0.00391693/step, 1.88818 hours remaining, 112.687500 MB of memory in use. ENERGY: 764600 668.2996 1817.2499 1970.5813 110.0348 2.0593 -1095.1622 0.0000 0.0000 2721.6605 6194.7230 300.6150 3473.0625 6226.6060 300.4669 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: 3105.48, 0.00392247/step Wall: 3105.48, 0.00392247/step, 1.89063 hours remaining, 112.687500 MB of memory in use. ENERGY: 764800 682.3888 1856.3376 1963.0926 105.4508 2.0758 -1074.3787 0.0000 0.0000 2629.1241 6164.0911 290.3941 3534.9670 6192.4179 299.2230 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: 3106.27, 0.00392079/step Wall: 3106.27, 0.00392079/step, 1.8896 hours remaining, 112.687500 MB of memory in use. ENERGY: 765000 671.4689 1803.1165 1955.6449 105.2595 1.2609 -1099.1321 0.0000 0.0000 2701.1139 6138.7325 298.3456 3437.6186 6169.9854 296.5195 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: 3107.05, 0.00392173/step Wall: 3107.05, 0.00392173/step, 1.88984 hours remaining, 112.687500 MB of memory in use. ENERGY: 765200 631.4954 1834.9812 1952.5461 107.5966 0.2053 -1126.2395 0.0000 0.0000 2738.5144 6139.0996 302.4765 3400.5851 6174.5868 298.2395 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: 3107.84, 0.00392185/step Wall: 3107.84, 0.00392185/step, 1.88968 hours remaining, 112.687500 MB of memory in use. ENERGY: 765400 633.4008 1821.5363 1986.3802 105.1385 1.1701 -1122.2426 0.0000 0.0000 2707.2843 6132.6675 299.0271 3425.3832 6167.9685 296.9050 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: 3108.62, 0.00391709/step Wall: 3108.62, 0.00391708/step, 1.88716 hours remaining, 112.687500 MB of memory in use. ENERGY: 765600 630.2616 1859.3260 1996.4398 115.5938 2.0103 -1088.8124 0.0000 0.0000 2665.7161 6180.5351 294.4358 3514.8191 6212.7579 299.2818 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: 3109.4, 0.00392294/step Wall: 3109.4, 0.00392294/step, 1.88977 hours remaining, 112.687500 MB of memory in use. ENERGY: 765800 673.9366 1820.8330 1965.7918 117.8665 3.1504 -1055.9179 0.0000 0.0000 2675.6869 6201.3473 295.5371 3525.6604 6231.5704 299.1941 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: 3110.19, 0.00392307/step Wall: 3110.19, 0.00392307/step, 1.88961 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 766000 636.7836 1839.2054 1928.6874 110.5715 2.4703 -1078.7961 0.0000 0.0000 2704.9568 6143.8787 298.7700 3438.9220 6176.7080 299.6766 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: 3110.97, 0.00392359/step Wall: 3110.97, 0.00392359/step, 1.88964 hours remaining, 112.687500 MB of memory in use. ENERGY: 766200 654.7852 1876.3345 1960.1214 110.1531 2.2381 -1104.8168 0.0000 0.0000 2716.9180 6215.7336 300.0912 3498.8155 6248.8993 300.2114 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: 3111.76, 0.00392184/step Wall: 3111.76, 0.00392184/step, 1.88859 hours remaining, 112.687500 MB of memory in use. ENERGY: 766400 694.4128 1812.6544 1928.0618 114.4911 1.4040 -1082.6811 0.0000 0.0000 2686.9493 6155.2922 296.7810 3468.3429 6184.3261 297.5489 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: 3112.54, 0.00391749/step Wall: 3112.54, 0.00391749/step, 1.88627 hours remaining, 112.687500 MB of memory in use. ENERGY: 766600 657.9594 1850.9320 1927.6727 105.3401 2.3828 -1090.1188 0.0000 0.0000 2660.4186 6114.5868 293.8506 3454.1682 6143.7102 297.5091 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: 3113.33, 0.0039236/step Wall: 3113.33, 0.0039236/step, 1.889 hours remaining, 112.687500 MB of memory in use. ENERGY: 766800 663.3813 1844.3020 1947.6933 107.5438 1.1204 -1099.8630 0.0000 0.0000 2661.3716 6125.5494 293.9559 3464.1778 6156.6133 294.1496 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: 3114.11, 0.00392377/step Wall: 3114.11, 0.00392377/step, 1.88886 hours remaining, 112.687500 MB of memory in use. ENERGY: 767000 637.6704 1889.5814 1953.9520 114.9338 0.9921 -1093.8782 0.0000 0.0000 2675.5486 6178.8001 295.5218 3503.2515 6212.7520 298.9122 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: 3114.9, 0.00392414/step Wall: 3114.9, 0.00392414/step, 1.88882 hours remaining, 112.687500 MB of memory in use. ENERGY: 767200 659.4552 1942.8143 1939.6799 111.9360 2.8159 -1108.2915 0.0000 0.0000 2679.9197 6228.3295 296.0046 3548.4098 6261.8787 299.7909 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: 3115.68, 0.00391939/step Wall: 3115.68, 0.00391939/step, 1.88631 hours remaining, 112.687500 MB of memory in use. ENERGY: 767400 647.3319 1884.2340 1924.0383 100.3952 3.2169 -1061.0060 0.0000 0.0000 2756.5369 6254.7472 304.4672 3498.2103 6290.7559 302.8601 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: 3116.46, 0.00392443/step Wall: 3116.46, 0.00392443/step, 1.88852 hours remaining, 112.687500 MB of memory in use. ENERGY: 767600 642.6375 1829.4251 1934.5221 107.8025 3.1054 -1036.2545 0.0000 0.0000 2755.3185 6236.5566 304.3326 3481.2381 6270.2421 302.4601 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: 3117.25, 0.00393004/step Wall: 3117.25, 0.00393004/step, 1.89101 hours remaining, 112.687500 MB of memory in use. ENERGY: 767800 631.0805 1802.8986 1932.0474 120.8287 2.7703 -1047.0554 0.0000 0.0000 2722.1308 6164.7008 300.6669 3442.5700 6198.4111 299.4330 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: 3118.03, 0.00392552/step Wall: 3118.03, 0.00392552/step, 1.88861 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 768000 657.6311 1813.7440 1941.5341 113.4422 2.1779 -1087.0663 0.0000 0.0000 2734.9431 6176.4061 302.0821 3441.4631 6208.1158 298.8810 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: 3118.82, 0.00393292/step Wall: 3118.82, 0.00393292/step, 1.89195 hours remaining, 112.687500 MB of memory in use. ENERGY: 768200 631.2793 1867.1398 1925.7335 105.1856 2.4545 -1082.1834 0.0000 0.0000 2706.5128 6156.1221 298.9419 3449.6093 6190.2524 297.3986 LDB: ============= START OF LOAD BALANCING ============== 3121.52 LDB: ============== END OF LOAD BALANCING =============== 3121.52 LDB: =============== DONE WITH MIGRATION ================ 3121.52 LDB: ============= START OF LOAD BALANCING ============== 3121.92 LDB: ============== END OF LOAD BALANCING =============== 3121.92 LDB: =============== DONE WITH MIGRATION ================ 3121.92 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: 3119.61, 0.00392376/step Wall: 3119.61, 0.00392376/step, 1.88733 hours remaining, 112.687500 MB of memory in use. ENERGY: 768400 627.2344 1801.2434 1953.4021 97.2809 2.5500 -1063.1262 0.0000 0.0000 2716.9289 6135.5135 300.0924 3418.5846 6170.2841 297.5597 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: 3120.39, 0.00392745/step Wall: 3120.39, 0.00392745/step, 1.88889 hours remaining, 112.687500 MB of memory in use. ENERGY: 768600 680.2723 1810.3196 1962.4467 112.0038 3.2416 -1107.8996 0.0000 0.0000 2678.7597 6139.1442 295.8765 3460.3845 6170.4157 296.4149 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: 3121.18, 0.00392431/step Wall: 3121.18, 0.00392431/step, 1.88716 hours remaining, 112.687500 MB of memory in use. ENERGY: 768800 641.2169 1832.0536 1971.9372 107.9742 1.7026 -1125.3169 0.0000 0.0000 2699.6166 6129.1842 298.1802 3429.5676 6161.0396 296.9220 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: 3121.96, 0.00392479/step Wall: 3121.96, 0.00392479/step, 1.88717 hours remaining, 112.687500 MB of memory in use. ENERGY: 769000 636.4074 1823.2038 1959.8548 101.7080 0.4265 -1097.9570 0.0000 0.0000 2704.6449 6128.2884 298.7356 3423.6435 6159.7519 295.6258 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: 3122.75, 0.00391957/step Wall: 3122.75, 0.00391957/step, 1.88444 hours remaining, 112.687500 MB of memory in use. ENERGY: 769200 617.4991 1805.9417 1977.2710 110.6128 1.2537 -1092.0820 0.0000 0.0000 2683.1291 6103.6253 296.3591 3420.4963 6137.2400 294.1630 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: 3123.53, 0.00392649/step Wall: 3123.53, 0.0039265/step, 1.88756 hours remaining, 112.687500 MB of memory in use. ENERGY: 769400 642.0507 1816.8109 1939.9212 103.2430 1.5832 -1059.9013 0.0000 0.0000 2649.8094 6093.5171 292.6788 3443.7076 6124.7720 292.4973 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: 3124.32, 0.0039261/step Wall: 3124.32, 0.0039261/step, 1.88714 hours remaining, 112.687500 MB of memory in use. ENERGY: 769600 640.6801 1798.9261 1935.9397 105.5124 1.8539 -1059.0763 0.0000 0.0000 2670.8104 6094.6462 294.9984 3423.8359 6125.8932 292.3192 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: 3125.1, 0.00392474/step Wall: 3125.1, 0.00392474/step, 1.88628 hours remaining, 112.687500 MB of memory in use. ENERGY: 769800 639.5271 1842.2059 1937.0817 100.9052 2.0227 -1104.3418 0.0000 0.0000 2685.8606 6103.2613 296.6608 3417.4007 6134.0701 295.3808 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: 3125.89, 0.00392619/step Wall: 3125.89, 0.00392619/step, 1.88675 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 770000 661.7551 1844.9700 1916.1018 105.4462 1.6429 -1073.1052 0.0000 0.0000 2639.2911 6096.1019 291.5171 3456.8108 6125.1744 293.6179 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 770000 WRITING COORDINATES TO DCD FILE MD.1.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: 3126.75, 0.00430569/step Wall: 3126.75, 0.00430569/step, 2.06888 hours remaining, 112.687500 MB of memory in use. ENERGY: 770200 653.5867 1849.5422 1918.6829 116.1834 2.7274 -1076.6019 0.0000 0.0000 2670.6706 6134.7913 294.9830 3464.1207 6165.8671 295.1124 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: 3127.53, 0.00392905/step Wall: 3127.53, 0.00392905/step, 1.88769 hours remaining, 112.687500 MB of memory in use. ENERGY: 770400 651.5051 1872.9468 1939.0659 105.6281 2.3862 -1069.2610 0.0000 0.0000 2666.9839 6169.2549 294.5758 3502.2711 6198.9876 298.1405 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: 3128.32, 0.00392483/step Wall: 3128.32, 0.00392483/step, 1.88544 hours remaining, 112.687500 MB of memory in use. ENERGY: 770600 616.4776 1779.2360 1932.3977 113.3532 3.0068 -1047.4846 0.0000 0.0000 2732.9813 6129.9679 301.8654 3396.9866 6164.0492 297.6285 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: 3129.1, 0.00392334/step Wall: 3129.1, 0.00392334/step, 1.88451 hours remaining, 112.687500 MB of memory in use. ENERGY: 770800 639.7478 1810.1541 1926.7955 105.9670 2.7930 -1083.6818 0.0000 0.0000 2676.1913 6077.9669 295.5928 3401.7757 6111.8604 294.7612 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: 3129.89, 0.00392435/step Wall: 3129.89, 0.00392435/step, 1.88478 hours remaining, 112.687500 MB of memory in use. ENERGY: 771000 652.8508 1827.5679 1950.9888 104.5651 1.7797 -1112.7217 0.0000 0.0000 2665.4830 6090.5135 294.4100 3425.0305 6124.7861 293.3414 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: 3130.67, 0.00391825/step Wall: 3130.67, 0.00391825/step, 1.88163 hours remaining, 112.687500 MB of memory in use. ENERGY: 771200 657.9589 1764.9561 1941.8950 106.6213 2.2066 -1064.5091 0.0000 0.0000 2701.1299 6110.2586 298.3473 3409.1287 6141.8505 293.7066 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: 3131.46, 0.00392344/step Wall: 3131.46, 0.00392344/step, 1.88391 hours remaining, 112.687500 MB of memory in use. ENERGY: 771400 677.5378 1775.1311 1979.4132 109.3122 2.1867 -1087.1470 0.0000 0.0000 2680.6502 6137.0842 296.0853 3456.4339 6169.3163 295.5713 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: 3132.24, 0.00392398/step Wall: 3132.24, 0.00392398/step, 1.88395 hours remaining, 112.687500 MB of memory in use. ENERGY: 771600 644.9547 1846.7639 1938.5979 105.0538 2.4082 -1090.6584 0.0000 0.0000 2695.2205 6142.3406 297.6946 3447.1201 6172.5775 296.2484 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: 3133.03, 0.00392481/step Wall: 3133.03, 0.00392481/step, 1.88413 hours remaining, 112.687500 MB of memory in use. ENERGY: 771800 615.3367 1831.9341 1958.0579 96.2763 2.7628 -1095.1701 0.0000 0.0000 2721.2257 6130.4233 300.5670 3409.1976 6164.6540 297.0646 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: 3133.81, 0.00392413/step Wall: 3133.81, 0.00392413/step, 1.88358 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 772000 632.4947 1789.6014 1943.5552 114.3323 2.6679 -1100.7673 0.0000 0.0000 2815.7559 6197.6402 311.0081 3381.8843 6231.9581 298.5024 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: 3134.59, 0.00391904/step Wall: 3134.59, 0.00391904/step, 1.88092 hours remaining, 112.687500 MB of memory in use. ENERGY: 772200 666.7826 1820.5631 1954.7442 103.6709 2.8060 -1073.4560 0.0000 0.0000 2734.0875 6209.1984 301.9876 3475.1109 6245.1142 300.8310 LDB: ============= START OF LOAD BALANCING ============== 3137.3 LDB: ============== END OF LOAD BALANCING =============== 3137.3 LDB: =============== DONE WITH MIGRATION ================ 3137.3 LDB: ============= START OF LOAD BALANCING ============== 3137.69 LDB: ============== END OF LOAD BALANCING =============== 3137.69 LDB: =============== DONE WITH MIGRATION ================ 3137.69 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: 3135.38, 0.00392883/step Wall: 3135.38, 0.00392883/step, 1.8854 hours remaining, 112.687500 MB of memory in use. ENERGY: 772400 671.9565 1826.8990 1963.5701 109.6107 4.6125 -1069.2727 0.0000 0.0000 2710.9294 6218.3055 299.4297 3507.3761 6251.3561 299.7351 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: 3136.16, 0.00392404/step Wall: 3136.16, 0.00392404/step, 1.88289 hours remaining, 112.687500 MB of memory in use. ENERGY: 772600 653.8719 1813.9599 1972.8449 112.7989 1.8845 -1099.1760 0.0000 0.0000 2734.4765 6190.6605 302.0305 3456.1840 6226.8946 299.5281 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: 3136.95, 0.00392509/step Wall: 3136.95, 0.00392509/step, 1.88317 hours remaining, 112.687500 MB of memory in use. ENERGY: 772800 640.5170 1851.2100 1970.9027 95.5170 2.8867 -1088.0336 0.0000 0.0000 2700.9376 6173.9374 298.3261 3472.9998 6205.5950 298.5934 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: 3137.73, 0.00391709/step Wall: 3137.73, 0.00391709/step, 1.87911 hours remaining, 112.687500 MB of memory in use. ENERGY: 773000 671.1584 1823.6848 1928.5759 104.5697 4.1697 -1098.1442 0.0000 0.0000 2684.1987 6118.2130 296.4772 3434.0143 6151.3776 296.9813 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: 3138.52, 0.00392357/step Wall: 3138.52, 0.00392357/step, 1.88201 hours remaining, 112.687500 MB of memory in use. ENERGY: 773200 637.4155 1816.6806 1989.8072 93.9940 1.5227 -1083.4710 0.0000 0.0000 2628.1413 6084.0903 290.2855 3455.9491 6114.4329 295.3218 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: 3139.3, 0.00392431/step Wall: 3139.3, 0.00392431/step, 1.88214 hours remaining, 112.687500 MB of memory in use. ENERGY: 773400 607.6473 1828.1098 1950.7892 107.7442 1.9517 -1107.0236 0.0000 0.0000 2672.1311 6061.3498 295.1443 3389.2187 6094.9646 293.1974 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: 3140.09, 0.00392355/step Wall: 3140.09, 0.00392355/step, 1.88156 hours remaining, 112.687500 MB of memory in use. ENERGY: 773600 641.2982 1806.7005 1941.1632 94.2955 1.6853 -1091.8032 0.0000 0.0000 2700.4079 6093.7475 298.2676 3393.3396 6126.7252 292.7363 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: 3140.87, 0.00392431/step Wall: 3140.87, 0.00392431/step, 1.88171 hours remaining, 112.687500 MB of memory in use. ENERGY: 773800 657.7243 1820.0509 1940.0447 120.8848 2.3047 -1055.2181 0.0000 0.0000 2685.5238 6171.3151 296.6236 3485.7913 6200.9181 295.7521 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: 3141.66, 0.00391616/step Wall: 3141.66, 0.00391616/step, 1.87758 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 774000 612.9636 1803.5257 1950.6275 95.8815 2.5454 -1026.5371 0.0000 0.0000 2725.3429 6164.3494 301.0217 3439.0065 6199.3759 298.2541 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: 3142.44, 0.00392272/step Wall: 3142.44, 0.00392272/step, 1.88051 hours remaining, 112.687500 MB of memory in use. ENERGY: 774200 651.3732 1849.2539 1961.2124 110.7635 2.3647 -1100.9585 0.0000 0.0000 2697.7673 6171.7765 297.9759 3474.0092 6202.3212 299.0579 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: 3143.22, 0.00392287/step Wall: 3143.22, 0.00392287/step, 1.88036 hours remaining, 112.687500 MB of memory in use. ENERGY: 774400 650.1368 1863.5360 1952.0814 101.1196 2.8640 -1085.3013 0.0000 0.0000 2717.6597 6202.0963 300.1731 3484.4366 6236.4118 299.6856 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: 3144.01, 0.00392369/step Wall: 3144.01, 0.00392369/step, 1.88054 hours remaining, 112.687500 MB of memory in use. ENERGY: 774600 633.7328 1835.7372 1957.4550 104.5255 1.4386 -1060.4754 0.0000 0.0000 2763.2003 6235.6139 305.2032 3472.4136 6268.5181 300.7662 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: 3144.79, 0.0039182/step Wall: 3144.79, 0.0039182/step, 1.87769 hours remaining, 112.687500 MB of memory in use. ENERGY: 774800 639.8390 1843.1299 1946.4322 121.2792 3.5841 -1069.9415 0.0000 0.0000 2737.8965 6222.2195 302.4083 3484.3230 6254.9743 301.7123 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: 3145.58, 0.00392565/step Wall: 3145.58, 0.00392565/step, 1.88104 hours remaining, 112.687500 MB of memory in use. ENERGY: 775000 670.9939 1830.4924 1955.4253 94.0946 1.9095 -1080.2700 0.0000 0.0000 2721.8252 6194.4710 300.6332 3472.6458 6226.8086 299.4900 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: 3146.36, 0.0039254/step Wall: 3146.36, 0.0039254/step, 1.8807 hours remaining, 112.687500 MB of memory in use. ENERGY: 775200 650.6199 1824.3895 1971.8367 98.7522 0.4600 -1109.3838 0.0000 0.0000 2731.3280 6168.0025 301.6828 3436.6745 6201.1869 299.8315 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: 3147.15, 0.00392479/step Wall: 3147.15, 0.00392479/step, 1.88019 hours remaining, 112.687500 MB of memory in use. ENERGY: 775400 659.6398 1870.6685 1984.4189 102.3588 2.6880 -1116.8003 0.0000 0.0000 2630.3091 6133.2829 290.5250 3502.9737 6165.4319 296.3474 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: 3147.93, 0.00392497/step Wall: 3147.93, 0.00392497/step, 1.88006 hours remaining, 112.687500 MB of memory in use. ENERGY: 775600 623.2339 1817.0228 1968.1007 95.1550 1.9227 -1115.1093 0.0000 0.0000 2739.6133 6129.9392 302.5979 3390.3259 6161.4501 296.5213 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: 3148.72, 0.00391975/step Wall: 3148.72, 0.00391975/step, 1.87734 hours remaining, 112.687500 MB of memory in use. ENERGY: 775800 636.3949 1829.2256 1944.3989 99.2832 2.3826 -1117.8863 0.0000 0.0000 2706.7905 6100.5895 298.9726 3393.7989 6135.2597 295.9472 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: 3149.5, 0.00392553/step Wall: 3149.5, 0.00392553/step, 1.87989 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 776000 621.5462 1794.5097 1978.3933 112.3573 0.6204 -1099.2881 0.0000 0.0000 2719.6280 6127.7668 300.3905 3408.1387 6163.5031 296.8839 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: 3150.29, 0.00392367/step Wall: 3150.29, 0.00392367/step, 1.87878 hours remaining, 112.687500 MB of memory in use. ENERGY: 776200 631.7290 1846.7988 1958.8975 110.8199 1.2541 -1132.9334 0.0000 0.0000 2688.3841 6104.9499 296.9395 3416.5658 6137.6177 296.3773 LDB: ============= START OF LOAD BALANCING ============== 3152.99 LDB: ============== END OF LOAD BALANCING =============== 3152.99 LDB: =============== DONE WITH MIGRATION ================ 3152.99 LDB: ============= START OF LOAD BALANCING ============== 3153.38 LDB: ============== END OF LOAD BALANCING =============== 3153.38 LDB: =============== DONE WITH MIGRATION ================ 3153.38 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: 3151.07, 0.00392871/step Wall: 3151.07, 0.00392871/step, 1.88098 hours remaining, 112.687500 MB of memory in use. ENERGY: 776400 602.7430 1857.6476 1986.4184 119.7006 0.6973 -1108.0967 0.0000 0.0000 2655.9484 6115.0586 293.3569 3459.1102 6148.6008 296.4206 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: 3151.86, 0.00392506/step Wall: 3151.86, 0.00392506/step, 1.87901 hours remaining, 112.687500 MB of memory in use. ENERGY: 776600 654.4155 1835.1019 1984.8204 110.8505 1.5893 -1098.7459 0.0000 0.0000 2649.5682 6137.6000 292.6522 3488.0318 6170.4192 296.0616 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: 3152.64, 0.00391776/step Wall: 3152.64, 0.00391776/step, 1.8753 hours remaining, 112.687500 MB of memory in use. ENERGY: 776800 650.7556 1818.7935 1971.9081 110.2420 2.2815 -1099.2420 0.0000 0.0000 2734.2202 6188.9589 302.0022 3454.7386 6220.5141 297.8139 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: 3153.43, 0.0039243/step Wall: 3153.43, 0.0039243/step, 1.87822 hours remaining, 112.687500 MB of memory in use. ENERGY: 777000 676.9115 1809.6854 1953.0559 100.1715 1.9691 -1078.6977 0.0000 0.0000 2745.0749 6208.1707 303.2012 3463.0958 6243.5355 300.1558 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: 3154.21, 0.00392258/step Wall: 3154.21, 0.00392258/step, 1.87717 hours remaining, 112.687500 MB of memory in use. ENERGY: 777200 638.5357 1879.7653 1921.6410 113.4181 2.7850 -1086.0573 0.0000 0.0000 2753.0340 6223.1218 304.0803 3470.0877 6256.4089 299.5836 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: 3155, 0.00392421/step Wall: 3155, 0.00392421/step, 1.87773 hours remaining, 112.687500 MB of memory in use. ENERGY: 777400 623.7886 1807.3749 1970.7967 108.6810 2.6532 -1084.5657 0.0000 0.0000 2764.0908 6192.8195 305.3015 3428.7286 6230.7506 300.3618 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: 3155.78, 0.00391677/step Wall: 3155.78, 0.00391677/step, 1.87396 hours remaining, 112.687500 MB of memory in use. ENERGY: 777600 632.4565 1891.8962 1965.1304 100.6512 2.6333 -1101.5325 0.0000 0.0000 2706.8964 6198.1315 298.9842 3491.2351 6230.5696 298.5075 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: 3156.56, 0.00392726/step Wall: 3156.56, 0.00392726/step, 1.87876 hours remaining, 112.687500 MB of memory in use. ENERGY: 777800 674.8853 1807.7356 1965.8125 107.7542 1.9144 -1063.9155 0.0000 0.0000 2676.5882 6170.7747 295.6366 3494.1865 6200.4694 299.6630 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: 3157.35, 0.00392592/step Wall: 3157.35, 0.00392592/step, 1.8779 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 778000 658.7098 1814.8088 1927.2750 112.0054 1.9853 -1061.8879 0.0000 0.0000 2716.4804 6169.3769 300.0428 3452.8965 6202.4183 300.1238 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: 3158.13, 0.00392523/step Wall: 3158.13, 0.00392523/step, 1.87735 hours remaining, 112.687500 MB of memory in use. ENERGY: 778200 671.1301 1889.6618 1953.0597 99.2381 2.9240 -1102.7430 0.0000 0.0000 2659.2644 6172.5350 293.7232 3513.2706 6208.0196 299.0831 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: 3158.92, 0.00392645/step Wall: 3158.92, 0.00392645/step, 1.87771 hours remaining, 112.687500 MB of memory in use. ENERGY: 778400 630.0060 1821.2536 1972.3509 111.9223 1.9085 -1069.2132 0.0000 0.0000 2692.1331 6160.3613 297.3536 3468.2282 6192.2650 297.7755 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: 3159.7, 0.00391633/step Wall: 3159.7, 0.00391633/step, 1.87266 hours remaining, 112.687500 MB of memory in use. ENERGY: 778600 660.1365 1838.8730 1936.4500 100.0595 3.9567 -1054.0625 0.0000 0.0000 2650.4142 6135.8274 292.7456 3485.4132 6166.8100 297.3303 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: 3160.49, 0.00392123/step Wall: 3160.49, 0.00392123/step, 1.87478 hours remaining, 112.687500 MB of memory in use. ENERGY: 778800 643.9952 1833.9101 1963.2907 117.6739 4.1033 -1121.9933 0.0000 0.0000 2690.8010 6131.7808 297.2065 3440.9799 6165.9474 295.9776 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: 3161.27, 0.00392077/step Wall: 3161.27, 0.00392077/step, 1.87435 hours remaining, 112.687500 MB of memory in use. ENERGY: 779000 678.2065 1828.1934 1954.5295 115.7726 2.8079 -1092.7735 0.0000 0.0000 2664.3981 6151.1345 294.2902 3486.7364 6179.7148 297.0512 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: 3162.06, 0.00392227/step Wall: 3162.06, 0.00392227/step, 1.87484 hours remaining, 112.687500 MB of memory in use. ENERGY: 779200 675.9283 1870.1915 1971.2714 109.8511 2.0208 -1124.3493 0.0000 0.0000 2680.5422 6185.4560 296.0734 3504.9138 6215.8424 297.9550 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: 3162.84, 0.0039194/step Wall: 3162.84, 0.0039194/step, 1.87325 hours remaining, 112.687500 MB of memory in use. ENERGY: 779400 671.5638 1837.4268 1956.0624 108.8097 2.0119 -1084.8559 0.0000 0.0000 2727.8438 6218.8624 301.2979 3491.0187 6252.8830 301.4023 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: 3163.62, 0.00391841/step Wall: 3163.62, 0.00391841/step, 1.87256 hours remaining, 112.687500 MB of memory in use. ENERGY: 779600 667.4020 1813.7065 1969.1066 117.1719 3.2553 -1082.0004 0.0000 0.0000 2707.9250 6196.5669 299.0979 3488.6419 6230.3185 300.4680 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: 3164.41, 0.00392179/step Wall: 3164.41, 0.00392179/step, 1.87396 hours remaining, 112.687500 MB of memory in use. ENERGY: 779800 659.1872 1822.0840 1956.1813 132.4309 4.5149 -1103.4624 0.0000 0.0000 2719.1804 6190.1163 300.3410 3470.9359 6222.9595 297.5403 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: 3165.19, 0.00392107/step Wall: 3165.19, 0.00392107/step, 1.8734 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 780000 670.3685 1841.9811 1934.0104 110.1235 4.0044 -1087.2746 0.0000 0.0000 2706.9405 6180.1539 298.9891 3473.2134 6212.0920 298.9225 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 780000 WRITING COORDINATES TO DCD FILE MD.1.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: 3166.05, 0.0042672/step Wall: 3166.05, 0.0042672/step, 2.03854 hours remaining, 112.687500 MB of memory in use. ENERGY: 780200 663.9771 1849.5661 1935.5138 106.5707 3.1288 -1065.6914 0.0000 0.0000 2656.9210 6149.9861 293.4643 3493.0651 6182.4633 298.6554 LDB: ============= START OF LOAD BALANCING ============== 3168.75 LDB: ============== END OF LOAD BALANCING =============== 3168.75 LDB: =============== DONE WITH MIGRATION ================ 3168.75 LDB: ============= START OF LOAD BALANCING ============== 3169.14 LDB: ============== END OF LOAD BALANCING =============== 3169.14 LDB: =============== DONE WITH MIGRATION ================ 3169.14 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: 3166.83, 0.00392231/step Wall: 3166.83, 0.00392231/step, 1.87356 hours remaining, 112.687500 MB of memory in use. ENERGY: 780400 697.9624 1825.0872 1910.6206 111.9217 1.3364 -1072.7747 0.0000 0.0000 2655.6928 6129.8463 293.3287 3474.1536 6161.5132 296.2558 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: 3167.61, 0.00392231/step Wall: 3167.61, 0.0039223/step, 1.87333 hours remaining, 112.687500 MB of memory in use. ENERGY: 780600 674.4310 1796.5658 1954.2479 107.2711 2.6135 -1096.3097 0.0000 0.0000 2694.6519 6133.4715 297.6318 3438.8196 6164.8606 296.7579 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: 3168.4, 0.00392355/step Wall: 3168.4, 0.00392355/step, 1.87372 hours remaining, 112.687500 MB of memory in use. ENERGY: 780800 658.5430 1861.9786 1949.3349 112.4811 1.0438 -1082.5901 0.0000 0.0000 2639.2505 6140.0418 291.5126 3500.7913 6169.9104 296.1899 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: 3169.18, 0.00392022/step Wall: 3169.18, 0.00392022/step, 1.8719 hours remaining, 112.687500 MB of memory in use. ENERGY: 781000 676.5680 1857.5054 1969.0887 114.3837 1.3445 -1107.8178 0.0000 0.0000 2677.3422 6188.4147 295.7199 3511.0725 6219.7693 298.1258 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: 3169.97, 0.00392138/step Wall: 3169.97, 0.00392138/step, 1.87224 hours remaining, 112.687500 MB of memory in use. ENERGY: 781200 643.8511 1852.2978 1931.2191 107.2561 0.3603 -1093.5764 0.0000 0.0000 2684.8633 6126.2714 296.5506 3441.4081 6159.1728 299.3434 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: 3170.75, 0.00391693/step Wall: 3170.75, 0.00391693/step, 1.8699 hours remaining, 112.687500 MB of memory in use. ENERGY: 781400 697.1713 1834.6098 1982.0459 105.7449 1.8290 -1061.5219 0.0000 0.0000 2663.2854 6223.1644 294.1673 3559.8789 6255.1022 297.9486 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: 3171.54, 0.00392269/step Wall: 3171.54, 0.00392269/step, 1.87243 hours remaining, 112.687500 MB of memory in use. ENERGY: 781600 658.1049 1836.9466 1965.4229 106.2158 3.1525 -1053.7339 0.0000 0.0000 2757.7362 6273.8449 304.5996 3516.1087 6311.3448 302.5780 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: 3172.32, 0.00392294/step Wall: 3172.32, 0.00392294/step, 1.87233 hours remaining, 112.687500 MB of memory in use. ENERGY: 781800 643.9425 1871.5041 1960.3690 105.6388 2.0876 -1094.1016 0.0000 0.0000 2777.9823 6267.4227 306.8359 3489.4405 6301.2667 303.2024 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: 3173.1, 0.00392188/step Wall: 3173.1, 0.00392188/step, 1.87161 hours remaining, 112.687500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 782000 662.6398 1866.7169 1983.3257 106.4967 1.7429 -1099.7067 0.0000 0.0000 2722.5111 6243.7265 300.7089 3521.2154 6277.6254 303.0419 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: 3173.89, 0.00392477/step Wall: 3173.89, 0.00392477/step, 1.87277 hours remaining, 112.687500 MB of memory in use. ENERGY: 782200 614.0399 1910.1551 1942.7835 114.6674 1.5279 -1068.8678 0.0000 0.0000 2668.7880 6183.0939 294.7751 3514.3060 6215.3094 301.3955 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: 3174.67, 0.00391835/step Wall: 3174.67, 0.00391835/step, 1.86949 hours remaining, 112.847656 MB of memory in use. ENERGY: 782400 658.9818 1830.8941 1945.4027 101.4333 2.4530 -1092.3735 0.0000 0.0000 2756.1140 6202.9054 304.4205 3446.7914 6237.2534 299.6245 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: 3175.46, 0.00392286/step Wall: 3175.46, 0.00392286/step, 1.87142 hours remaining, 112.847656 MB of memory in use. ENERGY: 782600 664.2530 1831.8628 1950.9028 113.5799 0.7028 -1060.8877 0.0000 0.0000 2711.6248 6212.0384 299.5065 3500.4136 6247.8012 299.9319 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: 3176.24, 0.00392123/step Wall: 3176.24, 0.00392123/step, 1.87043 hours remaining, 112.847656 MB of memory in use. ENERGY: 782800 662.7107 1832.3087 1955.1603 104.0514 0.7899 -1082.4612 0.0000 0.0000 2808.2081 6280.7679 310.1744 3472.5598 6316.5492 301.7937 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: 3177.03, 0.00392196/step Wall: 3177.03, 0.00392196/step, 1.87056 hours remaining, 112.847656 MB of memory in use. ENERGY: 783000 676.8714 1890.8708 1943.7180 119.8971 3.4471 -1073.8986 0.0000 0.0000 2736.3037 6297.2094 302.2324 3560.9057 6327.6704 305.9719 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: 3177.81, 0.00391652/step Wall: 3177.81, 0.00391652/step, 1.86774 hours remaining, 112.847656 MB of memory in use. ENERGY: 783200 661.9687 1859.3606 1943.0196 113.0362 2.7281 -1100.0382 0.0000 0.0000 2765.0155 6245.0904 305.4037 3480.0749 6279.3902 303.7045 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: 3178.59, 0.00392197/step Wall: 3178.59, 0.00392197/step, 1.87012 hours remaining, 112.847656 MB of memory in use. ENERGY: 783400 670.6373 1885.3784 1982.7019 101.8234 3.4733 -1100.4338 0.0000 0.0000 2695.4028 6238.9833 297.7148 3543.5805 6269.8749 300.9355 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: 3179.38, 0.00392099/step Wall: 3179.38, 0.00392099/step, 1.86944 hours remaining, 112.847656 MB of memory in use. ENERGY: 783600 678.0501 1878.1637 1966.4576 114.7099 3.1325 -1146.8797 0.0000 0.0000 2694.5559 6188.1899 297.6212 3493.6341 6220.8575 301.1652 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: 3180.16, 0.0039222/step Wall: 3180.16, 0.0039222/step, 1.8698 hours remaining, 112.847656 MB of memory in use. ENERGY: 783800 638.0685 1849.0812 1931.8840 106.5812 2.2074 -1103.4693 0.0000 0.0000 2765.9084 6190.2613 305.5023 3424.3530 6224.6707 301.0176 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: 3180.95, 0.00392456/step Wall: 3180.95, 0.00392456/step, 1.87071 hours remaining, 112.847656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 784000 655.6541 1788.5563 1956.3580 120.8735 2.2198 -1088.7019 0.0000 0.0000 2689.6366 6124.5963 297.0779 3434.9597 6157.7822 299.7156 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: 3181.73, 0.00391707/step Wall: 3181.73, 0.00391707/step, 1.86692 hours remaining, 112.847656 MB of memory in use. ENERGY: 784200 630.0774 1791.3373 1970.1564 103.5754 2.8864 -1048.8824 0.0000 0.0000 2748.4310 6197.5815 303.5719 3449.1505 6233.6167 299.9096 LDB: ============= START OF LOAD BALANCING ============== 3184.43 LDB: ============== END OF LOAD BALANCING =============== 3184.43 LDB: =============== DONE WITH MIGRATION ================ 3184.43 LDB: ============= START OF LOAD BALANCING ============== 3184.83 LDB: ============== END OF LOAD BALANCING =============== 3184.83 LDB: =============== DONE WITH MIGRATION ================ 3184.83 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: 3182.52, 0.00392889/step Wall: 3182.52, 0.00392889/step, 1.87233 hours remaining, 112.847656 MB of memory in use. ENERGY: 784400 682.9900 1789.8989 1966.6819 110.8221 2.1206 -1088.0319 0.0000 0.0000 2716.4063 6180.8878 300.0346 3464.4815 6213.1444 299.4248 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: 3183.3, 0.00392349/step Wall: 3183.3, 0.00392349/step, 1.86955 hours remaining, 112.847656 MB of memory in use. ENERGY: 784600 651.2462 1817.9447 1997.2068 111.2190 2.0005 -1087.5277 0.0000 0.0000 2673.0540 6165.1436 295.2463 3492.0896 6198.2440 297.2947 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: 3184.09, 0.00392602/step Wall: 3184.09, 0.00392602/step, 1.87053 hours remaining, 112.847656 MB of memory in use. ENERGY: 784800 630.8159 1879.6655 1946.0265 113.8873 2.8938 -1105.7990 0.0000 0.0000 2738.9341 6206.4241 302.5229 3467.4899 6243.2364 297.9067 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: 3184.87, 0.00391978/step Wall: 3184.87, 0.00391978/step, 1.86734 hours remaining, 112.847656 MB of memory in use. ENERGY: 785000 687.4262 1852.9678 1969.1619 110.8941 1.8852 -1105.0413 0.0000 0.0000 2714.9515 6232.2454 299.8740 3517.2939 6265.9219 299.7330 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: 3185.66, 0.00392467/step Wall: 3185.66, 0.00392467/step, 1.86945 hours remaining, 112.847656 MB of memory in use. ENERGY: 785200 656.4236 1821.9354 1958.8216 107.6136 3.3236 -1070.0831 0.0000 0.0000 2729.6671 6207.7018 301.4993 3478.0348 6243.2451 299.0546 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: 3186.44, 0.00393899/step Wall: 3186.44, 0.00393899/step, 1.87606 hours remaining, 112.851562 MB of memory in use. ENERGY: 785400 667.9023 1850.6157 1948.0632 110.1370 1.5335 -1080.7013 0.0000 0.0000 2727.5479 6225.0983 301.2653 3497.5504 6255.1866 300.5708 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: 3187.23, 0.00392912/step Wall: 3187.23, 0.00392912/step, 1.87113 hours remaining, 112.851562 MB of memory in use. ENERGY: 785600 685.6123 1814.4441 1962.2452 99.7191 2.7720 -1040.6784 0.0000 0.0000 2697.4823 6221.5967 297.9444 3524.1144 6253.5746 300.0376 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: 3188.01, 0.0039265/step Wall: 3188.01, 0.0039265/step, 1.86967 hours remaining, 113.035156 MB of memory in use. ENERGY: 785800 650.3275 1846.7611 1962.0122 109.6365 1.4519 -1058.3907 0.0000 0.0000 2696.4400 6208.2386 297.8293 3511.7986 6242.0808 300.2263 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: 3188.8, 0.00391822/step Wall: 3188.8, 0.00391822/step, 1.86551 hours remaining, 113.042969 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 786000 624.8555 1858.9512 1961.6915 110.1979 2.9897 -1075.4809 0.0000 0.0000 2682.1209 6165.3259 296.2477 3483.2049 6200.4049 298.6907 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: 3189.58, 0.00392408/step Wall: 3189.58, 0.00392408/step, 1.86808 hours remaining, 113.046875 MB of memory in use. ENERGY: 786200 641.4496 1803.2417 1947.8530 101.6666 1.9137 -1075.4755 0.0000 0.0000 2672.3233 6092.9725 295.1656 3420.6492 6125.4564 296.1361 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: 3190.37, 0.00392428/step Wall: 3190.37, 0.00392428/step, 1.86796 hours remaining, 113.046875 MB of memory in use. ENERGY: 786400 639.4565 1830.4029 1950.0263 104.0621 2.8173 -1134.0526 0.0000 0.0000 2659.1818 6051.8942 293.7140 3392.7124 6085.8169 294.0441 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: 3191.15, 0.00392164/step Wall: 3191.15, 0.00392164/step, 1.86648 hours remaining, 113.046875 MB of memory in use. ENERGY: 786600 675.3925 1824.8514 1961.8874 104.3457 1.2280 -1109.0824 0.0000 0.0000 2566.3931 6025.0158 283.4653 3458.6227 6056.8437 289.7600 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: 3191.94, 0.00392272/step Wall: 3191.94, 0.00392272/step, 1.86678 hours remaining, 113.046875 MB of memory in use. ENERGY: 786800 629.5983 1843.7318 1920.0823 98.9932 1.6517 -1074.9734 0.0000 0.0000 2611.6358 6030.7196 288.4624 3419.0838 6060.6122 291.0400 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: 3192.72, 0.0039175/step Wall: 3192.72, 0.0039175/step, 1.86407 hours remaining, 113.046875 MB of memory in use. ENERGY: 787000 638.2152 1831.7804 1928.4443 112.4483 2.6163 -1066.8528 0.0000 0.0000 2655.9211 6102.5727 293.3539 3446.6516 6132.2488 292.5657 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: 3193.51, 0.00392724/step Wall: 3193.51, 0.00392724/step, 1.8685 hours remaining, 113.046875 MB of memory in use. ENERGY: 787200 656.8659 1797.1511 1962.9423 103.6461 2.2978 -1100.2880 0.0000 0.0000 2698.4278 6121.0429 298.0489 3422.6151 6153.5523 296.5384 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: 3194.29, 0.00392449/step Wall: 3194.29, 0.00392449/step, 1.86697 hours remaining, 113.046875 MB of memory in use. ENERGY: 787400 661.1392 1867.3706 1952.5082 93.4921 1.2072 -1099.0596 0.0000 0.0000 2698.8929 6175.5507 298.1002 3476.6578 6210.1359 296.9381 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: 3195.08, 0.00392423/step Wall: 3195.08, 0.00392423/step, 1.86663 hours remaining, 113.046875 MB of memory in use. ENERGY: 787600 644.3429 1849.5440 1955.6853 101.7491 1.1487 -1078.9245 0.0000 0.0000 2690.4663 6164.0117 297.1695 3473.5454 6197.9669 298.4610 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: 3195.86, 0.00392111/step Wall: 3195.86, 0.00392111/step, 1.86492 hours remaining, 113.046875 MB of memory in use. ENERGY: 787800 679.1948 1835.1477 1965.3717 98.2857 2.0846 -1078.0274 0.0000 0.0000 2664.7166 6166.7736 294.3254 3502.0571 6196.9145 297.5012 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: 3196.64, 0.00392632/step Wall: 3196.64, 0.00392632/step, 1.86719 hours remaining, 113.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 788000 670.0938 1831.4470 1953.5611 98.2058 1.0890 -1107.1040 0.0000 0.0000 2670.3425 6117.6352 294.9468 3447.2927 6150.8715 296.7809 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: 3197.43, 0.00394037/step Wall: 3197.43, 0.00394037/step, 1.87365 hours remaining, 113.046875 MB of memory in use. ENERGY: 788200 658.5801 1859.6522 1966.0729 105.2235 1.9240 -1107.6287 0.0000 0.0000 2675.2961 6159.1202 295.4939 3483.8240 6189.2249 296.4310 LDB: ============= START OF LOAD BALANCING ============== 3200.13 LDB: ============== END OF LOAD BALANCING =============== 3200.13 LDB: =============== DONE WITH MIGRATION ================ 3200.13 LDB: ============= START OF LOAD BALANCING ============== 3200.53 LDB: ============== END OF LOAD BALANCING =============== 3200.53 LDB: =============== DONE WITH MIGRATION ================ 3200.53 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: 3198.22, 0.0039265/step Wall: 3198.22, 0.0039265/step, 1.86683 hours remaining, 113.046875 MB of memory in use. ENERGY: 788400 649.3998 1809.5259 1936.4325 121.2401 1.9123 -1089.2988 0.0000 0.0000 2721.4221 6150.6339 300.5887 3429.2118 6187.0018 297.2534 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: 3199, 0.00392449/step Wall: 3199, 0.00392449/step, 1.86566 hours remaining, 113.046875 MB of memory in use. ENERGY: 788600 662.6213 1816.7602 1946.3933 115.6568 1.9973 -1069.5312 0.0000 0.0000 2682.6287 6156.5263 296.3038 3473.8976 6190.0742 297.8406 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: 3199.79, 0.00391742/step Wall: 3199.79, 0.00391742/step, 1.86208 hours remaining, 113.046875 MB of memory in use. ENERGY: 788800 613.8160 1838.5598 1955.4868 100.0051 1.2258 -1053.5666 0.0000 0.0000 2750.5312 6206.0580 303.8038 3455.5269 6242.4571 298.6202 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: 3200.57, 0.0039229/step Wall: 3200.57, 0.0039229/step, 1.86446 hours remaining, 113.046875 MB of memory in use. ENERGY: 789000 658.3197 1895.5699 1984.5820 110.9343 1.4331 -1085.8561 0.0000 0.0000 2718.1699 6283.1528 300.2294 3564.9828 6314.4356 302.3000 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: 3201.36, 0.00392177/step Wall: 3201.36, 0.00392177/step, 1.86371 hours remaining, 113.046875 MB of memory in use. ENERGY: 789200 656.0069 1892.5959 1973.2711 104.5029 0.8218 -1054.2117 0.0000 0.0000 2714.5587 6287.5456 299.8306 3572.9870 6321.6940 303.2965 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: 3202.14, 0.00392072/step Wall: 3202.14, 0.00392072/step, 1.863 hours remaining, 113.046875 MB of memory in use. ENERGY: 789400 637.2013 1914.8284 1977.8588 112.8270 3.0411 -1103.9882 0.0000 0.0000 2742.1592 6283.9274 302.8791 3541.7683 6317.9018 304.2126 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: 3202.92, 0.00391732/step Wall: 3202.92, 0.00391732/step, 1.86116 hours remaining, 113.046875 MB of memory in use. ENERGY: 789600 660.2473 1835.8706 1958.0607 102.4466 2.1334 -1091.3035 0.0000 0.0000 2806.9683 6274.4235 310.0375 3467.4552 6309.3365 304.2062 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: 3203.71, 0.00392151/step Wall: 3203.71, 0.00392151/step, 1.86293 hours remaining, 113.046875 MB of memory in use. ENERGY: 789800 659.0262 1864.4592 1976.4170 119.0159 2.6100 -1069.2439 0.0000 0.0000 2722.8980 6275.1826 300.7517 3552.2845 6307.4149 302.9858 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: 3204.49, 0.00392545/step Wall: 3204.49, 0.00392545/step, 1.86459 hours remaining, 113.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 790000 685.7971 1899.4008 1967.4843 110.6736 1.0708 -1093.6929 0.0000 0.0000 2708.8406 6279.5743 299.1990 3570.7337 6311.6998 303.9632 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 790000 WRITING COORDINATES TO DCD FILE MD.1.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: 3205.33, 0.0041996/step Wall: 3205.33, 0.0041996/step, 1.99458 hours remaining, 113.046875 MB of memory in use. ENERGY: 790200 669.1353 1840.0877 1930.4928 111.6491 1.6530 -1102.1685 0.0000 0.0000 2762.6126 6213.4619 305.1383 3450.8493 6251.4005 301.7328 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: 3206.12, 0.00392327/step Wall: 3206.12, 0.00392327/step, 1.86312 hours remaining, 113.046875 MB of memory in use. ENERGY: 790400 684.3681 1871.7769 1967.9524 111.9789 0.9043 -1101.6813 0.0000 0.0000 2692.4645 6227.7639 297.3902 3535.2994 6260.7517 300.4507 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: 3206.9, 0.00391899/step Wall: 3206.9, 0.00391899/step, 1.86087 hours remaining, 113.046875 MB of memory in use. ENERGY: 790600 629.7602 1878.9927 1960.7630 109.6543 1.8187 -1081.4106 0.0000 0.0000 2746.3174 6245.8958 303.3384 3499.5784 6281.3945 303.6621 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: 3207.69, 0.00392283/step Wall: 3207.69, 0.00392283/step, 1.86247 hours remaining, 113.046875 MB of memory in use. ENERGY: 790800 653.1394 1886.8226 1940.6930 108.7697 0.9921 -1110.7336 0.0000 0.0000 2713.5852 6193.2684 299.7230 3479.6832 6225.9879 300.0658 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: 3208.47, 0.00392372/step Wall: 3208.47, 0.00392372/step, 1.86267 hours remaining, 113.046875 MB of memory in use. ENERGY: 791000 626.2133 1848.1483 1948.5275 101.2322 1.7910 -1053.8560 0.0000 0.0000 2742.3028 6214.3590 302.8950 3472.0562 6247.8861 300.0765 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: 3209.25, 0.00392177/step Wall: 3209.25, 0.00392177/step, 1.86153 hours remaining, 113.046875 MB of memory in use. ENERGY: 791200 613.5625 1882.4401 1960.4946 109.7400 1.1591 -1056.9884 0.0000 0.0000 2757.8728 6268.2807 304.6147 3510.4079 6302.9893 302.8374 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: 3210.04, 0.00392322/step Wall: 3210.04, 0.00392322/step, 1.862 hours remaining, 113.046875 MB of memory in use. ENERGY: 791400 677.0044 1893.1325 1969.8631 111.9609 1.2874 -1062.4291 0.0000 0.0000 2715.3606 6306.1798 299.9191 3590.8192 6338.1583 304.1249 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: 3210.82, 0.00391713/step Wall: 3210.82, 0.00391713/step, 1.85889 hours remaining, 113.046875 MB of memory in use. ENERGY: 791600 645.5097 1869.1116 1969.4807 101.3863 3.2226 -1072.7386 0.0000 0.0000 2788.8876 6304.8599 308.0404 3515.9723 6337.9410 303.1805 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: 3211.61, 0.00392363/step Wall: 3211.61, 0.00392363/step, 1.86176 hours remaining, 113.046875 MB of memory in use. ENERGY: 791800 659.8603 1867.8300 1963.7814 103.2654 2.0491 -1092.4404 0.0000 0.0000 2805.7540 6310.0998 309.9033 3504.3458 6345.5763 305.2610 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: 3212.39, 0.00392111/step Wall: 3212.39, 0.00392111/step, 1.86035 hours remaining, 113.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 792000 661.5893 1863.3352 1975.6087 115.3631 -0.0286 -1088.0866 0.0000 0.0000 2794.9320 6322.7130 308.7080 3527.7810 6355.8640 307.2922 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: 3213.18, 0.00392022/step Wall: 3213.18, 0.00392022/step, 1.85971 hours remaining, 113.046875 MB of memory in use. ENERGY: 792200 695.6475 1854.6547 1959.9471 119.7623 1.2384 -1093.0149 0.0000 0.0000 2808.0051 6346.2403 310.1520 3538.2352 6378.7341 306.7269 LDB: ============= START OF LOAD BALANCING ============== 3215.88 LDB: ============== END OF LOAD BALANCING =============== 3215.88 LDB: =============== DONE WITH MIGRATION ================ 3215.88 LDB: ============= START OF LOAD BALANCING ============== 3216.27 LDB: ============== END OF LOAD BALANCING =============== 3216.27 LDB: =============== DONE WITH MIGRATION ================ 3216.27 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: 3213.96, 0.0039202/step Wall: 3213.96, 0.0039202/step, 1.85948 hours remaining, 113.046875 MB of memory in use. ENERGY: 792400 649.0255 1882.1343 1968.2866 108.1447 0.8982 -1057.5217 0.0000 0.0000 2782.9475 6333.9151 307.3843 3550.9676 6367.7435 307.8498 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: 3214.74, 0.00392218/step Wall: 3214.74, 0.00392218/step, 1.8602 hours remaining, 113.046875 MB of memory in use. ENERGY: 792600 675.1097 1916.3150 1968.8597 112.2471 0.7612 -1101.4249 0.0000 0.0000 2757.3512 6329.2191 304.5571 3571.8679 6360.8248 306.1596 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: 3215.53, 0.00392205/step Wall: 3215.53, 0.00392205/step, 1.85992 hours remaining, 113.046875 MB of memory in use. ENERGY: 792800 682.3464 1879.9531 1973.6561 104.1129 1.7926 -1101.8082 0.0000 0.0000 2770.3954 6310.4482 305.9979 3540.0528 6341.8315 306.3529 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: 3216.31, 0.00392324/step Wall: 3216.31, 0.00392324/step, 1.86027 hours remaining, 113.046875 MB of memory in use. ENERGY: 793000 650.8060 1870.8850 1950.0851 125.4689 2.6541 -1073.9530 0.0000 0.0000 2763.7399 6289.6861 305.2628 3525.9461 6321.5201 305.7377 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: 3217.1, 0.00392208/step Wall: 3217.1, 0.00392208/step, 1.8595 hours remaining, 113.046875 MB of memory in use. ENERGY: 793200 640.8902 1839.1227 1964.7372 111.8282 2.5748 -1081.2373 0.0000 0.0000 2734.3992 6212.3150 302.0220 3477.9158 6245.4208 302.0565 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: 3217.88, 0.00391788/step Wall: 3217.88, 0.00391788/step, 1.85729 hours remaining, 113.046875 MB of memory in use. ENERGY: 793400 670.1566 1848.4015 1991.2937 102.5197 3.7315 -1115.0195 0.0000 0.0000 2718.3971 6219.4805 300.2545 3501.0834 6250.9239 301.3769 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: 3218.67, 0.0039244/step Wall: 3218.67, 0.0039244/step, 1.86017 hours remaining, 113.046875 MB of memory in use. ENERGY: 793600 637.8248 1880.7827 1943.7085 107.8022 3.5490 -1095.4124 0.0000 0.0000 2759.2784 6237.5334 304.7700 3478.2550 6270.6596 302.3672 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: 3219.45, 0.00392291/step Wall: 3219.45, 0.00392291/step, 1.85924 hours remaining, 113.046875 MB of memory in use. ENERGY: 793800 653.2948 1865.4058 1926.8136 93.4818 3.6748 -1103.8504 0.0000 0.0000 2773.0600 6211.8806 306.2922 3438.8205 6248.3920 302.2074 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: 3220.24, 0.00392132/step Wall: 3220.24, 0.00392132/step, 1.85827 hours remaining, 113.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 794000 672.2850 1860.9699 1966.1732 115.9359 1.9877 -1085.1815 0.0000 0.0000 2716.0307 6248.2010 299.9932 3532.1703 6278.3664 303.0372 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: 3221.02, 0.00392495/step Wall: 3221.02, 0.00392495/step, 1.85977 hours remaining, 113.046875 MB of memory in use. ENERGY: 794200 655.3727 1901.9533 1957.6596 115.1704 1.7298 -1093.6457 0.0000 0.0000 2720.8311 6259.0713 300.5234 3538.2402 6289.3201 302.8906 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: 3221.8, 0.0039184/step Wall: 3221.8, 0.0039184/step, 1.85645 hours remaining, 113.046875 MB of memory in use. ENERGY: 794400 691.2696 1861.5607 1945.8046 113.4596 1.5595 -1058.3682 0.0000 0.0000 2744.9612 6300.2469 303.1886 3555.2857 6334.8847 303.6812 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: 3222.59, 0.00392578/step Wall: 3222.59, 0.00392578/step, 1.85973 hours remaining, 113.046875 MB of memory in use. ENERGY: 794600 681.7825 1857.8683 1924.7953 107.3890 4.5939 -1077.8085 0.0000 0.0000 2792.9716 6291.5922 308.4915 3498.6206 6327.8170 305.0161 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: 3223.37, 0.00392478/step Wall: 3223.37, 0.00392478/step, 1.85904 hours remaining, 113.046875 MB of memory in use. ENERGY: 794800 663.9698 1884.0373 1959.5798 108.5493 2.5755 -1086.1017 0.0000 0.0000 2759.7912 6292.4012 304.8266 3532.6100 6322.5271 303.5901 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: 3224.16, 0.00392428/step Wall: 3224.16, 0.00392429/step, 1.85859 hours remaining, 113.046875 MB of memory in use. ENERGY: 795000 643.1606 1866.1192 1980.4096 115.6139 3.2056 -1062.0100 0.0000 0.0000 2713.1102 6259.6091 299.6706 3546.4988 6291.4158 302.5194 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: 3224.94, 0.00391824/step Wall: 3224.94, 0.00391823/step, 1.8555 hours remaining, 113.046875 MB of memory in use. ENERGY: 795200 673.9272 1868.9995 1988.4483 112.4666 2.6558 -1070.5580 0.0000 0.0000 2654.2304 6230.1698 293.1671 3575.9394 6262.0556 302.4980 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: 3225.73, 0.00392509/step Wall: 3225.73, 0.0039251/step, 1.85853 hours remaining, 113.046875 MB of memory in use. ENERGY: 795400 684.1411 1862.8808 1942.1826 98.5612 0.4100 -1098.7735 0.0000 0.0000 2683.6146 6173.0170 296.4127 3489.4024 6204.5442 300.1894 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: 3226.51, 0.00392524/step Wall: 3226.51, 0.00392524/step, 1.85839 hours remaining, 113.046875 MB of memory in use. ENERGY: 795600 658.7851 1840.7944 1933.2935 108.5949 1.9074 -1079.7555 0.0000 0.0000 2704.2229 6167.8428 298.6889 3463.6199 6197.9389 299.2729 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: 3227.3, 0.00392381/step Wall: 3227.3, 0.00392381/step, 1.85749 hours remaining, 113.046875 MB of memory in use. ENERGY: 795800 671.2479 1812.5856 1973.2908 98.9209 3.5469 -1071.4273 0.0000 0.0000 2639.9245 6128.0892 291.5870 3488.1648 6160.3127 297.0665 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: 3228.08, 0.003926/step Wall: 3228.08, 0.003926/step, 1.85831 hours remaining, 113.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 796000 632.6257 1833.6602 1951.9225 109.2768 2.9832 -1074.7616 0.0000 0.0000 2667.8361 6123.5429 294.6699 3455.7068 6153.3114 295.0863 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: 3228.87, 0.00391984/step Wall: 3228.87, 0.00391984/step, 1.85517 hours remaining, 113.046875 MB of memory in use. ENERGY: 796200 659.3701 1834.9721 1941.9249 103.2053 1.4300 -1107.3536 0.0000 0.0000 2640.6459 6074.1947 291.6667 3433.5488 6104.8469 294.6581 LDB: ============= START OF LOAD BALANCING ============== 3231.57 LDB: ============== END OF LOAD BALANCING =============== 3231.57 LDB: =============== DONE WITH MIGRATION ================ 3231.57 LDB: ============= START OF LOAD BALANCING ============== 3231.96 LDB: ============== END OF LOAD BALANCING =============== 3231.96 LDB: =============== DONE WITH MIGRATION ================ 3231.96 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: 3229.65, 0.0039306/step Wall: 3229.65, 0.0039306/step, 1.86005 hours remaining, 113.046875 MB of memory in use. ENERGY: 796400 629.7321 1814.7419 1933.1495 101.6407 0.8038 -1082.4103 0.0000 0.0000 2722.7139 6120.3717 300.7313 3397.6578 6154.0483 294.4026 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: 3230.44, 0.00392539/step Wall: 3230.44, 0.00392539/step, 1.85736 hours remaining, 113.046875 MB of memory in use. ENERGY: 796600 666.3474 1798.5095 1960.5958 103.1328 2.3543 -1067.5034 0.0000 0.0000 2689.5056 6152.9420 297.0634 3463.4364 6183.4635 297.4375 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: 3231.22, 0.00392403/step Wall: 3231.22, 0.00392403/step, 1.8565 hours remaining, 113.046875 MB of memory in use. ENERGY: 796800 635.1030 1868.3741 1977.3870 117.7475 2.2474 -1072.1553 0.0000 0.0000 2686.4895 6215.1932 296.7302 3528.7038 6247.5522 299.0593 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: 3232.01, 0.00391806/step Wall: 3232.01, 0.00391806/step, 1.85346 hours remaining, 113.046875 MB of memory in use. ENERGY: 797000 660.5701 1824.4733 1932.9056 116.4399 2.4356 -1093.1056 0.0000 0.0000 2816.7071 6260.4260 311.1131 3443.7189 6294.9738 301.8321 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: 3232.79, 0.00392492/step Wall: 3232.79, 0.00392492/step, 1.85649 hours remaining, 113.046875 MB of memory in use. ENERGY: 797200 673.7572 1837.8644 1973.4787 113.2624 1.2413 -1068.9146 0.0000 0.0000 2718.3330 6249.0224 300.2475 3530.6894 6280.7361 302.3900 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: 3233.58, 0.00392416/step Wall: 3233.58, 0.00392416/step, 1.85591 hours remaining, 113.046875 MB of memory in use. ENERGY: 797400 677.6778 1855.2347 1953.9152 117.9587 1.9997 -1102.1679 0.0000 0.0000 2742.1742 6246.7924 302.8808 3504.6182 6281.4590 301.7652 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: 3234.36, 0.00392458/step Wall: 3234.36, 0.00392458/step, 1.85589 hours remaining, 113.046875 MB of memory in use. ENERGY: 797600 654.4415 1836.7098 1967.6685 95.4364 0.9711 -1029.2867 0.0000 0.0000 2713.9795 6239.9202 299.7666 3525.9407 6272.9207 300.8042 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: 3235.15, 0.00392506/step Wall: 3235.15, 0.00392506/step, 1.8559 hours remaining, 113.046875 MB of memory in use. ENERGY: 797800 665.8074 1851.3073 1937.8474 101.1796 2.2146 -1076.6977 0.0000 0.0000 2693.0405 6174.6992 297.4538 3481.6586 6206.6867 300.2812 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: 3235.93, 0.00391965/step Wall: 3235.93, 0.00391965/step, 1.85312 hours remaining, 113.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 798000 605.3825 1828.2620 1970.1167 109.6222 3.7030 -1051.1395 0.0000 0.0000 2681.2665 6147.2134 296.1534 3465.9469 6175.9664 299.1001 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: 3236.71, 0.00392623/step Wall: 3236.71, 0.00392623/step, 1.85602 hours remaining, 113.046875 MB of memory in use. ENERGY: 798200 649.5030 1813.7465 1967.2101 105.5169 2.0062 -1065.3232 0.0000 0.0000 2673.7778 6146.4373 295.3262 3472.6595 6177.2061 297.9638 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: 3237.5, 0.00393219/step Wall: 3237.5, 0.00393219/step, 1.85862 hours remaining, 113.046875 MB of memory in use. ENERGY: 798400 669.7061 1784.2030 1975.2989 108.3354 3.1262 -1077.9287 0.0000 0.0000 2705.3223 6168.0632 298.8104 3462.7409 6201.8591 297.9879 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: 3238.29, 0.00392245/step Wall: 3238.29, 0.00392245/step, 1.85379 hours remaining, 113.046875 MB of memory in use. ENERGY: 798600 659.0946 1823.3991 1990.0805 125.6401 3.2836 -1117.6813 0.0000 0.0000 2751.8099 6235.6266 303.9451 3483.8167 6266.5639 298.0385 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: 3239.07, 0.00392373/step Wall: 3239.07, 0.00392373/step, 1.85418 hours remaining, 113.046875 MB of memory in use. ENERGY: 798800 673.5362 1860.3048 1931.8353 109.1362 2.1177 -1087.9077 0.0000 0.0000 2747.4971 6236.5196 303.4687 3489.0225 6267.1269 303.0706 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: 3239.85, 0.00391919/step Wall: 3239.85, 0.00391919/step, 1.85182 hours remaining, 113.050781 MB of memory in use. ENERGY: 799000 647.6946 1878.5931 1942.8374 101.0994 1.1364 -1052.0989 0.0000 0.0000 2704.5225 6223.7843 298.7220 3519.2619 6257.5259 301.9490 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: 3240.64, 0.00392335/step Wall: 3240.64, 0.00392335/step, 1.85356 hours remaining, 113.050781 MB of memory in use. ENERGY: 799200 612.5495 1850.9911 1944.7702 119.1147 1.5563 -1068.6095 0.0000 0.0000 2767.0412 6227.4135 305.6274 3460.3722 6261.5159 301.4308 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: 3241.42, 0.00392232/step Wall: 3241.42, 0.00392232/step, 1.85286 hours remaining, 113.050781 MB of memory in use. ENERGY: 799400 626.7501 1864.6854 1926.5966 92.5607 1.9522 -1098.2909 0.0000 0.0000 2727.0823 6141.3365 301.2138 3414.2541 6175.8806 299.6664 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: 3242.21, 0.00392244/step Wall: 3242.21, 0.00392244/step, 1.8527 hours remaining, 113.050781 MB of memory in use. ENERGY: 799600 650.0489 1902.0075 1936.4136 100.2852 0.7803 -1114.8693 0.0000 0.0000 2741.2816 6215.9479 302.7822 3474.6663 6246.7107 298.9909 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: 3242.99, 0.00391828/step Wall: 3242.99, 0.00391828/step, 1.85052 hours remaining, 113.050781 MB of memory in use. ENERGY: 799800 655.7008 1914.6809 1913.9612 109.0112 1.2420 -1108.7092 0.0000 0.0000 2679.2477 6165.1347 295.9304 3485.8870 6195.9824 301.1151 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: 3243.78, 0.00392558/step Wall: 3243.78, 0.00392558/step, 1.85375 hours remaining, 113.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 800000 644.5822 1810.7154 1944.8260 107.6304 3.2792 -1098.7049 0.0000 0.0000 2760.5651 6172.8934 304.9121 3412.3283 6207.1893 297.1463 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 800000 WRITING COORDINATES TO DCD FILE MD.1.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: 3244.63, 0.00424163/step Wall: 3244.63, 0.00424163/step, 2.00276 hours remaining, 113.050781 MB of memory in use. ENERGY: 800200 663.0362 1824.4112 1917.7890 109.1654 2.5466 -1082.3966 0.0000 0.0000 2674.7886 6109.3406 295.4379 3434.5520 6138.8816 296.3982 LDB: ============= START OF LOAD BALANCING ============== 3247.33 LDB: ============== END OF LOAD BALANCING =============== 3247.33 LDB: =============== DONE WITH MIGRATION ================ 3247.33 LDB: ============= START OF LOAD BALANCING ============== 3247.72 LDB: ============== END OF LOAD BALANCING =============== 3247.72 LDB: =============== DONE WITH MIGRATION ================ 3247.72 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: 3245.41, 0.00392865/step Wall: 3245.41, 0.00392865/step, 1.85476 hours remaining, 113.050781 MB of memory in use. ENERGY: 800400 674.6592 1804.2750 1955.2513 102.7303 3.2987 -1087.3062 0.0000 0.0000 2618.3757 6071.2840 289.2069 3452.9083 6100.9440 294.7403 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: 3246.2, 0.00393104/step Wall: 3246.2, 0.00393104/step, 1.85567 hours remaining, 113.050781 MB of memory in use. ENERGY: 800600 606.0485 1818.8439 1945.7730 108.4344 4.3950 -1072.8070 0.0000 0.0000 2706.6016 6117.2894 298.9517 3410.6879 6151.7771 295.0313 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: 3246.98, 0.00392256/step Wall: 3246.98, 0.00392255/step, 1.85144 hours remaining, 113.050781 MB of memory in use. ENERGY: 800800 660.5682 1818.9491 1955.9408 109.8235 3.6380 -1083.6551 0.0000 0.0000 2658.6251 6123.8895 293.6525 3465.2645 6157.9361 296.1630 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: 3247.77, 0.00392713/step Wall: 3247.77, 0.00392713/step, 1.85339 hours remaining, 113.050781 MB of memory in use. ENERGY: 801000 612.5291 1825.2411 1961.4044 115.2752 4.0956 -1079.6126 0.0000 0.0000 2692.8044 6131.7372 297.4277 3438.9328 6164.3689 294.9248 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: 3248.55, 0.00392464/step Wall: 3248.55, 0.00392465/step, 1.852 hours remaining, 113.050781 MB of memory in use. ENERGY: 801200 628.4435 1795.6648 1975.0701 107.9676 3.9282 -1081.6326 0.0000 0.0000 2724.5167 6153.9584 300.9305 3429.4417 6190.6738 297.3006 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: 3249.34, 0.00392434/step Wall: 3249.34, 0.00392434/step, 1.85163 hours remaining, 113.050781 MB of memory in use. ENERGY: 801400 648.8940 1841.0216 1975.8107 115.0426 3.4451 -1099.5036 0.0000 0.0000 2669.5052 6154.2155 294.8543 3484.7103 6185.3457 298.5096 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: 3250.12, 0.00392398/step Wall: 3250.12, 0.00392398/step, 1.85124 hours remaining, 113.050781 MB of memory in use. ENERGY: 801600 617.7373 1842.9063 1964.3272 106.2890 3.6444 -1072.5371 0.0000 0.0000 2680.8583 6143.2253 296.1083 3462.3670 6174.2128 296.7758 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: 3250.91, 0.00391769/step Wall: 3250.91, 0.00391769/step, 1.84806 hours remaining, 113.050781 MB of memory in use. ENERGY: 801800 661.8736 1849.5511 1933.3115 112.6527 2.8464 -1114.8021 0.0000 0.0000 2730.5654 6175.9985 301.5986 3445.4331 6206.2785 298.4810 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: 3251.69, 0.0039254/step Wall: 3251.69, 0.0039254/step, 1.85148 hours remaining, 113.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 802000 659.0681 1842.6085 1954.1023 97.0398 3.7486 -1064.6712 0.0000 0.0000 2732.0234 6223.9196 301.7596 3491.8962 6256.1296 299.3107 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: 3252.48, 0.00392655/step Wall: 3252.48, 0.00392655/step, 1.8518 hours remaining, 113.050781 MB of memory in use. ENERGY: 802200 673.1308 1864.5096 1951.4871 111.4761 2.4301 -1050.7357 0.0000 0.0000 2714.1294 6266.4274 299.7832 3552.2981 6298.8327 303.5544 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: 3253.26, 0.00392432/step Wall: 3253.26, 0.00392432/step, 1.85054 hours remaining, 113.050781 MB of memory in use. ENERGY: 802400 668.7869 1842.3669 1947.4642 110.2886 3.2427 -1106.6961 0.0000 0.0000 2805.1495 6270.6027 309.8366 3465.4532 6302.9415 302.6620 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: 3254.04, 0.00391799/step Wall: 3254.04, 0.00391799/step, 1.84733 hours remaining, 113.050781 MB of memory in use. ENERGY: 802600 629.5155 1898.1449 1985.8867 117.0516 1.7879 -1113.3493 0.0000 0.0000 2768.6842 6287.7216 305.8089 3519.0374 6319.6630 304.7781 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: 3254.83, 0.00392546/step Wall: 3254.83, 0.00392546/step, 1.85064 hours remaining, 113.050781 MB of memory in use. ENERGY: 802800 609.9836 1906.0132 1960.0077 109.5398 4.6677 -1095.1611 0.0000 0.0000 2745.3413 6240.3921 303.2306 3495.0509 6273.0445 305.0442 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: 3255.61, 0.00392467/step Wall: 3255.61, 0.00392467/step, 1.85005 hours remaining, 113.050781 MB of memory in use. ENERGY: 803000 696.3241 1850.1837 1944.3031 112.1358 2.6954 -1120.8140 0.0000 0.0000 2735.6007 6220.4288 302.1547 3484.8281 6256.1182 302.2966 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: 3256.4, 0.00392573/step Wall: 3256.4, 0.00392573/step, 1.85033 hours remaining, 113.050781 MB of memory in use. ENERGY: 803200 634.7455 1839.2096 1967.3746 106.0342 3.6169 -1087.7885 0.0000 0.0000 2714.8839 6178.0761 299.8665 3463.1923 6214.7642 302.0223 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: 3257.18, 0.00392413/step Wall: 3257.18, 0.00392413/step, 1.84936 hours remaining, 113.050781 MB of memory in use. ENERGY: 803400 665.2077 1828.5877 1924.8604 110.5121 3.2626 -1079.4105 0.0000 0.0000 2718.1969 6171.2169 300.2324 3453.0200 6204.0682 299.3413 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: 3257.97, 0.00391912/step Wall: 3257.97, 0.00391912/step, 1.84678 hours remaining, 113.050781 MB of memory in use. ENERGY: 803600 654.4860 1827.7009 1936.9034 106.1780 2.3589 -1076.4375 0.0000 0.0000 2716.7357 6167.9254 300.0710 3451.1898 6199.4941 298.0729 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: 3258.75, 0.00392536/step Wall: 3258.75, 0.00392536/step, 1.8495 hours remaining, 113.050781 MB of memory in use. ENERGY: 803800 656.4197 1833.6844 1917.5092 124.2693 3.7618 -1082.4224 0.0000 0.0000 2702.8001 6156.0220 298.5318 3453.2219 6190.7077 297.9720 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: 3259.54, 0.00392445/step Wall: 3259.54, 0.00392445/step, 1.84885 hours remaining, 113.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 804000 662.4898 1884.2439 1956.9601 107.2341 1.7167 -1111.4312 0.0000 0.0000 2682.7751 6183.9887 296.3200 3501.2136 6215.7977 297.4426 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: 3260.32, 0.00392452/step Wall: 3260.32, 0.00392452/step, 1.84867 hours remaining, 113.050781 MB of memory in use. ENERGY: 804200 660.7400 1860.9662 1973.0648 109.5142 2.5232 -1117.1396 0.0000 0.0000 2700.0465 6189.7152 298.2277 3489.6688 6221.2001 300.3796 LDB: ============= START OF LOAD BALANCING ============== 3263.02 LDB: ============== END OF LOAD BALANCING =============== 3263.02 LDB: =============== DONE WITH MIGRATION ================ 3263.02 LDB: ============= START OF LOAD BALANCING ============== 3263.42 LDB: ============== END OF LOAD BALANCING =============== 3263.42 LDB: =============== DONE WITH MIGRATION ================ 3263.42 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: 3261.11, 0.00392831/step Wall: 3261.11, 0.00392831/step, 1.85023 hours remaining, 113.050781 MB of memory in use. ENERGY: 804400 630.0049 1883.3366 1952.1403 96.3175 1.2457 -1084.0016 0.0000 0.0000 2728.0858 6207.1291 301.3247 3479.0433 6244.8403 299.1932 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: 3261.89, 0.00391905/step Wall: 3261.89, 0.00391905/step, 1.84566 hours remaining, 113.050781 MB of memory in use. ENERGY: 804600 679.7520 1853.7361 1950.5420 111.0133 3.3136 -1109.5150 0.0000 0.0000 2725.3120 6214.1540 301.0183 3488.8420 6247.5464 299.6008 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: 3262.68, 0.00392558/step Wall: 3262.68, 0.00392558/step, 1.84851 hours remaining, 113.050781 MB of memory in use. ENERGY: 804800 616.0652 1834.5808 1966.5325 108.6366 2.0596 -1094.3001 0.0000 0.0000 2730.0054 6163.5799 301.5367 3433.5746 6198.2536 299.8500 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: 3263.46, 0.00392468/step Wall: 3263.46, 0.00392468/step, 1.84787 hours remaining, 113.050781 MB of memory in use. ENERGY: 805000 651.3617 1861.4744 1911.3873 107.8812 3.9034 -1077.3181 0.0000 0.0000 2712.4582 6171.1481 299.5986 3458.6899 6205.0030 297.7495 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: 3264.25, 0.00392376/step Wall: 3264.25, 0.00392376/step, 1.84722 hours remaining, 113.050781 MB of memory in use. ENERGY: 805200 645.7352 1832.5906 1931.8200 112.5938 2.9036 -1100.3291 0.0000 0.0000 2696.4422 6121.7563 297.8296 3425.3141 6156.5518 297.6182 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: 3265.03, 0.0039189/step Wall: 3265.03, 0.0039189/step, 1.84471 hours remaining, 113.050781 MB of memory in use. ENERGY: 805400 654.1850 1835.5266 1950.9676 99.4376 1.9738 -1114.7215 0.0000 0.0000 2716.3232 6143.6923 300.0255 3427.3691 6176.8541 296.3383 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: 3265.82, 0.00392318/step Wall: 3265.82, 0.00392318/step, 1.84651 hours remaining, 113.050781 MB of memory in use. ENERGY: 805600 681.2307 1824.3339 1944.9049 114.1835 1.5072 -1088.9525 0.0000 0.0000 2700.9957 6178.2034 298.3325 3477.2077 6210.4170 299.2098 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: 3266.6, 0.00392295/step Wall: 3266.6, 0.00392295/step, 1.84618 hours remaining, 113.050781 MB of memory in use. ENERGY: 805800 642.3617 1880.5093 1955.6438 108.4848 0.7212 -1121.8093 0.0000 0.0000 2747.3825 6213.2940 303.4560 3465.9115 6246.1879 299.9763 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: 3267.38, 0.00392353/step Wall: 3267.38, 0.00392353/step, 1.84624 hours remaining, 113.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 806000 671.5458 1871.3021 1941.4012 111.6769 1.3604 -1106.0333 0.0000 0.0000 2714.8536 6206.1067 299.8631 3491.2531 6238.4665 301.0219 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: 3268.17, 0.00392189/step Wall: 3268.17, 0.00392189/step, 1.84525 hours remaining, 113.050781 MB of memory in use. ENERGY: 806200 688.1862 1864.1540 1981.1846 115.7892 1.9267 -1089.9456 0.0000 0.0000 2723.5676 6284.8627 300.8256 3561.2951 6316.2517 303.0411 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: 3268.95, 0.0039186/step Wall: 3268.95, 0.0039186/step, 1.84348 hours remaining, 113.058594 MB of memory in use. ENERGY: 806400 669.4635 1852.5641 1957.1897 100.9155 1.3813 -1049.3643 0.0000 0.0000 2747.3816 6279.5315 303.4559 3532.1499 6313.1170 305.2380 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: 3269.74, 0.00392341/step Wall: 3269.74, 0.00392341/step, 1.84553 hours remaining, 113.058594 MB of memory in use. ENERGY: 806600 662.3119 1855.2913 1931.3792 104.6268 2.5699 -1060.7744 0.0000 0.0000 2774.3205 6269.7251 306.4314 3495.4047 6303.7200 304.4905 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: 3270.52, 0.00392512/step Wall: 3270.52, 0.00392512/step, 1.84612 hours remaining, 113.058594 MB of memory in use. ENERGY: 806800 633.3025 1849.2423 1994.4552 98.4911 3.0868 -1085.9857 0.0000 0.0000 2760.1053 6252.6976 304.8613 3492.5923 6290.5059 304.6531 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: 3271.31, 0.00392163/step Wall: 3271.31, 0.00392163/step, 1.84425 hours remaining, 113.058594 MB of memory in use. ENERGY: 807000 654.0013 1912.6057 2021.3765 126.7096 1.4621 -1085.5742 0.0000 0.0000 2639.3224 6269.9033 291.5205 3630.5809 6300.2167 302.7692 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: 3272.09, 0.00391683/step Wall: 3272.09, 0.00391683/step, 1.84178 hours remaining, 113.058594 MB of memory in use. ENERGY: 807200 656.5056 1851.4973 1964.0332 104.8011 2.1248 -1087.5932 0.0000 0.0000 2806.7789 6298.1477 310.0166 3491.3688 6330.7568 302.5576 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: 3272.87, 0.00392278/step Wall: 3272.87, 0.00392278/step, 1.84436 hours remaining, 113.058594 MB of memory in use. ENERGY: 807400 673.9463 1890.9022 1977.5878 110.7736 2.7250 -1064.2571 0.0000 0.0000 2682.0851 6273.7629 296.2438 3591.6777 6307.6097 304.6234 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: 3273.66, 0.00392353/step Wall: 3273.66, 0.00392352/step, 1.84449 hours remaining, 113.062500 MB of memory in use. ENERGY: 807600 661.0286 1909.4569 1917.2133 115.7782 3.5603 -1071.5548 0.0000 0.0000 2748.9452 6284.4278 303.6287 3535.4826 6318.3460 305.2683 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: 3274.44, 0.00392303/step Wall: 3274.44, 0.00392304/step, 1.84404 hours remaining, 113.074219 MB of memory in use. ENERGY: 807800 678.4112 1920.8325 1945.4029 111.2740 4.0660 -1062.4807 0.0000 0.0000 2670.7607 6268.2666 294.9930 3597.5058 6298.3596 304.4012 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: 3275.23, 0.00392293/step Wall: 3275.23, 0.00392293/step, 1.84378 hours remaining, 113.074219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 808000 623.0155 1902.4848 1954.5292 106.2903 2.9863 -1086.7451 0.0000 0.0000 2741.1656 6243.7265 302.7694 3502.5609 6276.9902 302.5189 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: 3276.01, 0.00391714/step Wall: 3276.01, 0.00391714/step, 1.84084 hours remaining, 113.074219 MB of memory in use. ENERGY: 808200 668.0588 1835.3810 1905.4727 109.8272 2.0658 -1058.1673 0.0000 0.0000 2766.0078 6228.6460 305.5133 3462.6382 6263.5773 301.8537 LDB: ============= START OF LOAD BALANCING ============== 3278.71 LDB: ============== END OF LOAD BALANCING =============== 3278.71 LDB: =============== DONE WITH MIGRATION ================ 3278.71 LDB: ============= START OF LOAD BALANCING ============== 3279.11 LDB: ============== END OF LOAD BALANCING =============== 3279.11 LDB: =============== DONE WITH MIGRATION ================ 3279.11 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: 3276.8, 0.00392798/step Wall: 3276.8, 0.00392799/step, 1.84572 hours remaining, 113.074219 MB of memory in use. ENERGY: 808400 654.4175 1845.2570 1940.3526 108.2576 2.5467 -1075.6889 0.0000 0.0000 2738.5260 6213.6685 302.4778 3475.1425 6251.3167 300.6866 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: 3277.59, 0.00394073/step Wall: 3277.59, 0.00394073/step, 1.85149 hours remaining, 113.082031 MB of memory in use. ENERGY: 808600 633.6860 1892.0502 1963.3053 108.6410 1.1948 -1107.4678 0.0000 0.0000 2733.4288 6224.8383 301.9148 3491.4095 6258.0053 300.1225 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: 3278.37, 0.00392498/step Wall: 3278.37, 0.00392498/step, 1.84387 hours remaining, 113.082031 MB of memory in use. ENERGY: 808800 600.1264 1859.8738 1949.6562 111.1136 2.7507 -1078.3367 0.0000 0.0000 2696.1453 6141.3294 297.7968 3445.1841 6175.8606 299.4265 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: 3279.15, 0.00391846/step Wall: 3279.15, 0.00391846/step, 1.84059 hours remaining, 113.082031 MB of memory in use. ENERGY: 809000 623.7878 1844.6797 1944.4851 106.3756 2.8690 -1107.2034 0.0000 0.0000 2651.7921 6066.7859 292.8978 3414.9939 6100.7066 296.2411 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: 3279.94, 0.00392367/step Wall: 3279.94, 0.00392367/step, 1.84282 hours remaining, 113.082031 MB of memory in use. ENERGY: 809200 646.9482 1820.3202 1953.3149 114.9362 1.2285 -1102.7212 0.0000 0.0000 2693.3110 6127.3378 297.4837 3434.0268 6163.4626 295.2981 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: 3280.72, 0.00392551/step Wall: 3280.72, 0.00392551/step, 1.84346 hours remaining, 113.082031 MB of memory in use. ENERGY: 809400 642.1153 1812.2650 1968.1993 100.4135 2.0499 -1108.5602 0.0000 0.0000 2690.3134 6106.7961 297.1526 3416.4827 6139.5070 295.2775 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: 3281.51, 0.00392369/step Wall: 3281.51, 0.00392369/step, 1.84239 hours remaining, 113.082031 MB of memory in use. ENERGY: 809600 650.8723 1897.3781 1972.5173 106.5805 0.8756 -1118.9215 0.0000 0.0000 2670.6832 6179.9857 294.9844 3509.3025 6210.9439 296.7169 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: 3282.29, 0.00391751/step Wall: 3282.29, 0.00391751/step, 1.83927 hours remaining, 113.082031 MB of memory in use. ENERGY: 809800 665.8600 1822.5686 1932.1264 105.5843 1.2105 -1105.8709 0.0000 0.0000 2789.7551 6211.2341 308.1362 3421.4790 6249.3811 299.7307 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: 3283.08, 0.00392392/step Wall: 3283.08, 0.00392392/step, 1.84206 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 810000 646.5043 1853.4232 1932.4121 101.2013 1.0754 -1069.6222 0.0000 0.0000 2683.4919 6148.4860 296.3991 3464.9941 6178.3206 298.6626 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 810000 WRITING COORDINATES TO DCD FILE MD.1.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: 3283.95, 0.00438065/step Wall: 3283.95, 0.00438065/step, 2.05623 hours remaining, 113.082031 MB of memory in use. ENERGY: 810200 672.3862 1885.8629 1934.9685 97.8500 0.7069 -1124.9976 0.0000 0.0000 2678.7464 6145.5233 295.8750 3466.7769 6178.7298 297.8783 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: 3284.74, 0.00392354/step Wall: 3284.74, 0.00392354/step, 1.84145 hours remaining, 113.082031 MB of memory in use. ENERGY: 810400 604.8901 1861.2982 1960.5589 112.9882 2.1013 -1080.0565 0.0000 0.0000 2721.2787 6183.0589 300.5728 3461.7802 6215.7663 296.7959 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: 3285.52, 0.00392262/step Wall: 3285.52, 0.00392262/step, 1.8408 hours remaining, 113.082031 MB of memory in use. ENERGY: 810600 647.2663 1877.7713 1954.8912 103.8096 1.7789 -1096.5104 0.0000 0.0000 2692.9532 6181.9602 297.4442 3489.0070 6214.4936 299.9081 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: 3286.31, 0.00391953/step Wall: 3286.31, 0.00391953/step, 1.83913 hours remaining, 113.082031 MB of memory in use. ENERGY: 810800 655.5957 1858.9910 1970.4222 101.5233 1.8620 -1107.2950 0.0000 0.0000 2720.1361 6201.2353 300.4466 3481.0992 6233.3346 298.4843 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: 3287.09, 0.00392201/step Wall: 3287.09, 0.00392201/step, 1.84007 hours remaining, 113.082031 MB of memory in use. ENERGY: 811000 646.6879 1848.9464 1974.3456 100.7866 2.0437 -1102.3839 0.0000 0.0000 2776.2960 6246.7223 306.6496 3470.4263 6283.8518 301.4307 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: 3287.88, 0.00392234/step Wall: 3287.88, 0.00392234/step, 1.84002 hours remaining, 113.082031 MB of memory in use. ENERGY: 811200 687.7527 1837.9810 1973.7723 102.3849 2.1004 -1070.4468 0.0000 0.0000 2686.5085 6220.0530 296.7323 3533.5445 6252.0484 300.4158 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: 3288.66, 0.00392521/step Wall: 3288.66, 0.00392521/step, 1.84114 hours remaining, 113.082031 MB of memory in use. ENERGY: 811400 654.5333 1887.4801 1975.4375 101.7978 4.1898 -1085.2276 0.0000 0.0000 2682.2248 6220.4356 296.2592 3538.2108 6251.3805 299.5090 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: 3289.44, 0.00392255/step Wall: 3289.44, 0.00392255/step, 1.83968 hours remaining, 113.082031 MB of memory in use. ENERGY: 811600 661.4668 1835.3394 1939.8745 113.2072 2.3131 -1095.2421 0.0000 0.0000 2755.8287 6212.7875 304.3890 3456.9589 6244.7678 299.5434 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: 3290.23, 0.00391692/step Wall: 3290.23, 0.00391692/step, 1.83682 hours remaining, 113.082031 MB of memory in use. ENERGY: 811800 700.7225 1811.9600 1966.9746 102.1623 1.8038 -1114.6628 0.0000 0.0000 2725.9641 6194.9245 301.0903 3468.9603 6228.4541 299.4988 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: 3291.01, 0.00392424/step Wall: 3291.01, 0.00392424/step, 1.84003 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 812000 723.6593 1879.8608 1937.5153 112.1417 -0.5118 -1136.7801 0.0000 0.0000 2715.9122 6231.7974 299.9801 3515.8851 6263.7210 299.0774 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: 3291.8, 0.00392254/step Wall: 3291.8, 0.00392254/step, 1.83902 hours remaining, 113.082031 MB of memory in use. ENERGY: 812200 660.8788 1834.4602 1952.4111 101.8139 2.3007 -1078.4426 0.0000 0.0000 2763.2087 6236.6308 305.2041 3473.4221 6270.8420 302.1718 LDB: ============= START OF LOAD BALANCING ============== 3294.5 LDB: ============== END OF LOAD BALANCING =============== 3294.5 LDB: =============== DONE WITH MIGRATION ================ 3294.5 LDB: ============= START OF LOAD BALANCING ============== 3294.89 LDB: ============== END OF LOAD BALANCING =============== 3294.89 LDB: =============== DONE WITH MIGRATION ================ 3294.89 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: 3292.58, 0.00392869/step Wall: 3292.58, 0.00392869/step, 1.84168 hours remaining, 113.082031 MB of memory in use. ENERGY: 812400 686.8104 1882.3908 1943.8381 107.7416 1.6524 -1093.5820 0.0000 0.0000 2703.8327 6232.6840 298.6458 3528.8513 6265.0993 302.3132 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: 3293.37, 0.0039225/step Wall: 3293.37, 0.0039225/step, 1.83856 hours remaining, 113.082031 MB of memory in use. ENERGY: 812600 677.5603 1881.7798 1913.9713 106.6653 2.3294 -1102.4690 0.0000 0.0000 2766.7341 6246.5712 305.5935 3479.8371 6283.4422 301.4641 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: 3294.15, 0.0039176/step Wall: 3294.15, 0.0039176/step, 1.83605 hours remaining, 113.082031 MB of memory in use. ENERGY: 812800 657.7261 1860.6747 1934.4373 110.5257 2.1631 -1087.9243 0.0000 0.0000 2761.5284 6239.1309 305.0185 3477.6025 6269.8151 300.7568 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: 3294.94, 0.0039257/step Wall: 3294.94, 0.0039257/step, 1.83963 hours remaining, 113.082031 MB of memory in use. ENERGY: 813000 659.3556 1867.0909 1954.9892 100.4383 3.4444 -1079.4368 0.0000 0.0000 2696.0719 6201.9536 297.7886 3505.8817 6235.1895 302.0435 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: 3295.72, 0.00392457/step Wall: 3295.72, 0.00392457/step, 1.83888 hours remaining, 113.082031 MB of memory in use. ENERGY: 813200 671.3456 1863.9159 1957.7924 109.0702 1.6304 -1083.1399 0.0000 0.0000 2716.8705 6237.4852 300.0859 3520.6147 6271.7230 302.4633 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: 3296.51, 0.00392479/step Wall: 3296.51, 0.00392479/step, 1.83876 hours remaining, 113.082031 MB of memory in use. ENERGY: 813400 678.8642 1839.2681 1950.1044 99.4621 1.6326 -1072.4079 0.0000 0.0000 2721.1478 6218.0713 300.5584 3496.9235 6251.1946 302.4928 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: 3297.29, 0.00391745/step Wall: 3297.29, 0.00391745/step, 1.83511 hours remaining, 113.082031 MB of memory in use. ENERGY: 813600 647.8766 1846.4033 1940.7401 98.6835 2.5353 -1078.3224 0.0000 0.0000 2755.7301 6213.6466 304.3781 3457.9165 6249.2595 300.6833 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: 3298.07, 0.00392427/step Wall: 3298.07, 0.00392427/step, 1.83808 hours remaining, 113.082031 MB of memory in use. ENERGY: 813800 655.1345 1869.9443 1959.9151 108.7795 1.3091 -1050.1612 0.0000 0.0000 2709.2641 6254.1854 299.2458 3544.9213 6286.8274 304.1480 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: 3298.86, 0.00392553/step Wall: 3298.86, 0.00392553/step, 1.83846 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 814000 646.9162 1881.9668 1997.7287 109.3713 2.5206 -1049.1736 0.0000 0.0000 2658.4826 6247.8126 293.6368 3589.3300 6280.0612 302.4219 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: 3299.64, 0.0039234/step Wall: 3299.64, 0.0039234/step, 1.83724 hours remaining, 113.082031 MB of memory in use. ENERGY: 814200 652.6504 1867.9756 1934.5757 110.5936 2.2314 -1092.6777 0.0000 0.0000 2762.6713 6238.0203 305.1447 3475.3491 6274.3970 301.5257 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: 3300.43, 0.00392359/step Wall: 3300.43, 0.00392359/step, 1.83711 hours remaining, 113.082031 MB of memory in use. ENERGY: 814400 660.9910 1870.9165 1941.0627 112.4153 1.4377 -1067.2930 0.0000 0.0000 2672.4301 6191.9602 295.1774 3519.5301 6219.3231 301.1624 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: 3301.25, 0.00409441/step Wall: 3301.25, 0.00409441/step, 1.91687 hours remaining, 113.082031 MB of memory in use. ENERGY: 814600 636.8963 1852.2333 1951.8435 102.2549 0.5497 -1070.2750 0.0000 0.0000 2655.2140 6128.7168 293.2758 3473.5027 6159.2968 296.4991 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: 3302.04, 0.00396842/step Wall: 3302.04, 0.00396842/step, 1.85766 hours remaining, 113.082031 MB of memory in use. ENERGY: 814800 668.4468 1825.5188 1909.0101 112.2722 0.4346 -1121.4052 0.0000 0.0000 2693.6745 6087.9520 297.5239 3394.2774 6122.9339 296.0042 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: 3302.83, 0.00391838/step Wall: 3302.83, 0.00391838/step, 1.83402 hours remaining, 113.082031 MB of memory in use. ENERGY: 815000 629.2232 1854.8616 1930.0983 105.0648 0.4038 -1087.0905 0.0000 0.0000 2658.1634 6090.7245 293.6015 3432.5611 6121.8990 293.6577 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: 3303.61, 0.00391731/step Wall: 3303.61, 0.00391731/step, 1.8333 hours remaining, 113.082031 MB of memory in use. ENERGY: 815200 630.2748 1876.5823 1953.7141 98.6491 2.4280 -1075.7702 0.0000 0.0000 2648.4656 6134.3436 292.5304 3485.8781 6167.3808 293.9757 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: 3304.39, 0.0039186/step Wall: 3304.39, 0.0039186/step, 1.83369 hours remaining, 113.082031 MB of memory in use. ENERGY: 815400 644.0384 1880.2953 1951.9066 112.4113 1.4039 -1077.2082 0.0000 0.0000 2654.6620 6167.5093 293.2148 3512.8473 6199.6955 297.7187 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: 3305.18, 0.00391651/step Wall: 3305.18, 0.00391651/step, 1.83249 hours remaining, 113.082031 MB of memory in use. ENERGY: 815600 644.6265 1856.8257 1962.0303 108.8751 1.8312 -1096.3330 0.0000 0.0000 2681.0322 6158.8881 296.1275 3477.8559 6192.0707 298.2926 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: 3305.96, 0.00391891/step Wall: 3305.96, 0.00391891/step, 1.8334 hours remaining, 113.082031 MB of memory in use. ENERGY: 815800 688.6293 1807.1390 1995.6294 119.5521 2.5042 -1112.1858 0.0000 0.0000 2666.8102 6168.0784 294.5566 3501.2682 6199.2559 298.9703 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: 3306.75, 0.00393499/step Wall: 3306.75, 0.00393499/step, 1.8407 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 816000 630.6665 1816.6428 1939.7119 110.1013 3.2326 -1060.7825 0.0000 0.0000 2642.8207 6082.3933 291.9069 3439.5726 6112.9161 295.9564 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: 3307.53, 0.00392003/step Wall: 3307.53, 0.00392003/step, 1.83348 hours remaining, 113.082031 MB of memory in use. ENERGY: 816200 605.0789 1921.4680 1932.7521 109.4223 4.0232 -1082.9879 0.0000 0.0000 2665.8334 6155.5900 294.4487 3489.7566 6186.1507 297.0162 LDB: ============= START OF LOAD BALANCING ============== 3310.23 LDB: ============== END OF LOAD BALANCING =============== 3310.23 LDB: =============== DONE WITH MIGRATION ================ 3310.23 LDB: ============= START OF LOAD BALANCING ============== 3310.62 LDB: ============== END OF LOAD BALANCING =============== 3310.62 LDB: =============== DONE WITH MIGRATION ================ 3310.62 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: 3308.32, 0.00392488/step Wall: 3308.32, 0.00392488/step, 1.83554 hours remaining, 113.082031 MB of memory in use. ENERGY: 816400 669.8998 1852.2614 1922.3694 105.9456 2.0126 -1098.7834 0.0000 0.0000 2651.2797 6104.9851 292.8412 3453.7054 6138.4364 296.7824 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: 3309.1, 0.0039188/step Wall: 3309.1, 0.0039188/step, 1.83247 hours remaining, 113.082031 MB of memory in use. ENERGY: 816600 657.9278 1813.1773 1946.0719 112.0006 2.9592 -1107.1074 0.0000 0.0000 2675.5483 6100.5776 295.5218 3425.0293 6134.9076 295.8400 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: 3309.88, 0.00392087/step Wall: 3309.88, 0.00392087/step, 1.83322 hours remaining, 113.082031 MB of memory in use. ENERGY: 816800 667.3702 1892.3792 1967.3862 108.4831 3.1323 -1074.4891 0.0000 0.0000 2631.6563 6195.9182 290.6738 3564.2619 6229.7927 297.3520 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: 3310.67, 0.0039176/step Wall: 3310.67, 0.0039176/step, 1.83148 hours remaining, 113.082031 MB of memory in use. ENERGY: 817000 640.6451 1840.4406 1938.4559 103.9346 2.8129 -1045.2987 0.0000 0.0000 2699.0130 6180.0034 298.1135 3480.9905 6210.8228 298.8835 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: 3311.45, 0.00391879/step Wall: 3311.45, 0.00391879/step, 1.83182 hours remaining, 113.082031 MB of memory in use. ENERGY: 817200 668.4817 1828.7207 1947.0641 100.7198 2.6200 -1090.5943 0.0000 0.0000 2681.6117 6138.6237 296.1915 3457.0121 6171.3077 299.2266 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: 3312.23, 0.00391726/step Wall: 3312.23, 0.00391726/step, 1.83088 hours remaining, 113.082031 MB of memory in use. ENERGY: 817400 681.1043 1862.7706 1945.6919 98.5728 3.6662 -1103.5026 0.0000 0.0000 2680.2694 6168.5726 296.0432 3488.3032 6198.5138 297.7158 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: 3313.02, 0.00391708/step Wall: 3313.02, 0.00391708/step, 1.83058 hours remaining, 113.082031 MB of memory in use. ENERGY: 817600 636.3164 1845.0076 1949.3366 118.3065 2.2359 -1091.1969 0.0000 0.0000 2657.8214 6117.8275 293.5638 3460.0061 6149.9167 296.0671 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: 3313.8, 0.00391809/step Wall: 3313.8, 0.00391809/step, 1.83084 hours remaining, 113.082031 MB of memory in use. ENERGY: 817800 634.4478 1841.8225 1967.3908 94.5787 4.0179 -1066.9675 0.0000 0.0000 2668.3169 6143.6070 294.7230 3475.2901 6175.2549 296.3102 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: 3314.59, 0.00391766/step Wall: 3314.59, 0.00391766/step, 1.83042 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 818000 628.3597 1859.9227 1932.2654 95.7484 3.7362 -1087.0136 0.0000 0.0000 2707.2402 6140.2589 299.0222 3433.0187 6172.8660 298.2806 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: 3315.37, 0.00391649/step Wall: 3315.37, 0.00391649/step, 1.82965 hours remaining, 113.082031 MB of memory in use. ENERGY: 818200 634.1417 1853.5263 1965.0070 106.7107 3.1235 -1110.4316 0.0000 0.0000 2702.2251 6154.3027 298.4683 3452.0776 6186.0255 297.7536 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: 3316.15, 0.00391769/step Wall: 3316.15, 0.00391768/step, 1.82999 hours remaining, 113.082031 MB of memory in use. ENERGY: 818400 664.6544 1858.2338 1966.5716 103.8702 5.2064 -1096.6418 0.0000 0.0000 2674.7780 6176.6726 295.4367 3501.8946 6207.0474 298.8399 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: 3316.94, 0.00391927/step Wall: 3316.94, 0.00391927/step, 1.83052 hours remaining, 113.082031 MB of memory in use. ENERGY: 818600 664.7164 1831.6024 1979.8971 100.4728 3.8984 -1069.7889 0.0000 0.0000 2637.6820 6148.4803 291.3393 3510.7982 6179.0779 296.5856 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: 3317.72, 0.00392041/step Wall: 3317.72, 0.00392041/step, 1.83083 hours remaining, 113.082031 MB of memory in use. ENERGY: 818800 616.7739 1833.1420 1945.7222 110.2993 3.9352 -1055.4666 0.0000 0.0000 2672.7057 6127.1117 295.2078 3454.4060 6156.6521 295.4994 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: 3318.5, 0.00391957/step Wall: 3318.5, 0.00391957/step, 1.83022 hours remaining, 113.082031 MB of memory in use. ENERGY: 819000 670.3706 1794.5158 1933.0999 106.8228 3.2260 -1059.3712 0.0000 0.0000 2672.7944 6121.4583 295.2176 3448.6639 6151.8361 295.4971 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: 3319.29, 0.003937/step Wall: 3319.29, 0.003937/step, 1.83814 hours remaining, 113.082031 MB of memory in use. ENERGY: 819200 658.8592 1821.2531 1976.7126 106.0141 2.7774 -1082.8072 0.0000 0.0000 2662.0657 6144.8751 294.0326 3482.8093 6177.4137 295.7438 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: 3320.08, 0.0039204/step Wall: 3320.08, 0.0039204/step, 1.83018 hours remaining, 113.082031 MB of memory in use. ENERGY: 819400 686.0005 1825.5910 1971.2549 117.0091 3.5884 -1111.6169 0.0000 0.0000 2670.3692 6162.1964 294.9497 3491.8272 6193.1517 297.7922 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: 3320.86, 0.00391922/step Wall: 3320.86, 0.00391922/step, 1.8294 hours remaining, 113.082031 MB of memory in use. ENERGY: 819600 655.3116 1824.9567 1961.5923 102.2918 3.5270 -1094.7698 0.0000 0.0000 2703.0476 6155.9573 298.5591 3452.9097 6188.1970 297.9367 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: 3321.64, 0.0039176/step Wall: 3321.64, 0.0039176/step, 1.82843 hours remaining, 113.082031 MB of memory in use. ENERGY: 819800 667.0609 1849.6435 1966.5247 111.8699 3.2711 -1094.3030 0.0000 0.0000 2658.2495 6162.3166 293.6111 3504.0672 6196.0179 296.5730 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: 3322.43, 0.00391986/step Wall: 3322.43, 0.00391986/step, 1.82927 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 820000 622.0717 1808.3984 1966.5014 110.3906 4.8609 -1063.5841 0.0000 0.0000 2713.2225 6161.8614 299.6830 3448.6389 6193.2942 296.8339 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 820000 WRITING COORDINATES TO DCD FILE MD.1.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: 3323.29, 0.00432548/step Wall: 3323.29, 0.00432548/step, 2.01832 hours remaining, 113.082031 MB of memory in use. ENERGY: 820200 630.5262 1842.6091 1993.7990 113.0603 3.7851 -1094.6052 0.0000 0.0000 2719.0028 6208.1774 300.3214 3489.1747 6241.0822 299.2038 LDB: ============= START OF LOAD BALANCING ============== 3325.99 LDB: ============== END OF LOAD BALANCING =============== 3325.99 LDB: =============== DONE WITH MIGRATION ================ 3325.99 LDB: ============= START OF LOAD BALANCING ============== 3326.39 LDB: ============== END OF LOAD BALANCING =============== 3326.39 LDB: =============== DONE WITH MIGRATION ================ 3326.39 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: 3324.08, 0.00393786/step Wall: 3324.08, 0.00393786/step, 1.83723 hours remaining, 113.082031 MB of memory in use. ENERGY: 820400 687.3030 1881.0545 1939.5104 98.2253 2.1611 -1081.8356 0.0000 0.0000 2705.3304 6231.7491 298.8113 3526.4187 6262.5385 301.5969 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: 3324.86, 0.00391821/step Wall: 3324.86, 0.00391821/step, 1.82784 hours remaining, 113.082031 MB of memory in use. ENERGY: 820600 610.3595 1845.0668 1977.6583 102.6673 2.5039 -1024.3955 0.0000 0.0000 2745.4195 6259.2798 303.2392 3513.8603 6288.7458 300.2749 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: 3325.65, 0.00392022/step Wall: 3325.65, 0.00392022/step, 1.82856 hours remaining, 113.082031 MB of memory in use. ENERGY: 820800 671.1487 1808.5354 1964.1127 105.4600 2.3944 -1069.3461 0.0000 0.0000 2703.1840 6185.4890 298.5742 3482.3051 6219.6607 298.7329 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: 3326.43, 0.00392221/step Wall: 3326.43, 0.00392221/step, 1.82928 hours remaining, 113.082031 MB of memory in use. ENERGY: 821000 653.2160 1843.1682 1955.6675 112.0878 0.8929 -1069.2776 0.0000 0.0000 2733.3873 6229.1421 301.9102 3495.7548 6261.8580 298.5038 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: 3327.22, 0.00392141/step Wall: 3327.22, 0.00392141/step, 1.82869 hours remaining, 113.082031 MB of memory in use. ENERGY: 821200 651.2263 1805.0881 1982.2173 126.1700 3.0178 -1052.4187 0.0000 0.0000 2706.7052 6222.0060 298.9631 3515.3008 6257.5978 298.3060 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: 3328, 0.00392007/step Wall: 3328, 0.00392007/step, 1.82784 hours remaining, 113.082031 MB of memory in use. ENERGY: 821400 641.2354 1818.0109 1983.4635 106.3309 2.4770 -1067.2441 0.0000 0.0000 2703.2429 6187.5166 298.5807 3484.2738 6220.3989 298.6308 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: 3328.78, 0.00391986/step Wall: 3328.78, 0.00391986/step, 1.82752 hours remaining, 113.082031 MB of memory in use. ENERGY: 821600 693.4361 1827.5165 1990.0807 118.4275 1.9581 -1054.9949 0.0000 0.0000 2638.1034 6214.5274 291.3859 3576.4240 6247.4324 296.6992 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: 3329.57, 0.00392067/step Wall: 3329.57, 0.00392067/step, 1.82769 hours remaining, 113.082031 MB of memory in use. ENERGY: 821800 683.8498 1820.6678 1965.4500 98.4917 2.0253 -1078.4938 0.0000 0.0000 2684.2827 6176.2735 296.4865 3491.9908 6206.5203 298.4499 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: 3330.35, 0.00392195/step Wall: 3330.35, 0.00392195/step, 1.82807 hours remaining, 113.082031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 822000 682.7308 1848.1364 1960.2450 102.3591 4.0106 -1081.4491 0.0000 0.0000 2674.1910 6190.2238 295.3718 3516.0328 6220.7570 299.4838 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: 3331.14, 0.00392155/step Wall: 3331.14, 0.00392155/step, 1.82766 hours remaining, 113.082031 MB of memory in use. ENERGY: 822200 639.1255 1870.2626 1977.8882 98.7689 3.3860 -1088.4469 0.0000 0.0000 2708.8101 6209.7945 299.1956 3500.9844 6240.3004 301.3779 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: 3331.92, 0.00391672/step Wall: 3331.92, 0.00391672/step, 1.82519 hours remaining, 113.082031 MB of memory in use. ENERGY: 822400 674.7669 1851.9856 1956.5297 110.9826 2.7668 -1100.1090 0.0000 0.0000 2707.7528 6204.6755 299.0788 3496.9227 6237.9524 300.8927 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: 3332.7, 0.00392141/step Wall: 3332.7, 0.00392141/step, 1.82716 hours remaining, 113.082031 MB of memory in use. ENERGY: 822600 637.1137 1850.9540 1940.5949 103.3735 1.2748 -1098.1032 0.0000 0.0000 2788.3785 6223.5863 307.9842 3435.2078 6260.3837 299.8577 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: 3333.49, 0.00392179/step Wall: 3333.49, 0.00392179/step, 1.82712 hours remaining, 113.082031 MB of memory in use. ENERGY: 822800 667.6996 1865.2021 1942.6448 114.9046 1.6892 -1108.2972 0.0000 0.0000 2697.3808 6181.2238 297.9332 3483.8430 6211.2726 300.5930 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: 3334.27, 0.00392184/step Wall: 3334.27, 0.00392184/step, 1.82692 hours remaining, 113.085938 MB of memory in use. ENERGY: 823000 668.2965 1873.1002 1929.5671 100.1588 2.3401 -1085.1949 0.0000 0.0000 2694.5361 6182.8039 297.6190 3488.2677 6212.9714 298.6248 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: 3335.06, 0.00392172/step Wall: 3335.06, 0.00392172/step, 1.82665 hours remaining, 113.089844 MB of memory in use. ENERGY: 823200 709.3909 1872.9886 1939.9643 103.8860 2.3916 -1126.2637 0.0000 0.0000 2703.4634 6205.8210 298.6051 3502.3577 6239.0234 299.4642 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: 3335.84, 0.00391707/step Wall: 3335.84, 0.00391707/step, 1.82426 hours remaining, 113.089844 MB of memory in use. ENERGY: 823400 663.5213 1884.5854 1913.1478 106.6113 3.3695 -1074.9864 0.0000 0.0000 2709.1766 6205.4256 299.2361 3496.2490 6238.0763 299.8243 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: 3336.62, 0.0039212/step Wall: 3336.62, 0.0039212/step, 1.82597 hours remaining, 113.089844 MB of memory in use. ENERGY: 823600 672.6583 1846.2523 1936.8807 115.1739 3.0690 -1107.2361 0.0000 0.0000 2795.2260 6262.0241 308.7405 3466.7981 6298.5639 301.7162 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: 3337.41, 0.00392211/step Wall: 3337.41, 0.00392211/step, 1.82618 hours remaining, 113.089844 MB of memory in use. ENERGY: 823800 617.2223 1895.5416 1958.1449 120.7349 2.9012 -1120.6372 0.0000 0.0000 2746.8755 6220.7832 303.4001 3473.9077 6255.6613 302.6781 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: 3338.19, 0.00391991/step Wall: 3338.19, 0.00391991/step, 1.82494 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 698.0522 1872.3329 1952.9522 100.9711 1.8365 -1085.6301 0.0000 0.0000 2642.2657 6182.7805 291.8456 3540.5148 6212.9142 298.8365 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: 3338.98, 0.00391726/step Wall: 3338.98, 0.00391726/step, 1.82349 hours remaining, 113.089844 MB of memory in use. ENERGY: 824200 640.5106 1811.6702 1952.3392 110.9796 3.0688 -1068.2606 0.0000 0.0000 2707.6011 6157.9089 299.0621 3450.3078 6191.7192 298.1380 LDB: ============= START OF LOAD BALANCING ============== 3341.68 LDB: ============== END OF LOAD BALANCING =============== 3341.68 LDB: =============== DONE WITH MIGRATION ================ 3341.68 LDB: ============= START OF LOAD BALANCING ============== 3342.07 LDB: ============== END OF LOAD BALANCING =============== 3342.07 LDB: =============== DONE WITH MIGRATION ================ 3342.07 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: 3339.76, 0.00392401/step Wall: 3339.76, 0.00392401/step, 1.82641 hours remaining, 113.089844 MB of memory in use. ENERGY: 824400 644.3278 1884.6436 1937.1986 109.7290 3.5574 -1070.2391 0.0000 0.0000 2738.1827 6247.4000 302.4399 3509.2173 6277.7116 299.0575 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: 3340.55, 0.00392064/step Wall: 3340.55, 0.00392064/step, 1.82462 hours remaining, 113.089844 MB of memory in use. ENERGY: 824600 683.6167 1856.5596 1954.1031 124.6137 3.9185 -1122.2240 0.0000 0.0000 2720.0642 6220.6518 300.4387 3500.5876 6256.0943 301.9886 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: 3341.33, 0.00392073/step Wall: 3341.33, 0.00392073/step, 1.82444 hours remaining, 113.089844 MB of memory in use. ENERGY: 824800 661.8730 1843.9227 1956.7533 105.3100 1.6747 -1105.5471 0.0000 0.0000 2750.4152 6214.4019 303.7910 3463.9867 6248.4757 301.5724 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: 3342.11, 0.00392056/step Wall: 3342.11, 0.00392056/step, 1.82415 hours remaining, 113.089844 MB of memory in use. ENERGY: 825000 643.3629 1889.1184 1960.5762 114.0776 2.5681 -1094.3559 0.0000 0.0000 2626.1124 6141.4596 290.0614 3515.3473 6172.5872 299.0121 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: 3342.9, 0.00391769/step Wall: 3342.9, 0.00391769/step, 1.8226 hours remaining, 113.089844 MB of memory in use. ENERGY: 825200 659.1887 1847.3405 1952.6036 111.8034 2.4200 -1045.8067 0.0000 0.0000 2635.6166 6163.1660 291.1112 3527.5494 6197.8009 297.3578 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: 3343.68, 0.00392212/step Wall: 3343.68, 0.00392212/step, 1.82444 hours remaining, 113.089844 MB of memory in use. ENERGY: 825400 667.8044 1847.0152 1933.9457 97.8498 1.6497 -1081.5006 0.0000 0.0000 2690.5045 6157.2688 297.1737 3466.7643 6188.5390 298.1848 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: 3344.47, 0.00392073/step Wall: 3344.47, 0.00392073/step, 1.82357 hours remaining, 113.089844 MB of memory in use. ENERGY: 825600 641.0726 1836.6973 1924.2321 114.7285 2.0685 -1101.3741 0.0000 0.0000 2739.0552 6156.4801 302.5363 3417.4249 6189.3339 299.6954 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: 3345.25, 0.0039217/step Wall: 3345.25, 0.0039217/step, 1.82381 hours remaining, 113.089844 MB of memory in use. ENERGY: 825800 655.8407 1849.9998 1942.2716 107.5027 2.2611 -1082.1537 0.0000 0.0000 2714.0558 6189.7781 299.7750 3475.7222 6224.9823 299.8228 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: 3346.04, 0.00392482/step Wall: 3346.04, 0.00392482/step, 1.82504 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 656.2876 1912.3629 1939.7702 108.5027 1.2504 -1098.5295 0.0000 0.0000 2712.5064 6232.1506 299.6039 3519.6443 6267.2100 301.2051 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: 3346.82, 0.00391921/step Wall: 3346.82, 0.00391921/step, 1.82222 hours remaining, 113.089844 MB of memory in use. ENERGY: 826200 665.4399 1819.5552 1939.6660 106.6402 2.5232 -1123.1590 0.0000 0.0000 2692.2374 6102.9029 297.3651 3410.6655 6137.2298 298.2051 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: 3347.6, 0.00392364/step Wall: 3347.6, 0.00392364/step, 1.82405 hours remaining, 113.089844 MB of memory in use. ENERGY: 826400 640.7141 1852.4385 1923.9080 95.7879 0.8250 -1116.6692 0.0000 0.0000 2725.7427 6122.7470 301.0659 3397.0043 6156.9554 295.5696 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: 3348.39, 0.00392426/step Wall: 3348.39, 0.00392426/step, 1.82413 hours remaining, 113.089844 MB of memory in use. ENERGY: 826600 620.5664 1846.0425 1934.0639 103.3010 1.1512 -1061.8344 0.0000 0.0000 2700.3422 6143.6328 298.2603 3443.2906 6177.9584 299.5672 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: 3349.17, 0.00392174/step Wall: 3349.17, 0.00392174/step, 1.82274 hours remaining, 113.089844 MB of memory in use. ENERGY: 826800 661.2299 1811.7666 1945.1596 98.0751 1.0336 -1066.5936 0.0000 0.0000 2688.5084 6139.1796 296.9532 3450.6712 6170.8186 297.5255 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: 3349.96, 0.00391721/step Wall: 3349.96, 0.00391721/step, 1.82042 hours remaining, 113.089844 MB of memory in use. ENERGY: 827000 622.6763 1930.1871 1914.5949 110.6834 1.7061 -1121.7691 0.0000 0.0000 2725.2794 6183.3581 301.0147 3458.0787 6216.3885 297.9082 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: 3350.74, 0.00392167/step Wall: 3350.74, 0.00392167/step, 1.82227 hours remaining, 113.089844 MB of memory in use. ENERGY: 827200 649.2902 1867.8632 1929.4030 104.6470 2.4416 -1097.3683 0.0000 0.0000 2721.4666 6177.7434 300.5936 3456.2768 6214.0952 298.8086 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: 3351.52, 0.0039205/step Wall: 3351.52, 0.0039205/step, 1.82151 hours remaining, 113.089844 MB of memory in use. ENERGY: 827400 644.9353 1883.5160 1951.4824 110.6269 3.9539 -1095.5154 0.0000 0.0000 2674.2132 6173.2124 295.3743 3498.9991 6206.2508 299.1777 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: 3352.31, 0.00392148/step Wall: 3352.31, 0.00392148/step, 1.82175 hours remaining, 113.089844 MB of memory in use. ENERGY: 827600 624.8416 1871.1687 1930.4869 127.2675 2.4354 -1129.6157 0.0000 0.0000 2722.7583 6149.3427 300.7362 3426.5844 6182.4472 299.8657 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: 3353.09, 0.00392336/step Wall: 3353.09, 0.00392336/step, 1.8224 hours remaining, 113.089844 MB of memory in use. ENERGY: 827800 646.3333 1821.6906 1921.8525 118.9639 2.2226 -1108.8142 0.0000 0.0000 2746.1972 6148.4459 303.3251 3402.2488 6181.7925 298.7270 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: 3353.88, 0.00391664/step Wall: 3353.88, 0.00391664/step, 1.81906 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 649.9194 1850.0787 1952.8698 103.1024 3.0593 -1079.7809 0.0000 0.0000 2687.0359 6166.2845 296.7906 3479.2487 6198.1273 298.8043 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: 3354.66, 0.00392065/step Wall: 3354.66, 0.00392065/step, 1.8207 hours remaining, 113.089844 MB of memory in use. ENERGY: 828200 692.5875 1853.3865 1930.6332 113.5557 3.2586 -1091.8808 0.0000 0.0000 2733.4768 6235.0176 301.9201 3501.5408 6264.8010 300.1801 LDB: ============= START OF LOAD BALANCING ============== 3357.36 LDB: ============== END OF LOAD BALANCING =============== 3357.36 LDB: =============== DONE WITH MIGRATION ================ 3357.36 LDB: ============= START OF LOAD BALANCING ============== 3357.76 LDB: ============== END OF LOAD BALANCING =============== 3357.76 LDB: =============== DONE WITH MIGRATION ================ 3357.76 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: 3355.45, 0.00392768/step Wall: 3355.45, 0.00392769/step, 1.82376 hours remaining, 113.089844 MB of memory in use. ENERGY: 828400 682.9069 1830.1796 1913.5973 117.2568 3.1992 -1061.5011 0.0000 0.0000 2734.4691 6220.1077 302.0297 3485.6386 6252.7252 301.0832 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: 3356.23, 0.00392133/step Wall: 3356.23, 0.00392133/step, 1.82059 hours remaining, 113.089844 MB of memory in use. ENERGY: 828600 655.8663 1879.1514 1946.5525 100.4972 2.4418 -1117.2059 0.0000 0.0000 2696.7054 6164.0088 297.8586 3467.3034 6196.0084 299.4451 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: 3357.01, 0.00391697/step Wall: 3357.01, 0.00391697/step, 1.81834 hours remaining, 113.089844 MB of memory in use. ENERGY: 828800 667.5405 1859.9536 1952.0338 108.6939 3.7847 -1116.4172 0.0000 0.0000 2766.7702 6242.3595 305.5975 3475.5893 6275.6643 300.7522 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: 3357.8, 0.00393571/step Wall: 3357.8, 0.00393571/step, 1.82683 hours remaining, 113.089844 MB of memory in use. ENERGY: 829000 646.2778 1867.7666 1973.8471 108.2303 2.5176 -1122.6192 0.0000 0.0000 2734.7929 6210.8130 302.0655 3476.0201 6246.8313 303.6579 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: 3358.59, 0.0039223/step Wall: 3358.59, 0.0039223/step, 1.82038 hours remaining, 113.089844 MB of memory in use. ENERGY: 829200 639.1783 1850.4384 1954.5943 116.9702 1.9417 -1101.3799 0.0000 0.0000 2761.0011 6222.7443 304.9603 3461.7431 6256.9307 301.1692 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: 3359.37, 0.00392184/step Wall: 3359.37, 0.00392184/step, 1.81995 hours remaining, 113.089844 MB of memory in use. ENERGY: 829400 663.4708 1899.0090 1966.0129 105.7382 2.3475 -1087.2349 0.0000 0.0000 2700.7591 6250.1027 298.3064 3549.3436 6280.5387 301.9756 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: 3360.15, 0.00392139/step Wall: 3360.15, 0.00392138/step, 1.81952 hours remaining, 113.089844 MB of memory in use. ENERGY: 829600 645.5083 1852.2406 1948.1144 114.3682 2.8461 -1086.7219 0.0000 0.0000 2712.1982 6188.5539 299.5698 3476.3557 6220.3330 303.1117 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: 3360.94, 0.0039177/step Wall: 3360.94, 0.0039177/step, 1.8176 hours remaining, 113.089844 MB of memory in use. ENERGY: 829800 653.5336 1817.3059 1946.4377 104.4226 3.4935 -1062.8845 0.0000 0.0000 2729.0826 6191.3913 301.4348 3462.3087 6226.9619 299.8577 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: 3361.72, 0.00392216/step Wall: 3361.72, 0.00392216/step, 1.81945 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 638.9915 1882.1622 1992.4970 110.1423 3.5979 -1094.1313 0.0000 0.0000 2655.9655 6189.2251 293.3588 3533.2596 6221.2946 298.0368 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 830000 WRITING COORDINATES TO DCD FILE MD.1.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: 3363.72, 0.00997237/step Wall: 3363.72, 0.00997237/step, 4.62552 hours remaining, 113.089844 MB of memory in use. ENERGY: 830200 644.0826 1821.8206 1970.2627 98.5560 4.0090 -1093.2527 0.0000 0.0000 2781.6488 6227.1269 307.2409 3445.4782 6259.0370 300.8644 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: 3364.5, 0.00392236/step Wall: 3364.5, 0.00392236/step, 1.81911 hours remaining, 113.089844 MB of memory in use. ENERGY: 830400 696.8983 1845.8475 1960.6675 99.4723 3.4579 -1108.2839 0.0000 0.0000 2774.0541 6272.1137 306.4020 3498.0596 6306.6903 304.5394 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: 3365.29, 0.0039211/step Wall: 3365.29, 0.0039211/step, 1.8183 hours remaining, 113.089844 MB of memory in use. ENERGY: 830600 628.0274 1848.4497 1979.5119 98.1850 3.5282 -1070.2696 0.0000 0.0000 2807.1695 6294.6021 310.0597 3487.4326 6329.6830 304.2407 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: 3366.07, 0.00391909/step Wall: 3366.07, 0.00391909/step, 1.81715 hours remaining, 113.089844 MB of memory in use. ENERGY: 830800 680.5440 1863.0606 1969.5769 116.5410 2.0041 -1109.0436 0.0000 0.0000 2772.3513 6295.0343 306.2139 3522.6829 6327.2400 306.6223 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: 3366.86, 0.00393726/step Wall: 3366.86, 0.00393726/step, 1.82536 hours remaining, 113.089844 MB of memory in use. ENERGY: 831000 671.9943 1896.8699 1976.4217 101.9322 4.4693 -1099.8881 0.0000 0.0000 2779.2513 6331.0507 306.9760 3551.7994 6365.1445 307.0397 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: 3367.64, 0.00392357/step Wall: 3367.64, 0.00392357/step, 1.81879 hours remaining, 113.089844 MB of memory in use. ENERGY: 831200 649.8966 1925.8535 1906.2351 105.2116 4.6616 -1035.6432 0.0000 0.0000 2729.3615 6285.5767 301.4656 3556.2152 6319.1213 304.9466 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: 3368.43, 0.00392316/step Wall: 3368.43, 0.00392316/step, 1.81838 hours remaining, 113.089844 MB of memory in use. ENERGY: 831400 677.1290 1871.4025 1984.2766 109.3848 1.6880 -1088.0072 0.0000 0.0000 2770.5820 6326.4557 306.0185 3555.8738 6359.8883 304.3162 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: 3369.21, 0.00392022/step Wall: 3369.21, 0.00392022/step, 1.8168 hours remaining, 113.089844 MB of memory in use. ENERGY: 831600 665.8880 1897.9592 1937.4190 105.8389 2.3016 -1069.8965 0.0000 0.0000 2773.4941 6313.0042 306.3401 3539.5102 6346.5792 305.4216 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: 3369.99, 0.00391622/step Wall: 3369.99, 0.00391622/step, 1.81473 hours remaining, 113.089844 MB of memory in use. ENERGY: 831800 668.4507 1853.8581 1986.0961 101.9440 2.5973 -1042.6822 0.0000 0.0000 2706.4519 6276.7158 298.9351 3570.2640 6311.6753 303.9059 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: 3370.78, 0.00392154/step Wall: 3370.78, 0.00392154/step, 1.81698 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 684.5192 1865.1091 1982.4909 101.5692 2.8602 -1118.1263 0.0000 0.0000 2731.2249 6249.6472 301.6714 3518.4223 6281.6907 303.1958 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: 3371.56, 0.0039209/step Wall: 3371.56, 0.0039209/step, 1.81646 hours remaining, 113.089844 MB of memory in use. ENERGY: 832200 677.5429 1846.3565 1965.6336 106.7501 1.5635 -1085.5440 0.0000 0.0000 2709.1390 6221.4417 299.2319 3512.3027 6254.5408 301.1675 LDB: ============= START OF LOAD BALANCING ============== 3374.26 LDB: ============== END OF LOAD BALANCING =============== 3374.26 LDB: =============== DONE WITH MIGRATION ================ 3374.26 LDB: ============= START OF LOAD BALANCING ============== 3374.66 LDB: ============== END OF LOAD BALANCING =============== 3374.66 LDB: =============== DONE WITH MIGRATION ================ 3374.66 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: 3372.35, 0.00392312/step Wall: 3372.35, 0.00392312/step, 1.81728 hours remaining, 113.089844 MB of memory in use. ENERGY: 832400 649.4908 1855.2372 1963.0911 104.8699 3.5585 -1049.1088 0.0000 0.0000 2634.1689 6161.3076 290.9513 3527.1388 6190.3117 298.5088 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: 3373.13, 0.00391963/step Wall: 3373.13, 0.00391963/step, 1.81544 hours remaining, 113.089844 MB of memory in use. ENERGY: 832600 614.2027 1847.4944 1967.2596 115.8909 3.1832 -1082.8521 0.0000 0.0000 2685.9914 6151.1700 296.6752 3465.1787 6182.2386 295.6086 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: 3373.91, 0.00391656/step Wall: 3373.91, 0.00391656/step, 1.8138 hours remaining, 113.089844 MB of memory in use. ENERGY: 832800 642.0786 1910.1118 1959.9549 112.1838 2.8943 -1113.2200 0.0000 0.0000 2702.2923 6216.2958 298.4757 3514.0034 6248.9329 298.0367 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: 3374.7, 0.00391928/step Wall: 3374.7, 0.00391928/step, 1.81484 hours remaining, 113.089844 MB of memory in use. ENERGY: 833000 681.1162 1891.6803 1955.6262 92.2651 2.1509 -1086.7529 0.0000 0.0000 2732.5487 6268.6345 301.8176 3536.0858 6299.5894 302.3420 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: 3375.48, 0.00392074/step Wall: 3375.48, 0.00392074/step, 1.8153 hours remaining, 113.089844 MB of memory in use. ENERGY: 833200 671.6070 1878.1907 1955.9863 102.4038 2.5931 -1098.5126 0.0000 0.0000 2715.9114 6228.1798 299.9800 3512.2683 6260.1327 304.2377 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: 3376.27, 0.00392014/step Wall: 3376.27, 0.00392014/step, 1.8148 hours remaining, 113.089844 MB of memory in use. ENERGY: 833400 629.8184 1829.4523 1979.7434 104.5073 2.0802 -1049.5836 0.0000 0.0000 2733.0216 6229.0397 301.8698 3496.0181 6266.2367 301.1935 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: 3377.05, 0.00391693/step Wall: 3377.05, 0.00391693/step, 1.8131 hours remaining, 113.089844 MB of memory in use. ENERGY: 833600 664.0784 1837.6757 1940.0424 115.6145 1.3729 -1062.8859 0.0000 0.0000 2769.7167 6265.6146 305.9229 3495.8979 6300.1184 301.7070 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: 3377.83, 0.00392069/step Wall: 3377.83, 0.00392069/step, 1.81463 hours remaining, 113.089844 MB of memory in use. ENERGY: 833800 663.8044 1839.5159 1967.7804 109.5158 1.6880 -1088.0500 0.0000 0.0000 2755.4038 6249.6585 304.3420 3494.2546 6284.9057 304.2389 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: 3378.62, 0.00392367/step Wall: 3378.62, 0.00392367/step, 1.81579 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 644.7478 1845.7174 1943.3279 111.2372 2.2621 -1088.8732 0.0000 0.0000 2724.6774 6183.0966 300.9482 3458.4192 6214.9069 302.1489 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: 3379.4, 0.0039229/step Wall: 3379.4, 0.0039229/step, 1.81521 hours remaining, 113.089844 MB of memory in use. ENERGY: 834200 639.2746 1803.7684 1942.6026 97.8131 1.9622 -1053.5310 0.0000 0.0000 2715.5270 6147.4170 299.9375 3431.8900 6179.8252 298.0004 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: 3380.19, 0.00392017/step Wall: 3380.19, 0.00392017/step, 1.81373 hours remaining, 113.089844 MB of memory in use. ENERGY: 834400 689.0386 1895.2838 1961.8704 99.1468 1.2501 -1076.2415 0.0000 0.0000 2632.9060 6203.2542 290.8118 3570.3482 6231.6665 298.3133 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: 3380.97, 0.00391679/step Wall: 3380.97, 0.00391679/step, 1.81195 hours remaining, 113.089844 MB of memory in use. ENERGY: 834600 647.2556 1857.1465 1933.7443 93.3872 1.8801 -1064.5754 0.0000 0.0000 2691.9066 6160.7448 297.3286 3468.8382 6192.9666 299.2585 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: 3381.75, 0.00392106/step Wall: 3381.75, 0.00392106/step, 1.81371 hours remaining, 113.089844 MB of memory in use. ENERGY: 834800 647.1640 1833.5101 1966.8135 107.0747 3.1306 -1065.9805 0.0000 0.0000 2610.3817 6102.0941 288.3239 3491.7125 6133.0490 295.0580 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: 3382.54, 0.00392137/step Wall: 3382.54, 0.00392136/step, 1.81363 hours remaining, 113.089844 MB of memory in use. ENERGY: 835000 639.9896 1851.9353 1950.0648 99.2853 3.6815 -1082.4360 0.0000 0.0000 2687.2488 6149.7693 296.8141 3462.5205 6182.8660 296.4677 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: 3383.32, 0.00391985/step Wall: 3383.32, 0.00391985/step, 1.81271 hours remaining, 113.089844 MB of memory in use. ENERGY: 835200 662.9637 1862.1711 1954.3164 107.1920 3.5211 -1029.6258 0.0000 0.0000 2723.3513 6283.8898 300.8017 3560.5385 6314.3525 300.6397 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: 3384.11, 0.00391884/step Wall: 3384.11, 0.00391884/step, 1.81203 hours remaining, 113.089844 MB of memory in use. ENERGY: 835400 634.1466 1865.5546 1961.0929 94.1821 3.5369 -1085.2841 0.0000 0.0000 2764.9420 6238.1711 305.3955 3473.2291 6270.4956 302.5134 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: 3384.89, 0.00391478/step Wall: 3384.89, 0.00391478/step, 1.80994 hours remaining, 113.089844 MB of memory in use. ENERGY: 835600 642.7418 1830.7108 1961.0133 106.8468 0.4066 -1059.5390 0.0000 0.0000 2669.1676 6151.3477 294.8170 3482.1801 6179.5735 299.5790 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: 3385.67, 0.0039207/step Wall: 3385.67, 0.0039207/step, 1.81245 hours remaining, 113.089844 MB of memory in use. ENERGY: 835800 659.9505 1870.7195 1942.2777 100.3313 2.9169 -1126.1379 0.0000 0.0000 2671.1936 6121.2518 295.0408 3450.0582 6153.2954 295.8717 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: 3386.46, 0.00392107/step Wall: 3386.46, 0.00392107/step, 1.81241 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 629.8912 1790.0486 1965.2363 114.6540 2.1443 -1092.3606 0.0000 0.0000 2779.6994 6189.3131 307.0255 3409.6137 6223.5990 296.7407 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: 3387.24, 0.00391935/step Wall: 3387.24, 0.00391935/step, 1.81139 hours remaining, 113.089844 MB of memory in use. ENERGY: 836200 673.5524 1794.3278 1971.1517 107.2715 2.4974 -1080.4028 0.0000 0.0000 2776.6892 6245.0871 306.6931 3468.3980 6280.1162 300.9612 LDB: ============= START OF LOAD BALANCING ============== 3389.94 LDB: ============== END OF LOAD BALANCING =============== 3389.94 LDB: =============== DONE WITH MIGRATION ================ 3389.94 LDB: ============= START OF LOAD BALANCING ============== 3390.33 LDB: ============== END OF LOAD BALANCING =============== 3390.33 LDB: =============== DONE WITH MIGRATION ================ 3390.33 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: 3388.03, 0.00391945/step Wall: 3388.03, 0.00391945/step, 1.81122 hours remaining, 113.089844 MB of memory in use. ENERGY: 836400 648.9196 1901.0376 1974.0791 116.5181 2.1098 -1079.1005 0.0000 0.0000 2671.6641 6235.2278 295.0927 3563.5637 6266.6882 301.8619 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: 3388.81, 0.00391999/step Wall: 3388.81, 0.00391999/step, 1.81125 hours remaining, 113.089844 MB of memory in use. ENERGY: 836600 664.1737 1869.2042 1949.1674 95.6510 0.2066 -1090.3778 0.0000 0.0000 2759.1036 6247.1287 304.7507 3488.0251 6282.0868 301.7616 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: 3389.59, 0.00392034/step Wall: 3389.59, 0.00392034/step, 1.8112 hours remaining, 113.089844 MB of memory in use. ENERGY: 836800 637.5056 1894.6865 1972.5488 106.3374 1.0959 -1048.0686 0.0000 0.0000 2659.0000 6223.1057 293.6940 3564.1056 6255.6223 301.7248 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: 3390.38, 0.00391718/step Wall: 3390.38, 0.00391718/step, 1.80952 hours remaining, 113.089844 MB of memory in use. ENERGY: 837000 675.6586 1814.3237 1989.8782 100.2395 2.1187 -1104.5832 0.0000 0.0000 2730.2214 6207.8569 301.5606 3477.6356 6243.0515 301.3961 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: 3391.16, 0.0039159/step Wall: 3391.16, 0.0039159/step, 1.80871 hours remaining, 113.089844 MB of memory in use. ENERGY: 837200 660.5519 1814.8297 1986.2611 115.1724 2.5035 -1079.5334 0.0000 0.0000 2710.2090 6209.9943 299.3501 3499.7853 6244.1413 300.1588 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: 3391.94, 0.00391346/step Wall: 3391.94, 0.00391346/step, 1.80737 hours remaining, 113.089844 MB of memory in use. ENERGY: 837400 656.5571 1811.4523 1994.6891 107.1439 2.8681 -1081.7557 0.0000 0.0000 2723.3508 6214.3056 300.8017 3490.9548 6249.0035 300.7368 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: 3392.73, 0.00391811/step Wall: 3392.73, 0.00391811/step, 1.8093 hours remaining, 113.089844 MB of memory in use. ENERGY: 837600 671.1383 1862.6724 1972.8720 109.2117 3.9062 -1101.7944 0.0000 0.0000 2708.6650 6226.6711 299.1796 3518.0061 6259.9228 299.7306 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: 3393.51, 0.00391913/step Wall: 3393.51, 0.00391913/step, 1.80955 hours remaining, 113.089844 MB of memory in use. ENERGY: 837800 641.4239 1842.1633 1971.3124 108.8794 3.4665 -1084.5962 0.0000 0.0000 2706.6053 6189.2546 298.9521 3482.6493 6218.0865 297.7467 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: 3394.29, 0.00391841/step Wall: 3394.29, 0.00391841/step, 1.809 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 605.2259 1855.2443 1988.9141 100.6504 2.7637 -1078.6075 0.0000 0.0000 2749.0161 6223.2070 303.6365 3474.1909 6259.8860 298.6490 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: 3395.08, 0.0039162/step Wall: 3395.08, 0.0039162/step, 1.80776 hours remaining, 113.089844 MB of memory in use. ENERGY: 838200 622.3551 1888.6770 1960.1043 113.2474 1.5736 -1062.5876 0.0000 0.0000 2697.5188 6220.8885 297.9485 3523.3697 6252.7116 300.6664 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: 3395.86, 0.00391991/step Wall: 3395.86, 0.00391991/step, 1.80926 hours remaining, 113.089844 MB of memory in use. ENERGY: 838400 647.0886 1871.8089 1987.3277 116.0314 1.7716 -1049.0959 0.0000 0.0000 2658.4662 6233.3985 293.6350 3574.9322 6266.0245 299.8754 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: 3396.65, 0.00391998/step Wall: 3396.65, 0.00391998/step, 1.80907 hours remaining, 113.089844 MB of memory in use. ENERGY: 838600 662.1936 1861.6942 1953.2581 115.7011 2.4413 -1052.7761 0.0000 0.0000 2693.5332 6236.0453 297.5082 3542.5122 6269.9238 301.8327 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: 3397.43, 0.00392301/step Wall: 3397.43, 0.00392301/step, 1.81025 hours remaining, 113.089844 MB of memory in use. ENERGY: 838800 655.3699 1846.5510 1977.1766 109.9449 0.7980 -1063.6558 0.0000 0.0000 2662.6992 6188.8837 294.1025 3526.1845 6222.1974 300.5344 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: 3398.21, 0.00391607/step Wall: 3398.21, 0.00391607/step, 1.80683 hours remaining, 113.089844 MB of memory in use. ENERGY: 839000 690.6160 1858.9815 1974.8435 103.7600 3.3803 -1065.5439 0.0000 0.0000 2648.0856 6214.1229 292.4884 3566.0373 6246.1316 298.6717 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: 3399, 0.00391355/step Wall: 3399, 0.00391355/step, 1.80545 hours remaining, 113.089844 MB of memory in use. ENERGY: 839200 621.8570 1846.7818 1926.8595 102.5153 1.7848 -1045.5248 0.0000 0.0000 2704.9446 6159.2182 298.7687 3454.2736 6192.5256 296.5578 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: 3399.78, 0.00391696/step Wall: 3399.78, 0.00391696/step, 1.80681 hours remaining, 113.089844 MB of memory in use. ENERGY: 839400 639.4804 1847.8215 1954.6584 104.2659 1.7685 -1057.7938 0.0000 0.0000 2668.1590 6158.3600 294.7056 3490.2010 6191.5923 297.8580 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: 3400.56, 0.00391787/step Wall: 3400.56, 0.00391787/step, 1.80701 hours remaining, 113.089844 MB of memory in use. ENERGY: 839600 613.1397 1800.8275 1966.1349 128.1917 1.8042 -1051.4818 0.0000 0.0000 2698.4741 6157.0902 298.0540 3458.6162 6190.7532 297.5593 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: 3401.35, 0.00391606/step Wall: 3401.35, 0.00391606/step, 1.80596 hours remaining, 113.089844 MB of memory in use. ENERGY: 839800 644.9911 1852.1530 1944.7581 105.6813 2.5702 -1054.4352 0.0000 0.0000 2706.6922 6202.4107 298.9617 3495.7185 6234.0206 297.8289 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: 3402.13, 0.00391412/step Wall: 3402.13, 0.00391412/step, 1.80484 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 654.9082 1913.4769 1959.4416 108.4357 2.5294 -1111.6954 0.0000 0.0000 2740.4203 6267.5166 302.6871 3527.0963 6301.0123 302.5104 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 840000 WRITING COORDINATES TO DCD FILE MD.1.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: 3403.39, 0.00629957/step Wall: 3403.39, 0.00629957/step, 2.90445 hours remaining, 113.089844 MB of memory in use. ENERGY: 840200 664.9283 1883.9141 1943.8607 107.5014 2.6265 -1102.2096 0.0000 0.0000 2746.9363 6247.5579 303.4068 3500.6215 6282.2156 304.0703 LDB: ============= START OF LOAD BALANCING ============== 3406.09 LDB: ============== END OF LOAD BALANCING =============== 3406.09 LDB: =============== DONE WITH MIGRATION ================ 3406.09 LDB: ============= START OF LOAD BALANCING ============== 3406.48 LDB: ============== END OF LOAD BALANCING =============== 3406.48 LDB: =============== DONE WITH MIGRATION ================ 3406.48 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: 3404.17, 0.00392228/step Wall: 3404.17, 0.00392228/step, 1.80817 hours remaining, 113.089844 MB of memory in use. ENERGY: 840400 678.5030 1855.7341 1952.7130 108.9702 2.4224 -1081.7384 0.0000 0.0000 2723.8601 6240.4644 300.8579 3516.6043 6274.1944 303.3362 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: 3404.96, 0.00391157/step Wall: 3404.96, 0.00391157/step, 1.80302 hours remaining, 113.089844 MB of memory in use. ENERGY: 840600 655.7422 1812.6314 1960.7320 124.6006 1.6967 -1106.5202 0.0000 0.0000 2789.8083 6238.6910 308.1421 3448.8827 6275.8863 304.0481 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: 3405.74, 0.0039163/step Wall: 3405.74, 0.0039163/step, 1.80498 hours remaining, 113.089844 MB of memory in use. ENERGY: 840800 652.4057 1817.2837 1942.0133 119.5656 3.7763 -1084.0873 0.0000 0.0000 2790.7824 6241.7398 308.2497 3450.9574 6278.5466 303.5128 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: 3406.52, 0.00391627/step Wall: 3406.52, 0.00391627/step, 1.80475 hours remaining, 113.089844 MB of memory in use. ENERGY: 841000 662.6344 1846.6875 1944.5232 108.7933 4.1625 -1062.8233 0.0000 0.0000 2727.4696 6231.4474 301.2566 3503.9778 6265.6900 301.7454 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: 3407.31, 0.00391683/step Wall: 3407.31, 0.00391683/step, 1.80479 hours remaining, 113.089844 MB of memory in use. ENERGY: 841200 658.3178 1844.6815 1941.0014 109.1864 2.4382 -1086.7684 0.0000 0.0000 2763.6551 6232.5121 305.2534 3468.8570 6267.3534 302.3058 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: 3408.09, 0.00391451/step Wall: 3408.09, 0.00391451/step, 1.8035 hours remaining, 113.089844 MB of memory in use. ENERGY: 841400 631.7347 1888.0382 1945.8687 110.8674 2.5683 -1073.6487 0.0000 0.0000 2770.1420 6275.5707 305.9699 3505.4287 6305.5635 304.1318 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: 3408.87, 0.0039187/step Wall: 3408.87, 0.0039187/step, 1.80521 hours remaining, 113.089844 MB of memory in use. ENERGY: 841600 691.1513 1831.7167 1950.6529 105.7976 1.9125 -1096.0170 0.0000 0.0000 2758.3803 6243.5943 304.6708 3485.2140 6277.3122 305.6996 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: 3409.66, 0.00391803/step Wall: 3409.66, 0.00391803/step, 1.80469 hours remaining, 113.089844 MB of memory in use. ENERGY: 841800 651.3788 1854.9461 1954.6967 116.3133 1.9115 -1085.1055 0.0000 0.0000 2707.7264 6201.8675 299.0759 3494.1411 6236.2839 301.6279 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: 3410.44, 0.00391812/step Wall: 3410.44, 0.00391812/step, 1.80451 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 629.2631 1877.0412 1957.9883 114.8035 1.4690 -1097.3251 0.0000 0.0000 2731.2172 6214.4572 301.6706 3483.2400 6247.9189 301.6950 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: 3411.22, 0.00391719/step Wall: 3411.22, 0.00391719/step, 1.80387 hours remaining, 113.089844 MB of memory in use. ENERGY: 842200 658.1146 1837.0505 1956.8449 112.3361 2.1852 -1082.3128 0.0000 0.0000 2726.6590 6210.8776 301.1671 3484.2186 6244.0385 302.4444 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: 3412.01, 0.00391261/step Wall: 3412.01, 0.00391261/step, 1.80154 hours remaining, 113.089844 MB of memory in use. ENERGY: 842400 659.9647 1858.0371 1961.8469 104.8627 1.2493 -1082.4566 0.0000 0.0000 2700.1168 6203.6210 298.2354 3503.5042 6234.6500 301.2356 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: 3412.79, 0.00391822/step Wall: 3412.79, 0.00391822/step, 1.8039 hours remaining, 113.089844 MB of memory in use. ENERGY: 842600 632.6403 1861.6530 1939.2394 107.8707 1.0001 -1061.7924 0.0000 0.0000 2756.7496 6237.3608 304.4907 3480.6112 6269.8712 300.9756 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: 3413.57, 0.00391813/step Wall: 3413.57, 0.00391813/step, 1.80365 hours remaining, 113.089844 MB of memory in use. ENERGY: 842800 663.6405 1867.3256 1941.5156 104.8795 3.5421 -1037.0063 0.0000 0.0000 2734.3687 6278.2656 302.0186 3543.8969 6311.1704 304.7634 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: 3414.36, 0.00391694/step Wall: 3414.36, 0.00391694/step, 1.80288 hours remaining, 113.089844 MB of memory in use. ENERGY: 843000 619.3275 1815.4009 1995.4724 120.5801 1.7755 -1073.0428 0.0000 0.0000 2792.0561 6271.5697 308.3904 3479.5136 6307.6953 305.2711 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: 3415.14, 0.00391166/step Wall: 3415.14, 0.00391166/step, 1.80023 hours remaining, 113.089844 MB of memory in use. ENERGY: 843200 675.6166 1903.6455 1946.7804 102.3802 0.9425 -1063.5739 0.0000 0.0000 2689.7207 6255.5121 297.0871 3565.7914 6283.9239 303.5682 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: 3415.92, 0.00391562/step Wall: 3415.92, 0.00391562/step, 1.80184 hours remaining, 113.089844 MB of memory in use. ENERGY: 843400 677.1616 1858.9839 1916.9532 102.9603 1.1837 -1085.5134 0.0000 0.0000 2813.1832 6284.9127 310.7239 3471.7295 6318.4389 304.3008 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: 3416.71, 0.00391913/step Wall: 3416.71, 0.00391913/step, 1.80324 hours remaining, 113.089844 MB of memory in use. ENERGY: 843600 658.5797 1891.4411 1945.1314 106.0960 1.5438 -1089.4726 0.0000 0.0000 2714.4083 6227.7276 299.8140 3513.3194 6260.2386 303.2779 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: 3417.49, 0.00391722/step Wall: 3417.49, 0.00391722/step, 1.80214 hours remaining, 113.089844 MB of memory in use. ENERGY: 843800 647.9943 1908.6111 1945.6497 116.2665 1.6207 -1073.7766 0.0000 0.0000 2754.7245 6301.0902 304.2670 3546.3657 6332.5323 305.2297 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: 3418.27, 0.00391586/step Wall: 3418.27, 0.00391586/step, 1.8013 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: 844000 637.5969 1900.8153 1960.6962 103.0667 0.8079 -1098.9650 0.0000 0.0000 2804.9681 6308.9859 309.8165 3504.0178 6345.1225 306.1314 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: 3419.05, 0.00391167/step Wall: 3419.05, 0.00391167/step, 1.79915 hours remaining, 113.089844 MB of memory in use. ENERGY: 844200 651.7052 1856.7967 1975.1762 99.1020 2.0866 -1135.5238 0.0000 0.0000 2769.9571 6219.3000 305.9495 3449.3428 6255.6804 303.2602 LDB: ============= START OF LOAD BALANCING ============== 3421.76 LDB: ============== END OF LOAD BALANCING =============== 3421.76 LDB: =============== DONE WITH MIGRATION ================ 3421.76 LDB: ============= START OF LOAD BALANCING ============== 3422.15 LDB: ============== END OF LOAD BALANCING =============== 3422.15 LDB: =============== DONE WITH MIGRATION ================ 3422.15 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: 3419.84, 0.00392039/step Wall: 3419.84, 0.00392039/step, 1.80294 hours remaining, 113.089844 MB of memory in use. ENERGY: 844400 661.3681 1825.7598 1996.0136 106.3266 1.3641 -1111.9682 0.0000 0.0000 2744.3599 6223.2240 303.1222 3478.8641 6257.4129 302.7002 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: 3420.62, 0.003916/step Wall: 3420.62, 0.003916/step, 1.80071 hours remaining, 113.089844 MB of memory in use. ENERGY: 844600 637.8325 1852.3438 1961.8042 100.3004 1.1854 -1092.7520 0.0000 0.0000 2758.3169 6219.0312 304.6638 3460.7143 6252.3562 303.4587 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: 3421.4, 0.00391593/step Wall: 3421.4, 0.00391593/step, 1.80046 hours remaining, 113.089844 MB of memory in use. ENERGY: 844800 664.7505 1864.7057 1964.7434 115.2291 0.6744 -1075.1661 0.0000 0.0000 2715.6520 6250.5890 299.9513 3534.9370 6281.9568 300.6044 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: 3422.19, 0.00391637/step Wall: 3422.19, 0.00391637/step, 1.80044 hours remaining, 113.089844 MB of memory in use. ENERGY: 845000 657.0420 1845.5902 1979.5406 102.0538 1.8845 -1057.0380 0.0000 0.0000 2709.1528 6238.2260 299.2335 3529.0731 6271.0379 303.3606 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: 3422.97, 0.0039123/step Wall: 3422.97, 0.0039123/step, 1.79835 hours remaining, 113.089844 MB of memory in use. ENERGY: 845200 635.2594 1872.4015 1974.3357 99.6340 1.7327 -1113.4096 0.0000 0.0000 2737.0022 6206.9560 302.3095 3469.9537 6240.3991 301.7555 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: 3423.75, 0.00391768/step Wall: 3423.75, 0.00391768/step, 1.80061 hours remaining, 113.089844 MB of memory in use. ENERGY: 845400 671.7087 1843.8479 1944.1728 116.0080 2.5713 -1100.9238 0.0000 0.0000 2726.1666 6203.5514 301.1127 3477.3848 6236.6027 300.9498 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: 3424.54, 0.00391673/step Wall: 3424.54, 0.00391673/step, 1.79996 hours remaining, 113.089844 MB of memory in use. ENERGY: 845600 637.6059 1816.8642 1952.3047 107.3919 2.7035 -1088.0669 0.0000 0.0000 2697.2857 6126.0890 297.9227 3428.8034 6161.4860 299.9037 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: 3425.32, 0.00391879/step Wall: 3425.32, 0.00391879/step, 1.80069 hours remaining, 113.089844 MB of memory in use. ENERGY: 845800 661.7839 1900.2529 1951.9355 96.3891 1.7554 -1132.1546 0.0000 0.0000 2654.2499 6134.2120 293.1693 3479.9621 6163.1614 298.0112 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: 3426.1, 0.00391406/step Wall: 3426.1, 0.00391406/step, 1.79829 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: 846000 621.9588 1903.3003 1929.7185 106.3131 2.1158 -1084.9510 0.0000 0.0000 2682.5134 6160.9688 296.2911 3478.4555 6193.8625 297.7444 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: 3426.89, 0.00393371/step Wall: 3426.89, 0.00393371/step, 1.8071 hours remaining, 113.089844 MB of memory in use. ENERGY: 846200 648.0935 1861.1958 1935.9895 113.6461 1.0585 -1070.7169 0.0000 0.0000 2650.5834 6139.8498 292.7643 3489.2664 6169.4131 296.6058 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: 3427.68, 0.00392308/step Wall: 3427.68, 0.00392308/step, 1.802 hours remaining, 113.089844 MB of memory in use. ENERGY: 846400 659.9612 1828.2017 1953.4510 100.7144 1.2571 -1051.5484 0.0000 0.0000 2657.9134 6149.9504 293.5739 3492.0370 6181.0990 296.7244 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: 3428.46, 0.00392134/step Wall: 3428.46, 0.00392134/step, 1.80099 hours remaining, 113.089844 MB of memory in use. ENERGY: 846600 645.9572 1869.6919 1961.4702 120.0083 1.6474 -1092.7250 0.0000 0.0000 2672.1393 6178.1893 295.1452 3506.0500 6211.5511 298.1451 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: 3429.24, 0.00391921/step Wall: 3429.24, 0.00391921/step, 1.79979 hours remaining, 113.089844 MB of memory in use. ENERGY: 846800 678.1735 1874.7913 1935.6486 107.6528 1.9602 -1132.9727 0.0000 0.0000 2675.3835 6140.6372 295.5036 3465.2537 6171.8479 296.6829 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: 3430.03, 0.00391261/step Wall: 3430.03, 0.00391261/step, 1.79654 hours remaining, 113.089844 MB of memory in use. ENERGY: 847000 633.4911 1836.4513 1955.1773 118.7494 2.8649 -1092.5203 0.0000 0.0000 2661.9310 6116.1447 294.0177 3454.2137 6150.5888 295.7301 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: 3430.81, 0.00392058/step Wall: 3430.81, 0.00392058/step, 1.79998 hours remaining, 113.089844 MB of memory in use. ENERGY: 847200 678.1025 1819.9506 2000.0385 105.7268 2.0586 -1121.7271 0.0000 0.0000 2665.2485 6149.3984 294.3841 3484.1499 6180.1431 295.8195 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: 3431.59, 0.00391755/step Wall: 3431.59, 0.00391755/step, 1.79837 hours remaining, 113.089844 MB of memory in use. ENERGY: 847400 690.7919 1853.0980 1960.6029 108.6597 1.4978 -1115.3750 0.0000 0.0000 2716.0908 6215.3660 299.9998 3499.2752 6249.2546 298.9476 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: 3432.38, 0.0039196/step Wall: 3432.38, 0.00391959/step, 1.79909 hours remaining, 113.089844 MB of memory in use. ENERGY: 847600 690.6758 1838.3994 1941.4682 111.0019 1.7314 -1109.4827 0.0000 0.0000 2677.5086 6151.3025 295.7383 3473.7940 6187.4339 299.3065 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: 3433.16, 0.00391257/step Wall: 3433.16, 0.00391258/step, 1.79566 hours remaining, 113.089844 MB of memory in use. ENERGY: 847800 649.9257 1840.1368 1956.8804 115.7762 2.1934 -1115.4653 0.0000 0.0000 2742.0093 6191.4566 302.8626 3449.4473 6222.4117 298.4301 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: 3433.94, 0.00391728/step Wall: 3433.94, 0.00391728/step, 1.7976 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: 848000 645.3402 1907.7772 1960.7587 99.8805 2.3136 -1143.0947 0.0000 0.0000 2739.9313 6212.9067 302.6330 3472.9754 6248.3037 303.6129 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: 3434.73, 0.00391971/step Wall: 3434.73, 0.00391971/step, 1.7985 hours remaining, 113.089844 MB of memory in use. ENERGY: 848200 657.7697 1873.7877 1922.2960 101.9154 1.3295 -1084.0143 0.0000 0.0000 2731.3299 6204.4140 301.6830 3473.0841 6236.2507 300.7750 LDB: ============= START OF LOAD BALANCING ============== 3437.43 LDB: ============== END OF LOAD BALANCING =============== 3437.43 LDB: =============== DONE WITH MIGRATION ================ 3437.43 LDB: ============= START OF LOAD BALANCING ============== 3437.82 LDB: ============== END OF LOAD BALANCING =============== 3437.82 LDB: =============== DONE WITH MIGRATION ================ 3437.82 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: 3435.51, 0.00392232/step Wall: 3435.51, 0.00392232/step, 1.79947 hours remaining, 113.089844 MB of memory in use. ENERGY: 848400 649.8759 1840.0568 1979.1733 105.5089 -0.4561 -1059.2912 0.0000 0.0000 2659.0846 6173.9522 293.7033 3514.8676 6204.6211 300.0475 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: 3436.3, 0.00391824/step Wall: 3436.3, 0.00391824/step, 1.79738 hours remaining, 113.089844 MB of memory in use. ENERGY: 848600 660.4851 1872.4571 1954.3747 108.3467 1.7799 -1126.1659 0.0000 0.0000 2686.5425 6157.8200 296.7361 3471.2776 6190.6713 298.1381 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: 3437.08, 0.0039115/step Wall: 3437.08, 0.00391151/step, 1.79408 hours remaining, 113.089844 MB of memory in use. ENERGY: 848800 618.7057 1881.9277 1963.7089 107.9922 2.3613 -1096.2036 0.0000 0.0000 2748.4036 6226.8959 303.5688 3478.4923 6259.5971 299.7667 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: 3437.86, 0.00392757/step Wall: 3437.86, 0.00392756/step, 1.80122 hours remaining, 113.089844 MB of memory in use. ENERGY: 849000 675.4830 1860.5822 1959.4035 115.9997 0.8317 -1107.1449 0.0000 0.0000 2755.4988 6260.6540 304.3525 3505.1552 6291.6496 300.6049 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: 3439.39, 0.00761302/step Wall: 3439.39, 0.00761303/step, 3.491 hours remaining, 113.089844 MB of memory in use. ENERGY: 849200 646.0115 1875.8369 1957.9672 107.1482 1.2539 -1066.0818 0.0000 0.0000 2736.5546 6258.6903 302.2601 3522.1358 6289.7560 303.7274 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: 3440.17, 0.00393407/step Wall: 3440.17, 0.00393407/step, 1.80377 hours remaining, 113.089844 MB of memory in use. ENERGY: 849400 647.6458 1883.9947 1947.1160 97.2175 1.6896 -1098.1002 0.0000 0.0000 2750.3939 6229.9573 303.7887 3479.5634 6263.9951 302.9936 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: 3440.96, 0.00391868/step Wall: 3440.96, 0.00391868/step, 1.7965 hours remaining, 113.089844 MB of memory in use. ENERGY: 849600 659.6406 1815.8616 1977.3718 102.8846 1.2215 -1084.6300 0.0000 0.0000 2753.4886 6225.8385 304.1305 3472.3500 6257.6201 301.8759 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: 3441.74, 0.0039177/step Wall: 3441.74, 0.0039177/step, 1.79583 hours remaining, 113.089844 MB of memory in use. ENERGY: 849800 653.4461 1804.2759 1965.0170 118.5708 -0.4750 -1108.5561 0.0000 0.0000 2758.8694 6191.1482 304.7248 3432.2787 6223.0017 301.6427 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: 3442.52, 0.00391971/step Wall: 3442.52, 0.00391971/step, 1.79653 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: 850000 660.9264 1868.0274 1971.9452 115.2183 0.8888 -1101.1488 0.0000 0.0000 2681.4550 6197.3123 296.1742 3515.8574 6228.6897 299.5802 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 850000 WRITING COORDINATES TO DCD FILE MD.1.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: 3443.35, 0.00414469/step Wall: 3443.35, 0.00414469/step, 1.89942 hours remaining, 113.089844 MB of memory in use. ENERGY: 850200 623.0269 1803.0841 1947.1529 104.0533 1.0228 -1040.6718 0.0000 0.0000 2702.4319 6140.1001 298.4911 3437.6682 6175.5118 297.9037 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: 3444.13, 0.00391038/step Wall: 3444.13, 0.00391038/step, 1.79182 hours remaining, 113.089844 MB of memory in use. ENERGY: 850400 633.0658 1787.4659 1969.4680 105.2553 1.2235 -1091.4330 0.0000 0.0000 2702.5302 6107.5758 298.5020 3405.0456 6143.4254 295.8111 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: 3444.92, 0.00392021/step Wall: 3444.92, 0.00392021/step, 1.79611 hours remaining, 113.089844 MB of memory in use. ENERGY: 850600 658.3463 1805.4502 1959.8873 108.7146 2.1242 -1091.5682 0.0000 0.0000 2684.4169 6127.3713 296.5013 3442.9544 6163.0286 295.7721 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: 3445.7, 0.00391816/step Wall: 3445.7, 0.00391816/step, 1.79495 hours remaining, 113.089844 MB of memory in use. ENERGY: 850800 664.2231 1801.1501 1972.4829 107.7963 2.5074 -1102.1150 0.0000 0.0000 2703.9250 6149.9698 298.6561 3446.0447 6179.1657 297.4301 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: 3446.49, 0.00391904/step Wall: 3446.49, 0.00391903/step, 1.79513 hours remaining, 113.089844 MB of memory in use. ENERGY: 851000 657.8382 1825.4556 1967.4027 98.9981 1.4236 -1086.7555 0.0000 0.0000 2716.4592 6180.8219 300.0405 3464.3627 6214.4286 297.5118 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: 3447.27, 0.00391876/step Wall: 3447.27, 0.00391876/step, 1.79479 hours remaining, 113.089844 MB of memory in use. ENERGY: 851200 625.6402 1855.7373 1958.2891 107.5644 1.8573 -1118.7973 0.0000 0.0000 2752.9098 6183.2008 304.0666 3430.2910 6216.7700 300.2657 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: 3448.05, 0.00391423/step Wall: 3448.05, 0.00391423/step, 1.7925 hours remaining, 113.089844 MB of memory in use. ENERGY: 851400 632.0802 1858.3765 1976.8444 124.0324 1.5039 -1128.3517 0.0000 0.0000 2725.2054 6189.6911 301.0065 3464.4856 6219.9036 300.0762 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: 3448.84, 0.00392187/step Wall: 3448.84, 0.00392187/step, 1.79578 hours remaining, 113.089844 MB of memory in use. ENERGY: 851600 636.4772 1853.2734 1928.6120 108.7474 2.4202 -1079.5711 0.0000 0.0000 2727.9008 6177.8600 301.3042 3449.9592 6210.4415 299.6359 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: 3449.62, 0.00391938/step Wall: 3449.62, 0.00391938/step, 1.79442 hours remaining, 113.089844 MB of memory in use. ENERGY: 851800 668.6764 1849.4957 1945.7379 105.1362 2.6038 -1065.8121 0.0000 0.0000 2674.5623 6180.4003 295.4129 3505.8380 6211.2055 298.5639 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: 3450.41, 0.00392155/step Wall: 3450.41, 0.00392155/step, 1.7952 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: 852000 648.0905 1828.3098 1985.9123 109.1697 2.3004 -1101.1046 0.0000 0.0000 2717.4478 6190.1258 300.1497 3472.6781 6222.7748 298.1423 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: 3451.19, 0.00391171/step Wall: 3451.19, 0.00391171/step, 1.79047 hours remaining, 113.089844 MB of memory in use. ENERGY: 852200 657.9740 1843.2350 1959.3466 105.7256 2.8601 -1079.6987 0.0000 0.0000 2712.0717 6201.5143 299.5559 3489.4427 6234.2531 300.1755 LDB: ============= START OF LOAD BALANCING ============== 3453.89 LDB: ============== END OF LOAD BALANCING =============== 3453.89 LDB: =============== DONE WITH MIGRATION ================ 3453.89 LDB: ============= START OF LOAD BALANCING ============== 3454.28 LDB: ============== END OF LOAD BALANCING =============== 3454.28 LDB: =============== DONE WITH MIGRATION ================ 3454.28 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: 3451.97, 0.00392418/step Wall: 3451.97, 0.00392418/step, 1.79596 hours remaining, 113.089844 MB of memory in use. ENERGY: 852400 661.1139 1842.7363 1927.5649 110.1831 1.2932 -1077.0305 0.0000 0.0000 2663.0867 6128.9476 294.1453 3465.8609 6159.0696 295.7210 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: 3452.76, 0.00392172/step Wall: 3452.76, 0.00392172/step, 1.79462 hours remaining, 113.089844 MB of memory in use. ENERGY: 852600 666.0882 1757.0817 1971.4502 105.8151 2.1006 -1069.8270 0.0000 0.0000 2711.5996 6144.3084 299.5037 3432.7088 6178.5500 296.8677 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: 3453.54, 0.00392025/step Wall: 3453.54, 0.00392025/step, 1.79373 hours remaining, 113.089844 MB of memory in use. ENERGY: 852800 673.3067 1825.5987 1941.9324 110.5828 0.8613 -1049.0313 0.0000 0.0000 2658.6960 6161.9466 293.6604 3503.2507 6194.2018 298.4512 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: 3454.33, 0.00392023/step Wall: 3454.33, 0.00392023/step, 1.79351 hours remaining, 113.089844 MB of memory in use. ENERGY: 853000 635.5057 1845.1450 1968.2034 93.4242 2.0194 -1103.2966 0.0000 0.0000 2631.9564 6072.9575 290.7069 3441.0011 6105.7574 296.6673 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: 3455.11, 0.00391405/step Wall: 3455.11, 0.00391405/step, 1.79046 hours remaining, 113.097656 MB of memory in use. ENERGY: 853200 623.8649 1902.4538 1953.8521 107.2446 1.7082 -1107.4651 0.0000 0.0000 2597.0988 6078.7574 286.8568 3481.6586 6105.6719 293.3469 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: 3455.89, 0.00392094/step Wall: 3455.89, 0.00392094/step, 1.79339 hours remaining, 113.097656 MB of memory in use. ENERGY: 853400 653.5846 1839.1963 1950.6159 117.4517 0.9278 -1126.2135 0.0000 0.0000 2639.1859 6074.7487 291.5054 3435.5628 6108.6344 291.6665 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: 3456.68, 0.00392284/step Wall: 3456.68, 0.00392284/step, 1.79405 hours remaining, 113.097656 MB of memory in use. ENERGY: 853600 655.3773 1821.1192 1946.1150 104.6169 1.7540 -1156.2554 0.0000 0.0000 2686.7083 6059.4352 296.7544 3372.7269 6092.2228 292.0850 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: 3457.46, 0.00392375/step Wall: 3457.46, 0.00392375/step, 1.79424 hours remaining, 113.097656 MB of memory in use. ENERGY: 853800 638.1010 1806.3061 1962.7734 104.2690 1.8865 -1156.8172 0.0000 0.0000 2662.4871 6019.0060 294.0791 3356.5188 6051.4417 293.5558 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: 3458.24, 0.00391732/step Wall: 3458.24, 0.00391732/step, 1.79109 hours remaining, 113.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 854000 653.1263 1805.6561 1995.4884 108.5219 1.3624 -1132.4219 0.0000 0.0000 2613.9365 6045.6697 288.7166 3431.7332 6080.6211 293.0006 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: 3459.03, 0.00392058/step Wall: 3459.03, 0.00392058/step, 1.79236 hours remaining, 113.097656 MB of memory in use. ENERGY: 854200 625.5209 1788.9064 1972.4951 103.6911 1.2802 -1073.5677 0.0000 0.0000 2654.0036 6072.3296 293.1421 3418.3260 6101.9424 291.9684 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: 3459.81, 0.00392209/step Wall: 3459.81, 0.00392209/step, 1.79283 hours remaining, 113.097656 MB of memory in use. ENERGY: 854400 648.8732 1865.6672 1957.9577 98.6877 2.4760 -1113.0253 0.0000 0.0000 2698.0488 6158.6854 298.0070 3460.6366 6193.1088 296.4606 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: 3460.6, 0.00392114/step Wall: 3460.6, 0.00392114/step, 1.79218 hours remaining, 113.097656 MB of memory in use. ENERGY: 854600 637.7601 1831.5809 1998.4445 105.7065 1.5815 -1139.0522 0.0000 0.0000 2715.1703 6151.1916 299.8981 3436.0213 6185.7464 298.2066 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: 3461.38, 0.00391817/step Wall: 3461.38, 0.00391817/step, 1.79061 hours remaining, 113.097656 MB of memory in use. ENERGY: 854800 673.6973 1853.7302 1963.0021 98.7559 2.5355 -1107.2791 0.0000 0.0000 2697.0852 6181.5273 297.9006 3484.4420 6212.9500 297.8692 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: 3462.16, 0.00391231/step Wall: 3462.16, 0.00391231/step, 1.78771 hours remaining, 113.097656 MB of memory in use. ENERGY: 855000 638.6417 1859.4753 1982.4148 107.1987 2.8535 -1084.1083 0.0000 0.0000 2742.2873 6248.7631 302.8933 3506.4757 6284.2146 299.7998 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: 3462.95, 0.00392089/step Wall: 3462.95, 0.00392089/step, 1.79141 hours remaining, 113.097656 MB of memory in use. ENERGY: 855200 640.4592 1886.9148 1977.8088 111.6969 2.0080 -1093.8612 0.0000 0.0000 2706.3267 6231.3533 298.9213 3525.0265 6264.2060 301.6748 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: 3463.73, 0.00392033/step Wall: 3463.73, 0.00392033/step, 1.79094 hours remaining, 113.097656 MB of memory in use. ENERGY: 855400 653.7231 1835.2216 1964.3690 99.2427 2.2971 -1062.3506 0.0000 0.0000 2709.1002 6201.6030 299.2277 3492.5028 6236.8394 299.4133 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: 3464.52, 0.00392308/step Wall: 3464.52, 0.00392308/step, 1.79198 hours remaining, 113.097656 MB of memory in use. ENERGY: 855600 678.9601 1876.2103 1930.4193 92.3077 1.6884 -1112.2220 0.0000 0.0000 2721.8127 6189.1764 300.6318 3467.3638 6221.8754 299.7431 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: 3465.3, 0.00391956/step Wall: 3465.3, 0.00391956/step, 1.79015 hours remaining, 113.097656 MB of memory in use. ENERGY: 855800 623.5512 1887.5861 1971.3468 109.5051 1.5055 -1103.5411 0.0000 0.0000 2684.2407 6174.1943 296.4819 3489.9536 6206.1122 298.3039 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: 3466.08, 0.00391253/step Wall: 3466.08, 0.00391253/step, 1.78672 hours remaining, 113.097656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 856000 639.3105 1879.1630 1987.0525 104.3087 1.7101 -1122.5579 0.0000 0.0000 2726.3703 6215.3572 301.1352 3488.9869 6247.2353 299.9433 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: 3466.87, 0.00392083/step Wall: 3466.87, 0.00392083/step, 1.79029 hours remaining, 113.097656 MB of memory in use. ENERGY: 856200 648.1760 1790.0137 1994.3076 110.6767 1.7765 -1064.7713 0.0000 0.0000 2690.0746 6170.2537 297.1262 3480.1791 6201.5160 298.8885 LDB: ============= START OF LOAD BALANCING ============== 3469.57 LDB: ============== END OF LOAD BALANCING =============== 3469.57 LDB: =============== DONE WITH MIGRATION ================ 3469.57 LDB: ============= START OF LOAD BALANCING ============== 3469.96 LDB: ============== END OF LOAD BALANCING =============== 3469.96 LDB: =============== DONE WITH MIGRATION ================ 3469.96 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: 3467.65, 0.00392287/step Wall: 3467.65, 0.00392287/step, 1.79101 hours remaining, 113.105469 MB of memory in use. ENERGY: 856400 667.6053 1858.8997 1972.4983 114.1126 0.2751 -1084.6520 0.0000 0.0000 2726.1287 6254.8675 301.1085 3528.7389 6286.3653 301.2511 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: 3468.44, 0.00392021/step Wall: 3468.44, 0.00392021/step, 1.78958 hours remaining, 113.105469 MB of memory in use. ENERGY: 856600 631.4233 1825.3827 1983.7443 109.4829 2.6114 -1104.0244 0.0000 0.0000 2760.1792 6208.7994 304.8695 3448.6202 6244.2568 301.8893 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: 3469.22, 0.00391314/step Wall: 3469.22, 0.00391314/step, 1.78613 hours remaining, 113.105469 MB of memory in use. ENERGY: 856800 679.9786 1823.4689 1959.1858 106.7839 2.0988 -1088.8143 0.0000 0.0000 2720.6914 6203.3932 300.5079 3482.7017 6236.4331 301.6138 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: 3470, 0.00392066/step Wall: 3470, 0.00392066/step, 1.78935 hours remaining, 113.105469 MB of memory in use. ENERGY: 857000 687.4057 1827.2327 1978.7515 92.8163 3.1722 -1131.1414 0.0000 0.0000 2687.1405 6145.3775 296.8022 3458.2370 6178.5231 298.2079 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: 3470.79, 0.00391925/step Wall: 3470.79, 0.00391925/step, 1.78848 hours remaining, 113.113281 MB of memory in use. ENERGY: 857200 654.7513 1866.8383 1929.5282 108.7219 2.5591 -1122.0901 0.0000 0.0000 2677.4112 6117.7198 295.7275 3440.3086 6151.1406 297.6420 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: 3471.57, 0.00392083/step Wall: 3471.57, 0.00392083/step, 1.78899 hours remaining, 113.113281 MB of memory in use. ENERGY: 857400 676.6758 1803.9416 1931.2703 116.4036 2.4230 -1116.2925 0.0000 0.0000 2731.8542 6146.2760 301.7409 3414.4218 6180.2214 295.9504 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: 3472.35, 0.00392045/step Wall: 3472.35, 0.00392045/step, 1.7886 hours remaining, 113.113281 MB of memory in use. ENERGY: 857600 650.2209 1848.5033 1946.8439 105.7055 2.0004 -1122.6588 0.0000 0.0000 2721.9194 6152.5346 300.6436 3430.6152 6187.3305 299.2682 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: 3474.64, 0.0114331/step Wall: 3474.64, 0.0114331/step, 5.21542 hours remaining, 113.113281 MB of memory in use. ENERGY: 857800 618.1307 1812.7282 1946.6319 113.8951 2.4384 -1094.8945 0.0000 0.0000 2732.4353 6131.3651 301.8051 3398.9298 6167.4837 297.7146 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: 3475.43, 0.00394874/step Wall: 3475.43, 0.00394875/step, 1.80107 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: 858000 672.7848 1848.4154 1958.2267 105.6767 2.9143 -1134.0010 0.0000 0.0000 2718.7094 6172.7262 300.2890 3454.0168 6203.4809 298.7722 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: 3476.21, 0.00391315/step Wall: 3476.21, 0.00391315/step, 1.78461 hours remaining, 113.113281 MB of memory in use. ENERGY: 858200 668.9280 1771.1170 1969.3906 98.6827 2.2088 -1059.4343 0.0000 0.0000 2753.6095 6204.5022 304.1438 3450.8928 6238.5649 299.1141 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: 3477, 0.0039294/step Wall: 3477, 0.0039294/step, 1.79181 hours remaining, 113.113281 MB of memory in use. ENERGY: 858400 636.7154 1852.4273 1992.0176 113.9085 1.9203 -1100.4798 0.0000 0.0000 2686.1832 6182.6925 296.6964 3496.5093 6212.0173 300.9180 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: 3477.78, 0.00392131/step Wall: 3477.78, 0.00392131/step, 1.7879 hours remaining, 113.113281 MB of memory in use. ENERGY: 858600 620.8507 1824.8313 1946.8824 114.0973 1.7424 -1078.8248 0.0000 0.0000 2685.2600 6114.8393 296.5944 3429.5793 6146.1581 297.3865 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: 3478.57, 0.00392319/step Wall: 3478.57, 0.00392319/step, 1.78854 hours remaining, 113.113281 MB of memory in use. ENERGY: 858800 625.8549 1813.2552 1968.9829 108.7748 0.2068 -1116.1337 0.0000 0.0000 2679.0213 6079.9620 295.9054 3400.9408 6114.0796 295.1665 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: 3479.35, 0.00391271/step Wall: 3479.35, 0.00391271/step, 1.78355 hours remaining, 113.113281 MB of memory in use. ENERGY: 859000 668.6501 1857.5778 1932.7698 114.2413 2.3439 -1132.3408 0.0000 0.0000 2629.6368 6072.8789 290.4507 3443.2421 6102.7858 293.7625 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: 3480.13, 0.00391921/step Wall: 3480.13, 0.00391921/step, 1.78629 hours remaining, 113.113281 MB of memory in use. ENERGY: 859200 641.6082 1842.7335 1944.0258 97.3056 4.3156 -1093.6042 0.0000 0.0000 2656.0671 6092.4516 293.3700 3436.3846 6124.1448 295.6638 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: 3480.92, 0.00392004/step Wall: 3480.92, 0.00392004/step, 1.78645 hours remaining, 113.113281 MB of memory in use. ENERGY: 859400 635.3189 1830.5373 1953.9978 107.1338 2.8826 -1121.4104 0.0000 0.0000 2677.1361 6085.5960 295.6971 3408.4599 6117.7069 295.0128 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: 3481.7, 0.00391989/step Wall: 3481.7, 0.00391989/step, 1.78617 hours remaining, 113.113281 MB of memory in use. ENERGY: 859600 639.2680 1822.4683 1974.2187 97.7756 1.7493 -1102.0184 0.0000 0.0000 2730.3301 6163.7915 301.5726 3433.4613 6196.4037 297.9179 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: 3482.49, 0.00391844/step Wall: 3482.49, 0.00391844/step, 1.78528 hours remaining, 113.113281 MB of memory in use. ENERGY: 859800 651.6374 1844.3091 1975.1188 101.1730 3.2190 -1100.9046 0.0000 0.0000 2659.6546 6134.2073 293.7663 3474.5527 6167.3874 299.8217 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: 3483.27, 0.00391379/step Wall: 3483.27, 0.00391379/step, 1.78295 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: 860000 647.4847 1875.1753 1975.3013 102.8786 1.3500 -1143.8469 0.0000 0.0000 2702.0334 6160.3763 298.4471 3458.3429 6191.3731 297.4757 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 860000 WRITING COORDINATES TO DCD FILE MD.1.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: 3484.91, 0.00819166/step Wall: 3484.91, 0.00819166/step, 3.7313 hours remaining, 113.113281 MB of memory in use. ENERGY: 860200 676.5490 1879.1947 1991.2503 100.0302 1.8372 -1118.8585 0.0000 0.0000 2643.2310 6173.2339 291.9522 3530.0028 6206.0964 299.4580 LDB: ============= START OF LOAD BALANCING ============== 3487.61 LDB: ============== END OF LOAD BALANCING =============== 3487.61 LDB: =============== DONE WITH MIGRATION ================ 3487.61 LDB: ============= START OF LOAD BALANCING ============== 3488 LDB: ============== END OF LOAD BALANCING =============== 3488 LDB: =============== DONE WITH MIGRATION ================ 3488 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: 3485.69, 0.00392414/step Wall: 3485.69, 0.00392414/step, 1.78723 hours remaining, 113.113281 MB of memory in use. ENERGY: 860400 647.2417 1883.9456 1970.9293 104.5732 1.0321 -1106.8040 0.0000 0.0000 2675.6707 6176.5885 295.5353 3500.9178 6210.7563 298.2992 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: 3486.48, 0.00392828/step Wall: 3486.48, 0.00392828/step, 1.78889 hours remaining, 113.113281 MB of memory in use. ENERGY: 860600 649.3739 1883.5865 1936.0791 110.5207 2.3746 -1120.4543 0.0000 0.0000 2712.4639 6173.9444 299.5992 3461.4805 6209.6370 301.3888 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: 3487.26, 0.00392074/step Wall: 3487.26, 0.00392074/step, 1.78524 hours remaining, 113.113281 MB of memory in use. ENERGY: 860800 678.5629 1896.1462 1962.7627 100.0302 0.7147 -1144.8932 0.0000 0.0000 2675.6957 6169.0192 295.5380 3493.3234 6201.9575 299.2097 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: 3488.05, 0.00392477/step Wall: 3488.05, 0.00392477/step, 1.78686 hours remaining, 113.113281 MB of memory in use. ENERGY: 861000 664.9651 1810.9703 1971.1901 110.4381 1.3746 -1120.2310 0.0000 0.0000 2765.1833 6203.8905 305.4222 3438.7072 6237.8975 300.5917 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: 3488.83, 0.00392387/step Wall: 3488.83, 0.00392387/step, 1.78623 hours remaining, 113.113281 MB of memory in use. ENERGY: 861200 669.8558 1860.3042 1958.0477 111.8108 3.0549 -1107.4416 0.0000 0.0000 2735.7415 6231.3733 302.1703 3495.6319 6266.3553 302.1042 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: 3489.62, 0.00391767/step Wall: 3489.62, 0.00391767/step, 1.78319 hours remaining, 113.113281 MB of memory in use. ENERGY: 861400 628.5814 1836.1811 1976.8141 106.8020 2.4960 -1061.9045 0.0000 0.0000 2729.5548 6218.5249 301.4869 3488.9701 6250.4889 299.5535 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: 3490.4, 0.00391835/step Wall: 3490.4, 0.00391835/step, 1.78329 hours remaining, 113.113281 MB of memory in use. ENERGY: 861600 653.8618 1857.3960 1966.5201 103.1044 1.4841 -1114.0059 0.0000 0.0000 2717.3574 6185.7178 300.1397 3468.3605 6218.3474 300.2995 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: 3491.18, 0.0039116/step Wall: 3491.18, 0.0039116/step, 1.77999 hours remaining, 113.113281 MB of memory in use. ENERGY: 861800 656.5417 1815.9861 1972.7289 112.3193 1.3831 -1093.9441 0.0000 0.0000 2764.1587 6229.1735 305.3090 3465.0148 6265.6169 300.8764 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: 3491.97, 0.00391962/step Wall: 3491.97, 0.00391962/step, 1.78343 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: 862000 656.5340 1859.0794 1968.3539 105.5263 2.3655 -1104.8631 0.0000 0.0000 2757.0702 6244.0663 304.5261 3486.9961 6276.0271 302.9071 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: 3492.75, 0.0039231/step Wall: 3492.75, 0.0039231/step, 1.78479 hours remaining, 113.113281 MB of memory in use. ENERGY: 862200 686.7453 1809.1240 1990.4403 106.4522 0.7765 -1090.7933 0.0000 0.0000 2679.0813 6181.8263 295.9120 3502.7450 6214.2953 302.1867 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: 3493.53, 0.00392257/step Wall: 3493.53, 0.00392257/step, 1.78434 hours remaining, 113.113281 MB of memory in use. ENERGY: 862400 641.3396 1848.4223 1966.9570 107.0172 2.0628 -1105.4933 0.0000 0.0000 2690.0943 6150.3999 297.1284 3460.3056 6182.3249 297.8799 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: 3494.32, 0.00391313/step Wall: 3494.32, 0.00391313/step, 1.77982 hours remaining, 113.113281 MB of memory in use. ENERGY: 862600 649.7867 1846.0603 1960.1003 108.0779 1.3626 -1073.7288 0.0000 0.0000 2761.7356 6253.3947 305.0414 3491.6591 6286.3189 301.1900 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: 3495.1, 0.00392057/step Wall: 3495.1, 0.00392057/step, 1.78299 hours remaining, 113.113281 MB of memory in use. ENERGY: 862800 645.6208 1820.6531 1971.6333 101.4530 3.4900 -1079.2044 0.0000 0.0000 2773.3943 6237.0402 306.3291 3463.6458 6271.5825 302.8192 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: 3495.89, 0.00392041/step Wall: 3495.89, 0.00392041/step, 1.7827 hours remaining, 113.113281 MB of memory in use. ENERGY: 863000 670.9554 1849.1016 1983.9929 103.8798 1.8796 -1082.2947 0.0000 0.0000 2713.6441 6241.1586 299.7295 3527.5145 6272.4296 301.1317 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: 3496.67, 0.00392282/step Wall: 3496.67, 0.00392282/step, 1.78358 hours remaining, 113.113281 MB of memory in use. ENERGY: 863200 670.2700 1823.8125 1981.2802 103.4498 3.2779 -1094.8080 0.0000 0.0000 2757.2181 6244.5007 304.5424 3487.2825 6278.0257 301.5030 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: 3497.45, 0.0039238/step Wall: 3497.45, 0.0039238/step, 1.7838 hours remaining, 113.113281 MB of memory in use. ENERGY: 863400 627.6870 1884.8616 1966.6968 97.6034 2.2757 -1066.8047 0.0000 0.0000 2757.8368 6270.1565 304.6108 3512.3198 6303.9362 305.1801 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: 3498.24, 0.00391499/step Wall: 3498.24, 0.00391499/step, 1.77958 hours remaining, 113.113281 MB of memory in use. ENERGY: 863600 652.3789 1877.4568 1965.3500 116.6979 2.1764 -1098.9383 0.0000 0.0000 2794.2337 6309.3555 308.6309 3515.1218 6344.0919 307.2482 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: 3499.02, 0.0039237/step Wall: 3499.02, 0.0039237/step, 1.78332 hours remaining, 113.113281 MB of memory in use. ENERGY: 863800 644.9625 1906.8727 1991.4931 113.5481 1.8323 -1097.2129 0.0000 0.0000 2742.9151 6304.4109 302.9626 3561.4959 6337.6309 305.6299 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: 3499.81, 0.00392385/step Wall: 3499.81, 0.00392385/step, 1.78317 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: 864000 637.6402 1808.1739 1978.8485 114.1680 1.2388 -1038.2195 0.0000 0.0000 2766.6266 6268.4765 305.5816 3501.8499 6302.0349 304.9238 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: 3500.59, 0.00392203/step Wall: 3500.59, 0.00392203/step, 1.78213 hours remaining, 113.113281 MB of memory in use. ENERGY: 864200 677.8086 1814.4898 1942.8863 111.0178 2.5980 -1072.2456 0.0000 0.0000 2755.7711 6232.3260 304.3826 3476.5549 6266.9847 302.4568 LDB: ============= START OF LOAD BALANCING ============== 3503.29 LDB: ============== END OF LOAD BALANCING =============== 3503.29 LDB: =============== DONE WITH MIGRATION ================ 3503.29 LDB: ============= START OF LOAD BALANCING ============== 3503.68 LDB: ============== END OF LOAD BALANCING =============== 3503.68 LDB: =============== DONE WITH MIGRATION ================ 3503.68 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: 3501.38, 0.00391788/step Wall: 3501.38, 0.00391788/step, 1.78002 hours remaining, 113.113281 MB of memory in use. ENERGY: 864400 686.1222 1895.8666 1946.2701 116.4037 1.4254 -1129.6549 0.0000 0.0000 2764.0245 6280.4575 305.2942 3516.4330 6313.1078 303.7946 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: 3502.16, 0.00392157/step Wall: 3502.16, 0.00392156/step, 1.78148 hours remaining, 113.113281 MB of memory in use. ENERGY: 864600 680.8032 1841.2590 1958.4624 109.6817 2.0882 -1073.8675 0.0000 0.0000 2763.8237 6282.2507 305.2720 3518.4269 6314.0981 304.0170 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: 3502.94, 0.00392286/step Wall: 3502.94, 0.00392286/step, 1.78185 hours remaining, 113.113281 MB of memory in use. ENERGY: 864800 649.6404 1864.7637 1970.5074 116.7518 2.1027 -1078.8446 0.0000 0.0000 2740.2034 6265.1248 302.6631 3524.9214 6299.6186 305.0429 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: 3503.73, 0.00392213/step Wall: 3503.73, 0.00392213/step, 1.7813 hours remaining, 113.113281 MB of memory in use. ENERGY: 865000 648.7955 1829.0492 1972.9592 109.6053 2.4342 -1084.5080 0.0000 0.0000 2767.2399 6245.5753 305.6494 3478.3355 6281.4518 303.1963 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: 3504.51, 0.00392093/step Wall: 3504.51, 0.00392093/step, 1.78054 hours remaining, 113.113281 MB of memory in use. ENERGY: 865200 683.5946 1886.7960 1949.2885 123.7830 2.7015 -1120.8585 0.0000 0.0000 2761.2121 6286.5172 304.9836 3525.3051 6320.3977 305.2890 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: 3505.3, 0.0039127/step Wall: 3505.3, 0.0039127/step, 1.77658 hours remaining, 113.113281 MB of memory in use. ENERGY: 865400 620.3679 1898.6547 1959.5852 119.6876 2.7351 -1093.9614 0.0000 0.0000 2754.1711 6261.2401 304.2059 3507.0690 6293.4432 304.1514 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: 3506.08, 0.00392067/step Wall: 3506.08, 0.00392067/step, 1.77998 hours remaining, 113.113281 MB of memory in use. ENERGY: 865600 646.5108 1889.0833 1964.9135 107.4904 2.3995 -1125.1527 0.0000 0.0000 2755.2559 6240.5006 304.3257 3485.2448 6273.9009 302.6398 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: 3506.86, 0.00392443/step Wall: 3506.86, 0.00392443/step, 1.78147 hours remaining, 113.113281 MB of memory in use. ENERGY: 865800 638.7551 1898.3540 1965.6523 97.5205 3.7652 -1075.0263 0.0000 0.0000 2736.1684 6265.1892 302.2174 3529.0208 6299.7794 304.9252 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: 3507.65, 0.00392256/step Wall: 3507.65, 0.00392256/step, 1.7804 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: 866000 635.1762 1868.0445 1980.7999 104.6345 3.3348 -1075.3832 0.0000 0.0000 2835.6537 6352.2603 313.2058 3516.6066 6388.5305 307.3441 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: 3508.43, 0.0039254/step Wall: 3508.43, 0.0039254/step, 1.78148 hours remaining, 113.113281 MB of memory in use. ENERGY: 866200 662.6364 1907.6077 1966.7825 114.7154 2.2948 -1115.7338 0.0000 0.0000 2767.6684 6305.9714 305.6967 3538.3030 6340.6740 306.9685 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: 3509.22, 0.00391469/step Wall: 3509.22, 0.00391469/step, 1.7764 hours remaining, 113.113281 MB of memory in use. ENERGY: 866400 634.1529 1925.2650 1963.4971 105.3391 2.8595 -1098.4810 0.0000 0.0000 2731.6744 6264.3070 301.7210 3532.6326 6295.7158 304.6416 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: 3510, 0.00392271/step Wall: 3510, 0.00392271/step, 1.77982 hours remaining, 113.113281 MB of memory in use. ENERGY: 866600 679.6298 1863.0836 1961.8865 101.1947 0.6330 -1070.8548 0.0000 0.0000 2741.1569 6276.7297 302.7684 3535.5728 6311.0232 302.5465 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: 3510.79, 0.00392367/step Wall: 3510.79, 0.00392367/step, 1.78004 hours remaining, 113.113281 MB of memory in use. ENERGY: 866800 677.0978 1891.7579 1936.2096 104.4305 2.5317 -1091.2436 0.0000 0.0000 2719.9654 6240.7492 300.4278 3520.7838 6277.0106 302.5470 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: 3511.57, 0.00392162/step Wall: 3511.57, 0.00392162/step, 1.77889 hours remaining, 113.113281 MB of memory in use. ENERGY: 867000 671.6934 1840.8191 1958.4308 117.0041 2.3466 -1083.9266 0.0000 0.0000 2731.2090 6237.5766 301.6696 3506.3676 6270.2601 301.9975 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: 3512.35, 0.00391556/step Wall: 3512.35, 0.00391556/step, 1.77592 hours remaining, 113.113281 MB of memory in use. ENERGY: 867200 654.1273 1873.2995 1941.8972 105.6990 2.8211 -1102.2906 0.0000 0.0000 2759.7988 6235.3523 304.8275 3475.5535 6270.2814 301.7135 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: 3513.14, 0.00392191/step Wall: 3513.14, 0.00392191/step, 1.77859 hours remaining, 113.113281 MB of memory in use. ENERGY: 867400 618.2955 1914.2659 1959.5585 112.0666 1.2699 -1109.2818 0.0000 0.0000 2753.7110 6249.8856 304.1550 3496.1746 6281.8423 301.4726 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: 3513.92, 0.00392298/step Wall: 3513.92, 0.00392298/step, 1.77885 hours remaining, 113.113281 MB of memory in use. ENERGY: 867600 651.7844 1869.8674 1938.8022 109.4091 1.8498 -1101.8527 0.0000 0.0000 2746.5805 6216.4407 303.3675 3469.8602 6248.2593 301.6455 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: 3514.71, 0.00392383/step Wall: 3514.71, 0.00392383/step, 1.77902 hours remaining, 113.113281 MB of memory in use. ENERGY: 867800 677.0458 1857.1754 1961.1721 112.2143 3.3253 -1091.1914 0.0000 0.0000 2716.9745 6236.7159 300.0974 3519.7415 6272.6489 300.8325 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: 3515.49, 0.00392285/step Wall: 3515.49, 0.00392285/step, 1.77836 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: 868000 635.5345 1875.3493 1983.9826 102.1371 3.2330 -1101.2363 0.0000 0.0000 2692.3287 6191.3289 297.3752 3499.0002 6226.3762 301.0228 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: 3516.27, 0.00391517/step Wall: 3516.27, 0.00391517/step, 1.77466 hours remaining, 113.113281 MB of memory in use. ENERGY: 868200 650.8451 1895.7208 1948.9117 99.4457 1.2522 -1130.9393 0.0000 0.0000 2718.6929 6183.9291 300.2872 3465.2362 6216.2693 299.6853 LDB: ============= START OF LOAD BALANCING ============== 3518.98 LDB: ============== END OF LOAD BALANCING =============== 3518.98 LDB: =============== DONE WITH MIGRATION ================ 3518.98 LDB: ============= START OF LOAD BALANCING ============== 3519.37 LDB: ============== END OF LOAD BALANCING =============== 3519.37 LDB: =============== DONE WITH MIGRATION ================ 3519.37 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: 3517.06, 0.00394035/step Wall: 3517.06, 0.00394035/step, 1.78585 hours remaining, 113.113281 MB of memory in use. ENERGY: 868400 678.8984 1781.7948 1954.5779 107.0433 2.2828 -1089.7401 0.0000 0.0000 2710.8058 6145.6629 299.4161 3434.8571 6182.2098 297.4600 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: 3517.85, 0.00391891/step Wall: 3517.85, 0.00391891/step, 1.77592 hours remaining, 113.113281 MB of memory in use. ENERGY: 868600 640.7065 1850.4286 1940.1887 96.8874 1.3146 -1081.9803 0.0000 0.0000 2765.3561 6212.9015 305.4413 3447.5454 6246.2877 297.8785 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: 3518.63, 0.00392223/step Wall: 3518.63, 0.00392223/step, 1.7772 hours remaining, 113.113281 MB of memory in use. ENERGY: 868800 698.7718 1803.6381 1984.1483 107.2573 2.2247 -1093.7480 0.0000 0.0000 2676.9552 6179.2473 295.6772 3502.2922 6209.2040 301.5964 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: 3519.41, 0.00391219/step Wall: 3519.41, 0.00391219/step, 1.77244 hours remaining, 113.113281 MB of memory in use. ENERGY: 869000 676.2298 1874.4021 1952.4815 100.2052 1.7948 -1121.9619 0.0000 0.0000 2654.5074 6137.6588 293.1977 3483.1514 6171.3168 298.0197 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: 3520.2, 0.00391956/step Wall: 3520.2, 0.00391956/step, 1.77556 hours remaining, 113.113281 MB of memory in use. ENERGY: 869200 653.3592 1874.2339 1961.4492 94.9886 2.8078 -1152.0081 0.0000 0.0000 2721.0220 6155.8525 300.5445 3434.8306 6189.8953 296.9018 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: 3520.98, 0.00392439/step Wall: 3520.98, 0.00392439/step, 1.77753 hours remaining, 113.113281 MB of memory in use. ENERGY: 869400 653.9499 1848.5275 1953.8284 101.6830 2.5873 -1117.8125 0.0000 0.0000 2728.5522 6171.3159 301.3762 3442.7637 6206.0211 297.4284 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: 3521.77, 0.0039232/step Wall: 3521.77, 0.0039232/step, 1.77677 hours remaining, 113.113281 MB of memory in use. ENERGY: 869600 655.4924 1825.0793 1983.3647 107.5142 1.2280 -1111.9211 0.0000 0.0000 2718.6037 6179.3612 300.2774 3460.7574 6211.1898 299.6625 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: 3522.55, 0.0039212/step Wall: 3522.55, 0.0039212/step, 1.77565 hours remaining, 113.113281 MB of memory in use. ENERGY: 869800 671.2097 1878.3783 1969.7562 101.5769 1.0927 -1136.0968 0.0000 0.0000 2673.6106 6159.5276 295.3077 3485.9170 6193.5565 298.9530 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: 3523.33, 0.00391564/step Wall: 3523.33, 0.00391564/step, 1.77291 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: 870000 632.4097 1880.1902 1973.6837 101.9799 0.1199 -1125.8192 0.0000 0.0000 2660.4208 6122.9849 293.8509 3462.5641 6153.7718 298.3544 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 870000 WRITING COORDINATES TO DCD FILE MD.1.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: 3524.65, 0.00656272/step Wall: 3524.65, 0.00656272/step, 2.97109 hours remaining, 113.113281 MB of memory in use. ENERGY: 870200 654.1044 1830.1132 1966.4304 103.6136 1.4049 -1122.5712 0.0000 0.0000 2720.7035 6153.7989 300.5093 3433.0953 6184.5284 297.2051 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: 3525.43, 0.00391418/step Wall: 3525.43, 0.00391418/step, 1.77182 hours remaining, 113.113281 MB of memory in use. ENERGY: 870400 671.2719 1808.1229 2003.2205 123.3954 2.2573 -1124.1678 0.0000 0.0000 2693.4398 6177.5399 297.4979 3484.1001 6214.6285 298.9291 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: 3526.21, 0.00392271/step Wall: 3526.21, 0.00392271/step, 1.77546 hours remaining, 113.113281 MB of memory in use. ENERGY: 870600 612.9267 1836.3847 1957.3431 111.5215 2.1661 -1088.5990 0.0000 0.0000 2801.8890 6233.6321 309.4764 3431.7432 6270.5259 299.6295 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: 3527, 0.00392134/step Wall: 3527, 0.00392134/step, 1.77462 hours remaining, 113.113281 MB of memory in use. ENERGY: 870800 657.9181 1844.3427 1976.4319 119.3971 1.3136 -1093.2072 0.0000 0.0000 2718.0201 6224.2164 300.2129 3506.1962 6257.4510 300.4586 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: 3527.78, 0.00392282/step Wall: 3527.78, 0.00392282/step, 1.77508 hours remaining, 113.113281 MB of memory in use. ENERGY: 871000 663.8011 1837.6349 1953.1043 101.4226 1.4210 -1077.5293 0.0000 0.0000 2736.9415 6216.7960 302.3028 3479.8546 6248.8306 301.0512 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: 3528.57, 0.00392316/step Wall: 3528.57, 0.00392316/step, 1.77501 hours remaining, 113.113281 MB of memory in use. ENERGY: 871200 662.6620 1819.2365 1947.4289 110.3238 0.9538 -1098.7760 0.0000 0.0000 2743.2713 6185.1004 303.0020 3441.8291 6222.7331 300.5132 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: 3529.35, 0.00391595/step Wall: 3529.35, 0.00391595/step, 1.77153 hours remaining, 113.113281 MB of memory in use. ENERGY: 871400 655.0490 1875.0198 1985.7481 105.1576 1.4255 -1083.2569 0.0000 0.0000 2702.6760 6241.8190 298.5181 3539.1430 6272.5768 299.0273 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: 3530.14, 0.00392054/step Wall: 3530.14, 0.00392054/step, 1.77339 hours remaining, 113.113281 MB of memory in use. ENERGY: 871600 626.2128 1808.2206 1983.3608 108.6515 0.5050 -1096.1156 0.0000 0.0000 2765.1819 6196.0170 305.4220 3430.8351 6230.2160 300.0779 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: 3530.92, 0.00392058/step Wall: 3530.92, 0.00392058/step, 1.77319 hours remaining, 113.113281 MB of memory in use. ENERGY: 871800 639.6402 1857.9312 1962.2836 105.5935 2.6857 -1093.4116 0.0000 0.0000 2747.4236 6222.1459 303.4606 3474.7224 6256.0730 300.4599 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: 3531.7, 0.00392146/step Wall: 3531.7, 0.00392146/step, 1.77337 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: 872000 651.7032 1803.6053 1977.9039 116.9052 0.6508 -1067.7245 0.0000 0.0000 2734.4559 6217.4999 302.0283 3483.0440 6250.6209 299.8942 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: 3532.49, 0.00392225/step Wall: 3532.49, 0.00392225/step, 1.77351 hours remaining, 113.113281 MB of memory in use. ENERGY: 872200 653.1432 1871.8496 1982.9787 109.4255 2.2564 -1102.6662 0.0000 0.0000 2717.1058 6234.0930 300.1119 3516.9871 6264.4779 301.6954 LDB: ============= START OF LOAD BALANCING ============== 3535.19 LDB: ============== END OF LOAD BALANCING =============== 3535.19 LDB: =============== DONE WITH MIGRATION ================ 3535.19 LDB: ============= START OF LOAD BALANCING ============== 3535.58 LDB: ============== END OF LOAD BALANCING =============== 3535.58 LDB: =============== DONE WITH MIGRATION ================ 3535.58 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: 3533.27, 0.00391805/step Wall: 3533.27, 0.00391806/step, 1.7714 hours remaining, 113.113281 MB of memory in use. ENERGY: 872400 686.0195 1834.8203 1960.1310 109.7672 2.5633 -1104.5857 0.0000 0.0000 2707.0445 6195.7602 299.0006 3488.7157 6227.3382 301.1312 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: 3534.06, 0.00392043/step Wall: 3534.06, 0.00392043/step, 1.77225 hours remaining, 113.113281 MB of memory in use. ENERGY: 872600 659.7859 1865.4292 1924.1673 109.5961 -0.2200 -1045.6496 0.0000 0.0000 2731.3113 6244.4202 301.6809 3513.1088 6275.2323 300.6265 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: 3534.84, 0.00392276/step Wall: 3534.84, 0.00392276/step, 1.77309 hours remaining, 113.113281 MB of memory in use. ENERGY: 872800 654.9568 1852.0037 1955.2667 115.5897 -1.5241 -1069.6978 0.0000 0.0000 2715.2713 6221.8663 299.9093 3506.5950 6254.9926 299.5967 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: 3535.62, 0.00392064/step Wall: 3535.62, 0.00392064/step, 1.77191 hours remaining, 113.113281 MB of memory in use. ENERGY: 873000 675.8757 1863.1538 1970.3023 120.6016 -0.3645 -1090.0880 0.0000 0.0000 2714.9382 6254.4190 299.8725 3539.4808 6286.0331 299.8649 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: 3536.41, 0.00391352/step Wall: 3536.41, 0.00391352/step, 1.76848 hours remaining, 113.113281 MB of memory in use. ENERGY: 873200 695.4014 1845.6230 1983.2881 106.1647 1.2704 -1121.2131 0.0000 0.0000 2712.4112 6222.9459 299.5934 3510.5347 6254.3348 301.3576 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: 3537.19, 0.00391883/step Wall: 3537.19, 0.00391883/step, 1.77066 hours remaining, 113.113281 MB of memory in use. ENERGY: 873400 649.5111 1889.8638 1992.1782 107.7324 2.0881 -1123.0793 0.0000 0.0000 2715.5123 6233.8065 299.9359 3518.2942 6263.1726 301.7141 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: 3537.97, 0.00391972/step Wall: 3537.97, 0.00391972/step, 1.77084 hours remaining, 113.113281 MB of memory in use. ENERGY: 873600 640.1253 1852.0440 2002.0142 109.8090 0.8384 -1128.4993 0.0000 0.0000 2731.7918 6208.1233 301.7340 3476.3315 6240.7753 301.4413 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: 3538.76, 0.00391992/step Wall: 3538.76, 0.00391992/step, 1.77071 hours remaining, 113.113281 MB of memory in use. ENERGY: 873800 634.1703 1869.0157 1961.9975 109.1406 1.1102 -1078.1666 0.0000 0.0000 2695.0779 6192.3455 297.6789 3497.2676 6223.5271 300.7011 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: 3539.54, 0.00391887/step Wall: 3539.54, 0.00391887/step, 1.77002 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: 874000 636.9212 1843.1972 1991.1414 107.8509 0.4619 -1085.7943 0.0000 0.0000 2702.0181 6195.7962 298.4454 3493.7781 6227.6001 299.9385 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: 3540.33, 0.0039126/step Wall: 3540.33, 0.0039126/step, 1.76697 hours remaining, 113.113281 MB of memory in use. ENERGY: 874200 660.4487 1775.2584 1950.8113 113.5060 1.1276 -1068.6399 0.0000 0.0000 2705.0538 6137.5658 298.7807 3432.5121 6172.0626 298.1160 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: 3541.11, 0.00391931/step Wall: 3541.11, 0.00391932/step, 1.76979 hours remaining, 113.113281 MB of memory in use. ENERGY: 874400 664.3801 1838.6782 1963.6953 109.1621 0.6120 -1091.1613 0.0000 0.0000 2648.0519 6133.4183 292.4847 3485.3664 6165.6269 296.6189 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: 3541.89, 0.00391948/step Wall: 3541.89, 0.00391948/step, 1.76965 hours remaining, 113.113281 MB of memory in use. ENERGY: 874600 672.4937 1809.7116 1964.5277 107.9617 1.6508 -1118.7390 0.0000 0.0000 2710.0082 6147.6147 299.3280 3437.6065 6178.0475 296.1147 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: 3542.68, 0.00392081/step Wall: 3542.68, 0.00392081/step, 1.77003 hours remaining, 113.113281 MB of memory in use. ENERGY: 874800 652.6644 1868.1052 1953.4710 123.5000 0.9870 -1092.2126 0.0000 0.0000 2684.2154 6190.7302 296.4791 3506.5149 6223.0131 299.0065 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: 3543.46, 0.0039148/step Wall: 3543.46, 0.0039148/step, 1.7671 hours remaining, 113.113281 MB of memory in use. ENERGY: 875000 637.0195 1873.7799 1952.9115 100.3599 0.8517 -1124.0288 0.0000 0.0000 2721.2611 6162.1548 300.5709 3440.8938 6194.9832 299.2961 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: 3544.24, 0.00391927/step Wall: 3544.24, 0.00391927/step, 1.7689 hours remaining, 113.113281 MB of memory in use. ENERGY: 875200 658.3673 1864.2579 1972.7588 109.0543 -0.5690 -1134.8000 0.0000 0.0000 2691.2936 6160.3629 297.2609 3469.0693 6195.5880 298.1198 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: 3545.03, 0.00392118/step Wall: 3545.03, 0.00392118/step, 1.76954 hours remaining, 113.113281 MB of memory in use. ENERGY: 875400 637.9705 1866.9796 1963.5942 104.6855 0.3131 -1094.2150 0.0000 0.0000 2727.8583 6207.1862 301.2995 3479.3279 6241.1279 299.9971 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: 3545.81, 0.00391971/step Wall: 3545.81, 0.00391971/step, 1.76866 hours remaining, 113.113281 MB of memory in use. ENERGY: 875600 649.9809 1850.5139 1990.6382 107.6898 0.5560 -1138.4909 0.0000 0.0000 2737.2067 6198.0945 302.3321 3460.8878 6230.3138 300.2792 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: 3546.6, 0.00393934/step Wall: 3546.6, 0.00393934/step, 1.7773 hours remaining, 113.113281 MB of memory in use. ENERGY: 875800 657.2808 1863.2541 1970.9518 100.5389 0.6577 -1111.7675 0.0000 0.0000 2749.5221 6230.4378 303.6924 3480.9157 6265.2660 300.8794 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: 3547.38, 0.00391552/step Wall: 3547.38, 0.00391552/step, 1.76634 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: 876000 620.2579 1848.9152 2006.2798 109.8338 -0.2177 -1082.4363 0.0000 0.0000 2735.6037 6238.2364 302.1550 3502.6327 6273.2408 302.4603 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: 3548.17, 0.0039208/step Wall: 3548.17, 0.0039208/step, 1.7685 hours remaining, 113.113281 MB of memory in use. ENERGY: 876200 644.2694 1874.2665 1997.9993 113.5066 1.1370 -1135.3998 0.0000 0.0000 2726.5364 6222.3152 301.1535 3495.7788 6252.9301 302.5549 LDB: ============= START OF LOAD BALANCING ============== 3550.87 LDB: ============== END OF LOAD BALANCING =============== 3550.87 LDB: =============== DONE WITH MIGRATION ================ 3550.87 LDB: ============= START OF LOAD BALANCING ============== 3551.26 LDB: ============== END OF LOAD BALANCING =============== 3551.26 LDB: =============== DONE WITH MIGRATION ================ 3551.26 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: 3548.95, 0.00392477/step Wall: 3548.95, 0.00392477/step, 1.77007 hours remaining, 113.113281 MB of memory in use. ENERGY: 876400 674.0254 1843.7773 1964.8121 117.8047 1.2750 -1160.4878 0.0000 0.0000 2765.1183 6206.3251 305.4150 3441.2068 6239.8635 300.2253 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: 3549.74, 0.0039197/step Wall: 3549.74, 0.0039197/step, 1.76757 hours remaining, 113.113281 MB of memory in use. ENERGY: 876600 616.1652 1822.0643 1973.5770 105.2822 0.8943 -1104.3991 0.0000 0.0000 2788.8033 6202.3873 308.0311 3413.5840 6236.3184 301.4123 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: 3550.52, 0.00392059/step Wall: 3550.52, 0.00392059/step, 1.76775 hours remaining, 113.113281 MB of memory in use. ENERGY: 876800 656.5368 1864.3492 1997.0809 113.2884 1.9441 -1116.9440 0.0000 0.0000 2708.6085 6224.8638 299.1733 3516.2553 6257.2937 301.1098 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: 3551.3, 0.00391337/step Wall: 3551.3, 0.00391337/step, 1.76428 hours remaining, 113.113281 MB of memory in use. ENERGY: 877000 646.7255 1859.9027 1971.7480 112.0809 0.7264 -1106.4414 0.0000 0.0000 2741.0341 6225.7763 302.7549 3484.7421 6258.7657 303.6545 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: 3552.09, 0.00392033/step Wall: 3552.09, 0.00392033/step, 1.7672 hours remaining, 113.113281 MB of memory in use. ENERGY: 877200 648.6260 1854.0743 1981.4879 109.5729 0.5262 -1082.9868 0.0000 0.0000 2682.4313 6193.7318 296.2820 3511.3005 6226.7545 299.8766 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: 3552.87, 0.00391961/step Wall: 3552.87, 0.00391962/step, 1.76666 hours remaining, 113.113281 MB of memory in use. ENERGY: 877400 648.7767 1821.3144 2003.6906 101.7107 -0.7155 -1066.9600 0.0000 0.0000 2742.9436 6250.7605 302.9658 3507.8169 6284.8765 300.5058 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: 3553.65, 0.00391863/step Wall: 3553.65, 0.00391863/step, 1.766 hours remaining, 113.113281 MB of memory in use. ENERGY: 877600 638.7595 1808.5020 1975.8108 118.1916 -0.1820 -1086.0361 0.0000 0.0000 2772.1126 6227.1585 306.1876 3455.0459 6264.6956 303.0896 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: 3554.44, 0.00391343/step Wall: 3554.44, 0.00391342/step, 1.76343 hours remaining, 113.113281 MB of memory in use. ENERGY: 877800 624.6381 1875.3739 1974.4026 115.0391 0.7952 -1099.4177 0.0000 0.0000 2714.4203 6205.2513 299.8153 3490.8310 6235.2697 301.2814 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: 3555.22, 0.00391788/step Wall: 3555.22, 0.00391789/step, 1.76523 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: 878000 614.9254 1839.4115 1948.4642 106.1339 0.7166 -1053.2483 0.0000 0.0000 2730.7585 6187.1617 301.6199 3456.4032 6221.5360 298.5121 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: 3556, 0.00391811/step Wall: 3556, 0.00391811/step, 1.76511 hours remaining, 113.113281 MB of memory in use. ENERGY: 878200 638.0578 1838.2255 1988.1550 117.5142 0.7748 -1070.2201 0.0000 0.0000 2682.1639 6194.6712 296.2525 3512.5073 6229.4081 297.2549 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: 3556.79, 0.00392328/step Wall: 3556.79, 0.00392328/step, 1.76722 hours remaining, 113.113281 MB of memory in use. ENERGY: 878400 650.7003 1877.9172 1970.5587 109.4075 0.6794 -1120.8902 0.0000 0.0000 2728.4839 6216.8567 301.3686 3488.3728 6248.0648 299.4943 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: 3557.57, 0.00391689/step Wall: 3557.57, 0.00391689/step, 1.76412 hours remaining, 113.113281 MB of memory in use. ENERGY: 878600 654.0451 1869.4755 1970.6217 105.2540 0.7731 -1111.5853 0.0000 0.0000 2686.5567 6175.1410 296.7377 3488.5843 6205.8577 298.9505 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: 3558.35, 0.00391285/step Wall: 3558.35, 0.00391285/step, 1.76209 hours remaining, 113.113281 MB of memory in use. ENERGY: 878800 692.8423 1839.0515 1997.8030 110.2952 1.0469 -1119.5305 0.0000 0.0000 2685.8120 6207.3205 296.6554 3521.5085 6239.7310 298.8845 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: 3559.14, 0.00391631/step Wall: 3559.14, 0.00391631/step, 1.76343 hours remaining, 113.113281 MB of memory in use. ENERGY: 879000 622.7974 1899.6457 1961.8925 120.9566 1.1511 -1097.3875 0.0000 0.0000 2679.0447 6188.1005 295.9079 3509.0558 6218.9147 300.5065 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: 3559.92, 0.0039172/step Wall: 3559.92, 0.0039172/step, 1.76361 hours remaining, 113.113281 MB of memory in use. ENERGY: 879200 623.5628 1876.4362 1986.8016 104.4392 2.7374 -1073.0951 0.0000 0.0000 2725.7862 6246.6682 301.0707 3520.8820 6281.7792 301.1275 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: 3560.71, 0.00391709/step Wall: 3560.71, 0.00391709/step, 1.76334 hours remaining, 113.113281 MB of memory in use. ENERGY: 879400 667.2142 1809.5731 1976.4671 118.2001 -0.0950 -1106.3329 0.0000 0.0000 2771.1906 6236.2171 306.0857 3465.0265 6270.2557 301.4922 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: 3561.49, 0.00391263/step Wall: 3561.49, 0.00391263/step, 1.76112 hours remaining, 113.113281 MB of memory in use. ENERGY: 879600 627.7238 1893.4647 1968.4904 102.2113 1.3669 -1101.8708 0.0000 0.0000 2732.5992 6223.9855 301.8232 3491.3863 6258.7464 301.5104 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: 3562.27, 0.00391745/step Wall: 3562.27, 0.00391745/step, 1.76307 hours remaining, 113.113281 MB of memory in use. ENERGY: 879800 661.5852 1862.8096 1946.8709 109.0425 1.2757 -1115.1604 0.0000 0.0000 2727.0062 6193.4296 301.2054 3466.4235 6226.6688 300.5421 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: 3563.05, 0.00391917/step Wall: 3563.05, 0.00391917/step, 1.76362 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: 880000 677.0369 1869.2688 1955.6776 109.1427 1.7672 -1122.3481 0.0000 0.0000 2673.9153 6164.4604 295.3414 3490.5451 6196.7644 298.6357 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 880000 WRITING COORDINATES TO DCD FILE MD.1.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: 3564.27, 0.00607607/step Wall: 3564.27, 0.00607607/step, 2.73389 hours remaining, 113.113281 MB of memory in use. ENERGY: 880200 692.2747 1861.8379 1938.6933 109.8812 2.1236 -1138.9261 0.0000 0.0000 2689.1904 6155.0750 297.0286 3465.8846 6188.3915 298.6054 LDB: ============= START OF LOAD BALANCING ============== 3566.97 LDB: ============== END OF LOAD BALANCING =============== 3566.97 LDB: =============== DONE WITH MIGRATION ================ 3566.97 LDB: ============= START OF LOAD BALANCING ============== 3567.36 LDB: ============== END OF LOAD BALANCING =============== 3567.36 LDB: =============== DONE WITH MIGRATION ================ 3567.36 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: 3565.05, 0.00392312/step Wall: 3565.05, 0.00392313/step, 1.76497 hours remaining, 113.113281 MB of memory in use. ENERGY: 880400 672.2661 1878.2212 1938.7337 100.3283 1.9611 -1113.8888 0.0000 0.0000 2648.3143 6125.9360 292.5137 3477.6217 6158.7782 297.2775 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: 3565.84, 0.00391881/step Wall: 3565.84, 0.00391881/step, 1.76281 hours remaining, 113.113281 MB of memory in use. ENERGY: 880600 646.3725 1853.0995 1952.6500 110.3158 2.4672 -1142.3943 0.0000 0.0000 2656.6465 6079.1571 293.4340 3422.5106 6112.9761 295.3190 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: 3566.62, 0.0039186/step Wall: 3566.62, 0.0039186/step, 1.7625 hours remaining, 113.113281 MB of memory in use. ENERGY: 880800 653.3818 1856.3843 1939.4730 110.3618 1.4339 -1112.5284 0.0000 0.0000 2629.8809 6078.3873 290.4777 3448.5064 6109.3550 296.0131 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: 3567.4, 0.00391356/step Wall: 3567.4, 0.00391356/step, 1.76002 hours remaining, 113.113281 MB of memory in use. ENERGY: 881000 621.6912 1803.9025 1957.7722 110.4881 2.2210 -1116.3076 0.0000 0.0000 2672.2592 6052.0267 295.1585 3379.7675 6086.4788 293.1646 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: 3568.19, 0.00391921/step Wall: 3568.19, 0.00391921/step, 1.76234 hours remaining, 113.113281 MB of memory in use. ENERGY: 881200 624.8594 1887.2567 1973.0024 109.9986 2.4206 -1077.8244 0.0000 0.0000 2580.3432 6100.0565 285.0061 3519.7133 6132.2614 293.6681 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: 3568.97, 0.00391894/step Wall: 3568.97, 0.00391894/step, 1.762 hours remaining, 113.113281 MB of memory in use. ENERGY: 881400 615.5797 1855.0388 1942.6664 115.2825 2.4702 -1097.7581 0.0000 0.0000 2668.7626 6102.0422 294.7723 3433.2796 6132.8043 291.6557 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: 3569.76, 0.00391757/step Wall: 3569.76, 0.00391757/step, 1.76117 hours remaining, 113.113281 MB of memory in use. ENERGY: 881600 653.1620 1866.1545 1968.4944 108.6120 1.3226 -1150.6365 0.0000 0.0000 2734.4441 6181.5531 302.0270 3447.1090 6216.0785 297.1248 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: 3570.54, 0.0039187/step Wall: 3570.54, 0.0039187/step, 1.76145 hours remaining, 113.113281 MB of memory in use. ENERGY: 881800 661.2317 1866.4162 1945.9589 119.6402 2.3642 -1142.6904 0.0000 0.0000 2655.8338 6108.7547 293.3442 3452.9209 6136.8938 297.7258 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: 3571.32, 0.00391256/step Wall: 3571.32, 0.00391257/step, 1.75848 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: 882000 632.6717 1846.4665 1938.4464 94.6384 1.8439 -1089.3616 0.0000 0.0000 2710.7293 6135.4345 299.4076 3424.7052 6165.9422 295.6699 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: 3572.11, 0.00391927/step Wall: 3572.11, 0.00391927/step, 1.76127 hours remaining, 113.113281 MB of memory in use. ENERGY: 882200 637.2849 1867.9762 1983.2709 112.8449 1.0045 -1116.3968 0.0000 0.0000 2661.1258 6147.1103 293.9288 3485.9845 6178.9652 297.5067 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: 3572.89, 0.00391977/step Wall: 3572.89, 0.00391977/step, 1.76129 hours remaining, 113.113281 MB of memory in use. ENERGY: 882400 693.9569 1850.9948 1964.2124 119.3900 1.7254 -1140.1648 0.0000 0.0000 2660.8905 6151.0052 293.9028 3490.1147 6179.6368 299.0695 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: 3573.67, 0.00391982/step Wall: 3573.67, 0.00391982/step, 1.76109 hours remaining, 113.113281 MB of memory in use. ENERGY: 882600 667.1539 1888.5418 1938.0640 87.0559 2.9249 -1084.2290 0.0000 0.0000 2698.3220 6197.8335 298.0372 3499.5115 6229.4981 299.0969 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: 3574.46, 0.00391415/step Wall: 3574.46, 0.00391415/step, 1.75832 hours remaining, 113.113281 MB of memory in use. ENERGY: 882800 651.9862 1829.7339 1967.2484 125.0377 2.7633 -1081.7330 0.0000 0.0000 2735.8999 6230.9364 302.1878 3495.0365 6263.9058 299.3316 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: 3575.24, 0.00391909/step Wall: 3575.24, 0.00391909/step, 1.76032 hours remaining, 113.113281 MB of memory in use. ENERGY: 883000 658.9142 1842.8816 1958.9672 113.6495 1.9625 -1067.7745 0.0000 0.0000 2734.7962 6243.3968 302.0659 3508.6006 6277.6450 300.8854 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: 3576.02, 0.00391977/step Wall: 3576.02, 0.00391976/step, 1.76041 hours remaining, 113.113281 MB of memory in use. ENERGY: 883200 645.7699 1882.7937 1958.2196 103.3883 2.3721 -1097.8418 0.0000 0.0000 2740.4394 6235.1412 302.6892 3494.7019 6270.2972 302.6573 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: 3576.81, 0.00391904/step Wall: 3576.81, 0.00391904/step, 1.75987 hours remaining, 113.113281 MB of memory in use. ENERGY: 883400 637.2765 1874.8637 1957.0065 102.6012 1.4760 -1095.7326 0.0000 0.0000 2743.7364 6221.2276 303.0533 3477.4913 6255.8561 300.7633 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: 3577.59, 0.0039203/step Wall: 3577.59, 0.0039203/step, 1.76021 hours remaining, 113.113281 MB of memory in use. ENERGY: 883600 648.7893 1904.7511 1934.2774 110.7155 1.7265 -1088.4371 0.0000 0.0000 2734.1062 6245.9288 301.9896 3511.8227 6278.4145 301.3093 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: 3578.45, 0.00428909/step Wall: 3578.45, 0.00428909/step, 1.92556 hours remaining, 113.113281 MB of memory in use. ENERGY: 883800 650.0398 1870.3769 1933.5698 115.6489 1.1119 -1080.3250 0.0000 0.0000 2773.1204 6263.5427 306.2989 3490.4223 6299.3413 303.7596 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: 3579.24, 0.00392408/step Wall: 3579.24, 0.00392408/step, 1.76147 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: 884000 660.7692 1835.7720 1978.2175 99.8489 2.3673 -1130.7227 0.0000 0.0000 2784.6881 6230.9404 307.5766 3446.2523 6267.4777 303.8789 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: 3580.02, 0.00391935/step Wall: 3580.02, 0.00391935/step, 1.75913 hours remaining, 113.113281 MB of memory in use. ENERGY: 884200 657.5164 1862.0269 1965.8798 113.5911 1.5680 -1138.8306 0.0000 0.0000 2746.8761 6208.6276 303.4001 3461.7515 6241.4182 300.3005 LDB: ============= START OF LOAD BALANCING ============== 3582.72 LDB: ============== END OF LOAD BALANCING =============== 3582.72 LDB: =============== DONE WITH MIGRATION ================ 3582.72 LDB: ============= START OF LOAD BALANCING ============== 3583.11 LDB: ============== END OF LOAD BALANCING =============== 3583.11 LDB: =============== DONE WITH MIGRATION ================ 3583.11 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: 3580.8, 0.00392427/step Wall: 3580.8, 0.00392427/step, 1.76113 hours remaining, 113.113281 MB of memory in use. ENERGY: 884400 676.7750 1933.8387 1969.3330 108.7985 1.6549 -1120.8285 0.0000 0.0000 2674.9831 6244.5546 295.4593 3569.5716 6276.3347 301.8569 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: 3581.59, 0.00391986/step Wall: 3581.59, 0.00391986/step, 1.75893 hours remaining, 113.113281 MB of memory in use. ENERGY: 884600 687.0269 1888.0844 1960.2531 113.0002 2.6943 -1100.5897 0.0000 0.0000 2720.6653 6271.1345 300.5051 3550.4692 6306.0235 302.8486 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: 3582.37, 0.00391386/step Wall: 3582.37, 0.00391386/step, 1.75602 hours remaining, 113.113281 MB of memory in use. ENERGY: 884800 655.6979 1867.6506 1935.6051 111.1577 2.1529 -1110.7935 0.0000 0.0000 2731.2369 6192.7077 301.6727 3461.4708 6226.6494 301.6288 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: 3583.15, 0.00391971/step Wall: 3583.15, 0.00391971/step, 1.75842 hours remaining, 113.113281 MB of memory in use. ENERGY: 885000 644.6469 1861.1152 1964.4866 100.4213 0.4552 -1124.8902 0.0000 0.0000 2725.5690 6171.8040 301.0467 3446.2350 6204.0726 300.6805 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: 3583.94, 0.00392065/step Wall: 3583.94, 0.00392065/step, 1.75863 hours remaining, 113.113281 MB of memory in use. ENERGY: 885200 632.3033 1859.6005 2005.9263 112.2452 2.0181 -1135.4094 0.0000 0.0000 2770.6805 6247.3645 306.0294 3476.6840 6281.8687 301.6262 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: 3584.72, 0.00392066/step Wall: 3584.72, 0.00392066/step, 1.75841 hours remaining, 113.113281 MB of memory in use. ENERGY: 885400 678.3697 1850.3577 2016.5031 105.7462 1.0536 -1116.5402 0.0000 0.0000 2746.0170 6281.5071 303.3052 3535.4901 6313.8001 303.3389 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: 3585.51, 0.00391332/step Wall: 3585.51, 0.00391332/step, 1.75491 hours remaining, 113.113281 MB of memory in use. ENERGY: 885600 674.1223 1817.4542 1978.4156 114.8058 0.4649 -1093.3553 0.0000 0.0000 2764.2200 6256.1275 305.3158 3491.9075 6291.1455 303.6256 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: 3586.29, 0.00391899/step Wall: 3586.29, 0.00391899/step, 1.75723 hours remaining, 113.113281 MB of memory in use. ENERGY: 885800 635.9266 1865.6429 1984.5962 122.8220 0.5210 -1108.9962 0.0000 0.0000 2706.4012 6206.9136 298.9295 3500.5125 6237.5173 300.6331 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: 3587.07, 0.0039202/step Wall: 3587.07, 0.0039202/step, 1.75755 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: 886000 653.2816 1808.4960 1964.9898 109.4598 -1.0231 -1120.8145 0.0000 0.0000 2731.3727 6145.7624 301.6877 3414.3896 6180.9092 299.9599 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: 3587.86, 0.00391973/step Wall: 3587.86, 0.00391973/step, 1.75713 hours remaining, 113.113281 MB of memory in use. ENERGY: 886200 686.0274 1857.1151 1934.2101 109.2407 1.1006 -1102.4551 0.0000 0.0000 2670.5742 6155.8131 294.9724 3485.2389 6187.5054 298.5590 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: 3588.64, 0.0039219/step Wall: 3588.64, 0.0039219/step, 1.75788 hours remaining, 113.113281 MB of memory in use. ENERGY: 886400 681.7700 1832.4863 1981.2374 111.6114 2.2542 -1131.1829 0.0000 0.0000 2721.3684 6199.5447 300.5827 3478.1763 6235.1143 299.4226 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: 3589.42, 0.00391339/step Wall: 3589.42, 0.00391339/step, 1.75385 hours remaining, 113.113281 MB of memory in use. ENERGY: 886600 711.7709 1854.4461 1968.4187 111.5944 1.9311 -1087.3989 0.0000 0.0000 2687.4885 6248.2508 296.8406 3560.7623 6279.0649 301.3640 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: 3590.21, 0.00391913/step Wall: 3590.21, 0.00391913/step, 1.75621 hours remaining, 113.113281 MB of memory in use. ENERGY: 886800 648.8512 1867.6867 1961.2314 110.9683 1.3970 -1097.4829 0.0000 0.0000 2718.4053 6211.0570 300.2554 3492.6517 6242.8341 302.0816 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: 3590.99, 0.00391976/step Wall: 3590.99, 0.00391976/step, 1.75627 hours remaining, 113.113281 MB of memory in use. ENERGY: 887000 674.6902 1827.0897 1977.3215 119.8477 1.3042 -1076.6151 0.0000 0.0000 2707.8006 6231.4388 299.0841 3523.6382 6263.0244 301.5591 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: 3591.78, 0.00391923/step Wall: 3591.78, 0.00391923/step, 1.75582 hours remaining, 113.113281 MB of memory in use. ENERGY: 887200 682.7331 1868.5993 1960.9214 110.9352 1.4763 -1072.3343 0.0000 0.0000 2724.1463 6276.4773 300.8896 3552.3309 6308.8619 302.5390 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: 3592.56, 0.00391317/step Wall: 3592.56, 0.00391317/step, 1.75288 hours remaining, 113.113281 MB of memory in use. ENERGY: 887400 649.1866 1884.3263 1954.0314 109.1260 2.0441 -1087.3579 0.0000 0.0000 2749.3791 6260.7356 303.6766 3511.3565 6295.4654 302.7208 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: 3593.34, 0.00391995/step Wall: 3593.34, 0.00391995/step, 1.7557 hours remaining, 113.113281 MB of memory in use. ENERGY: 887600 674.5236 1858.9143 1973.7055 130.4908 2.1777 -1117.9624 0.0000 0.0000 2729.6146 6251.4641 301.4935 3521.8495 6281.3975 303.6791 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: 3594.13, 0.0039224/step Wall: 3594.13, 0.0039224/step, 1.75658 hours remaining, 113.113281 MB of memory in use. ENERGY: 887800 652.4653 1871.4918 1956.0743 108.4561 2.1189 -1055.6862 0.0000 0.0000 2687.3082 6222.2284 296.8207 3534.9202 6254.4103 302.5198 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: 3594.91, 0.00392312/step Wall: 3594.91, 0.00392312/step, 1.75669 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: 888000 657.2406 1895.1314 1962.3959 119.3246 1.8371 -1124.7375 0.0000 0.0000 2720.2242 6231.4162 300.4563 3511.1920 6265.2716 301.2583 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: 3595.7, 0.00392049/step Wall: 3595.7, 0.00392049/step, 1.75529 hours remaining, 113.113281 MB of memory in use. ENERGY: 888200 626.3056 1920.2824 1961.6667 117.5365 1.8871 -1089.6180 0.0000 0.0000 2704.7226 6242.7829 298.7441 3538.0603 6273.2375 301.6658 LDB: ============= START OF LOAD BALANCING ============== 3598.4 LDB: ============== END OF LOAD BALANCING =============== 3598.4 LDB: =============== DONE WITH MIGRATION ================ 3598.4 LDB: ============= START OF LOAD BALANCING ============== 3598.79 LDB: ============== END OF LOAD BALANCING =============== 3598.79 LDB: =============== DONE WITH MIGRATION ================ 3598.79 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: 3596.48, 0.00391822/step Wall: 3596.48, 0.00391822/step, 1.75405 hours remaining, 113.113281 MB of memory in use. ENERGY: 888400 676.5827 1883.2388 1934.9470 109.5981 1.8899 -1107.5897 0.0000 0.0000 2776.7826 6275.4494 306.7034 3498.6668 6309.8759 304.6747 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: 3597.27, 0.00393482/step Wall: 3597.27, 0.00393482/step, 1.76127 hours remaining, 113.113281 MB of memory in use. ENERGY: 888600 654.2099 1872.4881 1959.0591 106.4226 0.4606 -1065.5174 0.0000 0.0000 2704.6363 6231.7592 298.7346 3527.1229 6262.8207 301.6069 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: 3598.05, 0.0039203/step Wall: 3598.05, 0.0039203/step, 1.75455 hours remaining, 113.113281 MB of memory in use. ENERGY: 888800 615.1059 1854.8387 1982.8223 115.1217 1.2212 -1083.7240 0.0000 0.0000 2787.6343 6273.0201 307.9020 3485.3859 6307.5304 303.2321 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: 3598.84, 0.00392397/step Wall: 3598.84, 0.00392397/step, 1.75598 hours remaining, 113.113281 MB of memory in use. ENERGY: 889000 679.0128 1845.9449 1954.8255 103.8430 1.5424 -1106.8264 0.0000 0.0000 2740.7991 6219.1413 302.7289 3478.3422 6252.5326 302.1336 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: 3599.62, 0.00392048/step Wall: 3599.62, 0.00392048/step, 1.7542 hours remaining, 113.113281 MB of memory in use. ENERGY: 889200 666.6921 1878.8649 1952.1523 101.1530 1.5922 -1088.1385 0.0000 0.0000 2691.7991 6204.1152 297.3167 3512.3161 6237.2837 300.5508 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: 3600.4, 0.00391598/step Wall: 3600.4, 0.00391598/step, 1.75197 hours remaining, 113.113281 MB of memory in use. ENERGY: 889400 633.7973 1807.8017 1983.1265 108.8469 2.4383 -1089.4766 0.0000 0.0000 2692.0466 6138.5808 297.3440 3446.5342 6171.8212 299.1168 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: 3601.19, 0.00392093/step Wall: 3601.19, 0.00392093/step, 1.75396 hours remaining, 113.113281 MB of memory in use. ENERGY: 889600 671.6092 1792.1147 1979.8999 121.7855 1.9716 -1116.9862 0.0000 0.0000 2677.4234 6127.8182 295.7289 3450.3947 6162.3998 296.2221 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: 3601.97, 0.003937/step Wall: 3601.97, 0.003937/step, 1.76093 hours remaining, 113.113281 MB of memory in use. ENERGY: 889800 652.2980 1796.2780 1956.4991 117.6258 0.9907 -1067.7542 0.0000 0.0000 2640.7184 6096.6559 291.6747 3455.9374 6125.4983 297.0279 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: 3602.76, 0.00393268/step Wall: 3602.76, 0.00393268/step, 1.75878 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: 890000 689.0205 1785.6999 1969.7427 99.2080 -0.1993 -1061.8916 0.0000 0.0000 2681.8918 6163.4721 296.2224 3481.5803 6194.5551 296.3328 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 890000 WRITING COORDINATES TO DCD FILE MD.1.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: 3603.6, 0.00421442/step Wall: 3603.6, 0.00421442/step, 1.88455 hours remaining, 113.113281 MB of memory in use. ENERGY: 890200 635.7799 1827.8218 1979.9670 99.2436 0.0018 -1090.6006 0.0000 0.0000 2715.0858 6167.2994 299.8888 3452.2136 6200.1542 298.1028 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: 3604.39, 0.00391443/step Wall: 3604.39, 0.00391443/step, 1.75019 hours remaining, 113.113281 MB of memory in use. ENERGY: 890400 646.8843 1869.4253 1981.2043 109.6607 -0.1120 -1123.2820 0.0000 0.0000 2737.7174 6221.4980 302.3885 3483.7805 6252.4688 298.7332 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: 3605.17, 0.00391797/step Wall: 3605.17, 0.00391797/step, 1.75155 hours remaining, 113.113281 MB of memory in use. ENERGY: 890600 633.1686 1925.2206 1996.6065 110.4340 1.0105 -1130.3400 0.0000 0.0000 2714.4543 6250.5543 299.8190 3536.1000 6281.1188 304.2553 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: 3605.95, 0.00392/step Wall: 3605.95, 0.00392/step, 1.75224 hours remaining, 113.113281 MB of memory in use. ENERGY: 890800 656.9967 1805.0435 1990.8436 108.9491 1.2322 -1079.6600 0.0000 0.0000 2738.0122 6221.4174 302.4211 3483.4052 6255.3901 301.8377 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: 3606.74, 0.00393544/step Wall: 3606.74, 0.00393544/step, 1.75892 hours remaining, 113.113281 MB of memory in use. ENERGY: 891000 667.3493 1951.4720 1971.1414 102.7191 1.0884 -1124.2255 0.0000 0.0000 2707.1144 6276.6591 299.0083 3569.5447 6307.1057 302.8050 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: 3607.52, 0.00391814/step Wall: 3607.52, 0.00391814/step, 1.75097 hours remaining, 113.113281 MB of memory in use. ENERGY: 891200 707.6632 1902.2538 1940.3395 106.3750 0.7131 -1090.9680 0.0000 0.0000 2726.0600 6292.4366 301.1009 3566.3766 6319.3658 305.8652 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: 3608.31, 0.00392422/step Wall: 3608.31, 0.00392422/step, 1.75347 hours remaining, 113.117188 MB of memory in use. ENERGY: 891400 646.5755 1888.0722 1983.4708 112.8691 -0.0808 -1109.2622 0.0000 0.0000 2737.2148 6258.8595 302.3330 3521.6447 6293.5752 305.7973 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: 3609.09, 0.0039194/step Wall: 3609.09, 0.0039194/step, 1.7511 hours remaining, 113.121094 MB of memory in use. ENERGY: 891600 661.4652 1787.5570 1966.6066 102.5067 -0.6894 -1070.1999 0.0000 0.0000 2743.1125 6190.3586 302.9844 3447.2461 6224.8247 302.3909 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: 3609.88, 0.00391966/step Wall: 3609.88, 0.00391966/step, 1.751 hours remaining, 113.121094 MB of memory in use. ENERGY: 891800 664.0658 1846.6901 1976.0137 108.6498 1.2249 -1094.9969 0.0000 0.0000 2732.7568 6234.4040 301.8406 3501.6472 6268.5712 300.9373 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: 3610.66, 0.00392105/step Wall: 3610.66, 0.00392105/step, 1.7514 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 892000 660.6348 1856.8179 1934.9951 104.1362 0.7172 -1086.5471 0.0000 0.0000 2746.5139 6217.2680 303.3601 3470.7542 6250.7460 302.8294 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: 3611.44, 0.00391446/step Wall: 3611.44, 0.00391446/step, 1.74824 hours remaining, 113.121094 MB of memory in use. ENERGY: 892200 647.2070 1851.7971 1960.5099 106.1850 0.7549 -1087.1347 0.0000 0.0000 2725.1552 6204.4744 301.0010 3479.3192 6237.2268 300.8463 LDB: ============= START OF LOAD BALANCING ============== 3614.15 LDB: ============== END OF LOAD BALANCING =============== 3614.15 LDB: =============== DONE WITH MIGRATION ================ 3614.15 LDB: ============= START OF LOAD BALANCING ============== 3614.54 LDB: ============== END OF LOAD BALANCING =============== 3614.54 LDB: =============== DONE WITH MIGRATION ================ 3614.54 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: 3612.23, 0.00392385/step Wall: 3612.23, 0.00392385/step, 1.75222 hours remaining, 113.121094 MB of memory in use. ENERGY: 892400 635.6504 1855.5111 1972.2982 107.6404 1.2747 -1086.2179 0.0000 0.0000 2714.4447 6200.6015 299.8180 3486.1568 6234.0606 300.2547 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: 3613.01, 0.00391841/step Wall: 3613.01, 0.00391841/step, 1.74957 hours remaining, 113.121094 MB of memory in use. ENERGY: 892600 651.7566 1860.0717 1941.9038 113.9222 -0.3959 -1055.9400 0.0000 0.0000 2684.1580 6195.4764 296.4727 3511.3184 6225.3264 298.7082 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: 3613.8, 0.0039196/step Wall: 3613.8, 0.0039196/step, 1.74988 hours remaining, 113.121094 MB of memory in use. ENERGY: 892800 648.6634 1797.4221 1946.8666 112.5933 0.2499 -1082.6999 0.0000 0.0000 2744.7473 6167.8428 303.1650 3423.0955 6201.9699 299.2640 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: 3614.58, 0.00391414/step Wall: 3614.58, 0.00391414/step, 1.74723 hours remaining, 113.121094 MB of memory in use. ENERGY: 893000 665.2852 1822.0396 1965.5722 103.7801 -0.7970 -1095.1363 0.0000 0.0000 2727.5449 6188.2887 301.2649 3460.7438 6219.6774 299.1190 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: 3615.36, 0.00391738/step Wall: 3615.36, 0.00391738/step, 1.74846 hours remaining, 113.121094 MB of memory in use. ENERGY: 893200 642.0611 1784.7086 1966.6219 98.4660 1.9154 -1087.1809 0.0000 0.0000 2722.5410 6129.1330 300.7122 3406.5921 6162.5356 298.3442 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: 3616.15, 0.00391756/step Wall: 3616.15, 0.00391756/step, 1.74832 hours remaining, 113.121094 MB of memory in use. ENERGY: 893400 650.1510 1808.9495 1968.3707 112.9093 3.0827 -1105.2037 0.0000 0.0000 2683.1723 6121.4318 296.3639 3438.2595 6155.2452 295.8073 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: 3616.93, 0.00391893/step Wall: 3616.93, 0.00391893/step, 1.74871 hours remaining, 113.121094 MB of memory in use. ENERGY: 893600 661.9109 1801.4766 1952.1883 106.3679 1.8321 -1111.5620 0.0000 0.0000 2685.3088 6097.5227 296.5998 3412.2140 6131.5015 296.1130 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: 3617.71, 0.00391952/step Wall: 3617.71, 0.00391952/step, 1.74876 hours remaining, 113.121094 MB of memory in use. ENERGY: 893800 610.7349 1841.4839 1945.6861 107.3077 1.1550 -1111.0068 0.0000 0.0000 2706.4070 6101.7679 298.9302 3395.3609 6137.0507 295.1787 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: 3618.5, 0.00391472/step Wall: 3618.5, 0.00391472/step, 1.7464 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 894000 642.5053 1861.3437 1979.1258 104.6679 -0.1306 -1124.1207 0.0000 0.0000 2713.6749 6177.0664 299.7330 3463.3915 6212.0010 297.9409 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: 3619.28, 0.00391701/step Wall: 3619.28, 0.00391701/step, 1.7472 hours remaining, 113.121094 MB of memory in use. ENERGY: 894200 643.4516 1866.6058 1994.0825 102.2877 0.3346 -1101.5951 0.0000 0.0000 2702.7896 6207.9566 298.5306 3505.1670 6239.3824 298.7840 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: 3620.06, 0.00391728/step Wall: 3620.06, 0.00391729/step, 1.74711 hours remaining, 113.121094 MB of memory in use. ENERGY: 894400 643.7122 1836.3847 1953.5529 109.5568 1.8359 -1095.9649 0.0000 0.0000 2686.5988 6135.6764 296.7423 3449.0776 6166.7118 299.3646 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: 3620.85, 0.00391676/step Wall: 3620.85, 0.00391676/step, 1.74666 hours remaining, 113.121094 MB of memory in use. ENERGY: 894600 656.9220 1813.0637 1989.3296 112.8050 0.8653 -1111.1185 0.0000 0.0000 2663.0298 6124.8969 294.1391 3461.8671 6155.4087 298.0377 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: 3621.63, 0.0039151/step Wall: 3621.63, 0.0039151/step, 1.7457 hours remaining, 113.121094 MB of memory in use. ENERGY: 894800 616.5993 1840.4214 1933.7988 117.2217 0.6675 -1087.7439 0.0000 0.0000 2682.0357 6103.0005 296.2383 3420.9648 6134.9591 295.5919 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: 3622.41, 0.00391364/step Wall: 3622.41, 0.00391364/step, 1.74483 hours remaining, 113.121094 MB of memory in use. ENERGY: 895000 669.8489 1806.8144 1955.7006 115.8676 -0.3031 -1063.8345 0.0000 0.0000 2646.5586 6130.6525 292.3198 3484.0939 6162.8725 295.5241 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: 3623.2, 0.00391873/step Wall: 3623.2, 0.00391873/step, 1.74688 hours remaining, 113.121094 MB of memory in use. ENERGY: 895200 631.5607 1825.9112 1947.1619 98.6899 2.3645 -1076.7570 0.0000 0.0000 2661.6304 6090.5617 293.9845 3428.9313 6127.4427 295.0736 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: 3623.98, 0.0039193/step Wall: 3623.98, 0.0039193/step, 1.74692 hours remaining, 113.121094 MB of memory in use. ENERGY: 895400 663.4821 1829.5355 1961.9298 113.0082 2.7409 -1099.6174 0.0000 0.0000 2608.1817 6079.2607 288.0809 3471.0790 6114.1615 293.0551 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: 3624.76, 0.00391727/step Wall: 3624.76, 0.00391727/step, 1.7458 hours remaining, 113.121094 MB of memory in use. ENERGY: 895600 645.2930 1822.5380 1929.7923 115.3061 1.7462 -1097.7904 0.0000 0.0000 2680.3280 6097.2132 296.0497 3416.8853 6130.4091 294.4243 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: 3625.55, 0.00391662/step Wall: 3625.55, 0.00391662/step, 1.74529 hours remaining, 113.121094 MB of memory in use. ENERGY: 895800 622.6793 1827.0244 1958.6804 115.7682 0.8468 -1102.6426 0.0000 0.0000 2673.7188 6096.0753 295.3197 3422.3566 6130.5862 295.1342 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: 3626.33, 0.00392041/step Wall: 3626.33, 0.00392041/step, 1.74676 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 896000 633.1175 1797.1275 1959.3562 109.3478 0.1501 -1059.9071 0.0000 0.0000 2691.6466 6130.8386 297.2999 3439.1920 6162.7216 296.6076 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: 3627.12, 0.00391842/step Wall: 3627.12, 0.00391842/step, 1.74566 hours remaining, 113.121094 MB of memory in use. ENERGY: 896200 675.5671 1853.5184 1961.2643 106.8418 0.1785 -1116.4119 0.0000 0.0000 2685.2363 6166.1945 296.5918 3480.9582 6197.4435 296.2296 LDB: ============= START OF LOAD BALANCING ============== 3629.82 LDB: ============== END OF LOAD BALANCING =============== 3629.82 LDB: =============== DONE WITH MIGRATION ================ 3629.82 LDB: ============= START OF LOAD BALANCING ============== 3630.21 LDB: ============== END OF LOAD BALANCING =============== 3630.21 LDB: =============== DONE WITH MIGRATION ================ 3630.21 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: 3627.9, 0.00392566/step Wall: 3627.9, 0.00392566/step, 1.74866 hours remaining, 113.121094 MB of memory in use. ENERGY: 896400 653.7802 1835.6585 1968.3001 105.7429 0.8158 -1098.3221 0.0000 0.0000 2738.1596 6204.1349 302.4374 3465.9754 6238.2322 298.4771 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: 3628.68, 0.00391974/step Wall: 3628.68, 0.00391974/step, 1.74581 hours remaining, 113.121094 MB of memory in use. ENERGY: 896600 665.8260 1847.6525 1937.8288 105.5957 2.1558 -1105.9888 0.0000 0.0000 2718.0035 6171.0735 300.2111 3453.0700 6203.6297 298.2889 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: 3629.47, 0.00391656/step Wall: 3629.47, 0.00391656/step, 1.74417 hours remaining, 113.121094 MB of memory in use. ENERGY: 896800 628.9412 1811.9291 1963.1592 113.1038 1.5067 -1115.3663 0.0000 0.0000 2721.2973 6124.5710 300.5749 3403.2737 6160.1339 297.6237 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: 3630.25, 0.00391971/step Wall: 3630.25, 0.0039197/step, 1.74535 hours remaining, 113.121094 MB of memory in use. ENERGY: 897000 682.2663 1836.8473 1987.7109 107.3101 2.4209 -1139.9558 0.0000 0.0000 2628.7110 6105.3107 290.3485 3476.5997 6137.2878 295.5862 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: 3631.04, 0.00391997/step Wall: 3631.04, 0.00391998/step, 1.74526 hours remaining, 113.121094 MB of memory in use. ENERGY: 897200 634.1893 1835.5928 1946.8255 107.4390 2.0801 -1097.6652 0.0000 0.0000 2666.6348 6095.0962 294.5372 3428.4614 6128.0701 294.6617 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: 3631.82, 0.00391937/step Wall: 3631.82, 0.00391937/step, 1.74477 hours remaining, 113.121094 MB of memory in use. ENERGY: 897400 632.3558 1801.0896 1949.7588 106.3177 0.4113 -1108.7953 0.0000 0.0000 2656.5864 6037.7243 293.4274 3381.1380 6071.5102 291.0188 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: 3632.6, 0.00391472/step Wall: 3632.6, 0.00391472/step, 1.74249 hours remaining, 113.121094 MB of memory in use. ENERGY: 897600 661.3017 1774.3833 1933.5533 106.8102 2.0091 -1087.4740 0.0000 0.0000 2654.7103 6045.2939 293.2201 3390.5836 6078.9952 292.7244 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: 3633.39, 0.00391946/step Wall: 3633.39, 0.00391946/step, 1.74438 hours remaining, 113.121094 MB of memory in use. ENERGY: 897800 650.4338 1793.7758 1951.3117 107.2642 1.2683 -1106.3299 0.0000 0.0000 2639.1002 6036.8240 291.4960 3397.7238 6070.6803 292.3294 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: 3634.17, 0.00391554/step Wall: 3634.17, 0.00391554/step, 1.74241 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 898000 649.4950 1846.6850 1934.3108 112.8959 0.4321 -1130.6760 0.0000 0.0000 2638.2020 6051.3447 291.3968 3413.1426 6083.1777 292.8790 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: 3634.95, 0.00391585/step Wall: 3634.95, 0.00391585/step, 1.74234 hours remaining, 113.121094 MB of memory in use. ENERGY: 898200 656.8423 1852.2488 1943.4197 112.9536 2.6347 -1118.1204 0.0000 0.0000 2604.9148 6054.8935 287.7201 3449.9787 6086.0394 291.7901 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: 3635.74, 0.00391627/step Wall: 3635.74, 0.00391627/step, 1.74231 hours remaining, 113.121094 MB of memory in use. ENERGY: 898400 627.1497 1847.2042 1941.6776 100.5179 0.5210 -1124.2870 0.0000 0.0000 2631.7584 6024.5419 290.6850 3392.7835 6053.2450 291.2076 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: 3636.52, 0.00391309/step Wall: 3636.52, 0.00391309/step, 1.74067 hours remaining, 113.121094 MB of memory in use. ENERGY: 898600 621.5577 1815.1899 1940.3439 102.8774 1.7139 -1135.5797 0.0000 0.0000 2669.0021 6015.1052 294.7987 3346.1031 6047.8740 290.8791 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: 3637.3, 0.00393139/step Wall: 3637.3, 0.0039314/step, 1.7486 hours remaining, 113.121094 MB of memory in use. ENERGY: 898800 671.2697 1802.8220 1947.9939 107.0052 1.2562 -1137.4998 0.0000 0.0000 2671.6985 6064.5456 295.0965 3392.8471 6100.0022 293.1408 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: 3638.09, 0.00392053/step Wall: 3638.09, 0.00392053/step, 1.74354 hours remaining, 113.121094 MB of memory in use. ENERGY: 899000 618.9759 1859.0955 1964.5271 106.1991 1.0298 -1084.3556 0.0000 0.0000 2672.0559 6137.5278 295.1360 3465.4719 6169.2792 295.7355 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: 3638.87, 0.00391971/step Wall: 3638.87, 0.00391971/step, 1.74296 hours remaining, 113.121094 MB of memory in use. ENERGY: 899200 613.3506 1811.6723 1959.5336 100.2043 2.0481 -1087.4454 0.0000 0.0000 2715.3522 6114.7157 299.9182 3399.3635 6149.0946 296.6006 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: 3639.66, 0.00391475/step Wall: 3639.66, 0.00391475/step, 1.74054 hours remaining, 113.121094 MB of memory in use. ENERGY: 899400 640.9858 1862.1947 1934.5876 105.1489 2.6963 -1086.3874 0.0000 0.0000 2714.2048 6173.4305 299.7915 3459.2257 6205.9096 297.3596 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: 3640.44, 0.00391835/step Wall: 3640.44, 0.00391835/step, 1.74192 hours remaining, 113.121094 MB of memory in use. ENERGY: 899600 673.4029 1807.0453 1959.3368 108.6765 1.1060 -1075.4994 0.0000 0.0000 2740.6982 6214.7663 302.7177 3474.0681 6244.8146 299.6320 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: 3641.22, 0.00391711/step Wall: 3641.22, 0.00391711/step, 1.74116 hours remaining, 113.121094 MB of memory in use. ENERGY: 899800 656.1711 1876.3226 1933.7642 114.1214 2.1378 -1087.2601 0.0000 0.0000 2704.1239 6199.3810 298.6780 3495.2571 6232.7892 301.0499 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: 3642.01, 0.00392114/step Wall: 3642.01, 0.00392114/step, 1.74273 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 900000 677.6596 1849.6819 1940.3759 96.1031 1.5995 -1082.9774 0.0000 0.0000 2728.0233 6210.4658 301.3178 3482.4425 6244.6623 300.0322 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 900000 WRITING COORDINATES TO DCD FILE MD.1.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: 3642.87, 0.00433504/step Wall: 3642.87, 0.00433504/step, 1.92644 hours remaining, 113.121094 MB of memory in use. ENERGY: 900200 670.6042 1828.4559 1952.8037 119.1884 2.1148 -1096.9124 0.0000 0.0000 2733.3987 6209.6532 301.9115 3476.2545 6242.0713 301.4532 LDB: ============= START OF LOAD BALANCING ============== 3645.57 LDB: ============== END OF LOAD BALANCING =============== 3645.57 LDB: =============== DONE WITH MIGRATION ================ 3645.57 LDB: ============= START OF LOAD BALANCING ============== 3645.97 LDB: ============== END OF LOAD BALANCING =============== 3645.97 LDB: =============== DONE WITH MIGRATION ================ 3645.97 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: 3643.66, 0.00391914/step Wall: 3643.66, 0.00391914/step, 1.7414 hours remaining, 113.121094 MB of memory in use. ENERGY: 900400 656.4049 1848.4997 1936.0329 99.0488 2.5545 -1096.9136 0.0000 0.0000 2778.2884 6223.9157 306.8697 3445.6273 6255.3975 299.7145 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: 3644.44, 0.00392124/step Wall: 3644.44, 0.00392124/step, 1.74212 hours remaining, 113.121094 MB of memory in use. ENERGY: 900600 653.1099 1850.8389 1963.6870 110.9145 3.5593 -1124.6670 0.0000 0.0000 2741.5595 6199.0020 302.8129 3457.4426 6233.2021 300.7544 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: 3645.23, 0.00391859/step Wall: 3645.23, 0.00391859/step, 1.74072 hours remaining, 113.121094 MB of memory in use. ENERGY: 900800 663.5277 1846.9652 1965.5497 115.0428 2.6314 -1137.0754 0.0000 0.0000 2733.4697 6190.1111 301.9193 3456.6414 6225.8639 300.1154 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: 3646.01, 0.00392124/step Wall: 3646.01, 0.00392124/step, 1.74168 hours remaining, 113.121094 MB of memory in use. ENERGY: 901000 665.7078 1880.1706 1941.6473 101.6386 2.6579 -1082.8035 0.0000 0.0000 2679.0138 6188.0324 295.9045 3509.0187 6219.3904 298.6922 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: 3646.79, 0.00392246/step Wall: 3646.79, 0.00392246/step, 1.74201 hours remaining, 113.121094 MB of memory in use. ENERGY: 901200 658.4093 1851.3007 1962.5457 103.6125 1.5394 -1062.0830 0.0000 0.0000 2701.2376 6216.5623 298.3592 3515.3247 6249.4392 299.4696 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: 3647.58, 0.00391514/step Wall: 3647.58, 0.00391514/step, 1.73854 hours remaining, 113.121094 MB of memory in use. ENERGY: 901400 680.1764 1858.5026 1982.2527 104.0122 2.8001 -1096.4860 0.0000 0.0000 2675.8573 6207.1154 295.5559 3531.2581 6239.0502 299.9694 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: 3648.36, 0.00392277/step Wall: 3648.36, 0.00392277/step, 1.74171 hours remaining, 113.121094 MB of memory in use. ENERGY: 901600 654.3701 1831.4394 1966.3556 101.6583 2.5081 -1090.7385 0.0000 0.0000 2711.9169 6177.5098 299.5388 3465.5930 6208.7984 299.8448 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: 3649.15, 0.00391793/step Wall: 3649.15, 0.00391793/step, 1.73935 hours remaining, 113.121094 MB of memory in use. ENERGY: 901800 655.3106 1814.0009 1967.1801 111.3653 1.7244 -1090.8799 0.0000 0.0000 2754.5123 6213.2137 304.2436 3458.7014 6249.5015 299.5796 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: 3649.93, 0.00391945/step Wall: 3649.93, 0.00391945/step, 1.7398 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 902000 666.3521 1917.3473 1954.5137 96.6893 1.6956 -1086.5261 0.0000 0.0000 2623.9041 6173.9760 289.8175 3550.0719 6205.3846 299.7402 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: 3650.71, 0.00392157/step Wall: 3650.71, 0.00392157/step, 1.74052 hours remaining, 113.121094 MB of memory in use. ENERGY: 902200 656.3770 1817.1250 1989.8928 101.4658 2.8080 -1073.6600 0.0000 0.0000 2685.1734 6179.1819 296.5849 3494.0085 6212.7177 297.0679 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: 3651.5, 0.00391674/step Wall: 3651.5, 0.00391674/step, 1.73816 hours remaining, 113.121094 MB of memory in use. ENERGY: 902400 639.4617 1860.7415 1962.1001 94.7062 2.9005 -1098.5418 0.0000 0.0000 2646.2180 6107.5863 292.2822 3461.3683 6142.4978 296.6664 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: 3652.28, 0.00392074/step Wall: 3652.28, 0.00392074/step, 1.73972 hours remaining, 113.121094 MB of memory in use. ENERGY: 902600 648.5619 1850.9422 1977.5693 107.3492 2.9784 -1080.6818 0.0000 0.0000 2677.0883 6183.8073 295.6919 3506.7190 6215.0884 296.0925 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: 3653.07, 0.00392213/step Wall: 3653.07, 0.00392213/step, 1.74012 hours remaining, 113.121094 MB of memory in use. ENERGY: 902800 637.4213 1832.1821 1953.7166 110.2576 2.2861 -1098.0324 0.0000 0.0000 2769.6635 6207.4948 305.9171 3437.8313 6243.6429 299.8897 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: 3653.85, 0.00392429/step Wall: 3653.85, 0.00392429/step, 1.74086 hours remaining, 113.121094 MB of memory in use. ENERGY: 903000 646.0167 1800.5950 1962.7185 107.2194 2.4640 -1086.6193 0.0000 0.0000 2756.6468 6189.0412 304.4793 3432.3944 6223.3489 301.9803 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: 3654.63, 0.00391791/step Wall: 3654.63, 0.00391791/step, 1.73781 hours remaining, 113.121094 MB of memory in use. ENERGY: 903200 669.9174 1868.9892 1954.9432 114.4616 1.3538 -1143.1786 0.0000 0.0000 2738.3141 6204.8007 302.4544 3466.4866 6238.6049 300.6872 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: 3655.42, 0.00392292/step Wall: 3655.42, 0.00392292/step, 1.73982 hours remaining, 113.121094 MB of memory in use. ENERGY: 903400 679.6027 1824.5976 1986.4019 115.8430 2.1049 -1111.0511 0.0000 0.0000 2775.1780 6272.6770 306.5261 3497.4990 6305.9492 301.6661 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: 3656.2, 0.0039223/step Wall: 3656.2, 0.0039223/step, 1.73932 hours remaining, 113.121094 MB of memory in use. ENERGY: 903600 659.5080 1851.9183 1968.7776 89.8702 1.4867 -1092.6251 0.0000 0.0000 2776.5236 6255.4594 306.6748 3478.9358 6289.9871 303.0517 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: 3656.99, 0.0039214/step Wall: 3656.99, 0.0039214/step, 1.7387 hours remaining, 113.121094 MB of memory in use. ENERGY: 903800 679.8997 1855.6064 1977.5106 118.6029 1.3392 -1109.0137 0.0000 0.0000 2751.3426 6275.2876 303.8934 3523.9451 6309.8429 303.3090 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: 3657.77, 0.00392024/step Wall: 3657.77, 0.00392024/step, 1.73797 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 904000 679.9444 1905.8042 1981.7286 108.8053 2.3794 -1121.0846 0.0000 0.0000 2693.4897 6251.0670 297.5034 3557.5773 6281.4362 303.8729 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: 3658.55, 0.0039149/step Wall: 3658.55, 0.0039149/step, 1.73539 hours remaining, 113.121094 MB of memory in use. ENERGY: 904200 663.5606 1859.1563 1989.1443 103.6576 1.5577 -1153.8702 0.0000 0.0000 2751.1140 6214.3203 303.8682 3463.2063 6249.9199 300.9791 LDB: ============= START OF LOAD BALANCING ============== 3661.26 LDB: ============== END OF LOAD BALANCING =============== 3661.26 LDB: =============== DONE WITH MIGRATION ================ 3661.26 LDB: ============= START OF LOAD BALANCING ============== 3661.65 LDB: ============== END OF LOAD BALANCING =============== 3661.65 LDB: =============== DONE WITH MIGRATION ================ 3661.65 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: 3659.34, 0.00392398/step Wall: 3659.34, 0.00392398/step, 1.73919 hours remaining, 113.121094 MB of memory in use. ENERGY: 904400 678.7448 1884.7273 1994.4229 104.4959 1.5369 -1112.6265 0.0000 0.0000 2708.8296 6260.1309 299.1978 3551.3014 6291.3231 300.0976 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: 3660.12, 0.00392022/step Wall: 3660.12, 0.00392022/step, 1.73731 hours remaining, 113.121094 MB of memory in use. ENERGY: 904600 659.5595 1871.2432 1975.7765 112.2268 3.6507 -1090.6058 0.0000 0.0000 2725.2655 6257.1164 301.0132 3531.8509 6287.4967 302.2716 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: 3660.91, 0.00392013/step Wall: 3660.91, 0.00392013/step, 1.73705 hours remaining, 113.121094 MB of memory in use. ENERGY: 904800 688.8258 1855.7654 2017.0216 99.9222 1.0749 -1123.8993 0.0000 0.0000 2770.3488 6309.0594 305.9927 3538.7107 6344.0793 304.3676 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: 3661.69, 0.00391272/step Wall: 3661.69, 0.00391272/step, 1.73355 hours remaining, 113.121094 MB of memory in use. ENERGY: 905000 668.1498 1863.5912 1994.1807 109.1287 2.4080 -1088.2919 0.0000 0.0000 2730.9172 6280.0836 301.6374 3549.1664 6311.8328 304.4677 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: 3662.47, 0.00391952/step Wall: 3662.47, 0.00391952/step, 1.73635 hours remaining, 113.121094 MB of memory in use. ENERGY: 905200 628.1647 1879.8126 1971.7024 107.7759 1.2969 -1069.1900 0.0000 0.0000 2757.1369 6276.6995 304.5335 3519.5626 6309.6572 305.0533 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: 3663.26, 0.00392229/step Wall: 3663.26, 0.00392229/step, 1.73735 hours remaining, 113.121094 MB of memory in use. ENERGY: 905400 662.3745 1908.4660 1935.4569 130.0585 1.4704 -1090.7511 0.0000 0.0000 2756.1095 6303.1847 304.4200 3547.0752 6335.6775 305.5965 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: 3664.04, 0.00392184/step Wall: 3664.04, 0.00392184/step, 1.73694 hours remaining, 113.121094 MB of memory in use. ENERGY: 905600 695.8126 1873.2425 1963.2532 116.7370 1.9456 -1119.7589 0.0000 0.0000 2780.8308 6312.0628 307.1505 3531.2320 6344.3499 306.0650 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: 3664.83, 0.00392026/step Wall: 3664.83, 0.00392026/step, 1.73602 hours remaining, 113.121094 MB of memory in use. ENERGY: 905800 697.9901 1926.8870 1952.6308 119.5349 1.6477 -1091.6368 0.0000 0.0000 2725.4313 6332.4849 301.0315 3607.0536 6363.8771 306.1944 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: 3665.61, 0.00391648/step Wall: 3665.61, 0.00391648/step, 1.73413 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 906000 652.0988 1890.7746 1978.9375 112.6978 1.0070 -1080.5596 0.0000 0.0000 2771.4005 6326.3566 306.1089 3554.9561 6363.3220 307.0723 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: 3666.4, 0.00392495/step Wall: 3666.4, 0.00392495/step, 1.73766 hours remaining, 113.121094 MB of memory in use. ENERGY: 906200 671.7256 1830.1056 1975.4786 113.5727 2.1589 -1087.4960 0.0000 0.0000 2823.5197 6329.0650 311.8656 3505.5453 6361.7056 307.7906 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: 3667.18, 0.00392976/step Wall: 3667.18, 0.00392976/step, 1.73957 hours remaining, 113.121094 MB of memory in use. ENERGY: 906400 639.2134 1863.3637 1959.8436 114.9439 1.3431 -1108.0037 0.0000 0.0000 2794.8650 6265.5689 308.7006 3470.7039 6302.7691 305.7387 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: 3667.97, 0.00392233/step Wall: 3667.97, 0.00392233/step, 1.73606 hours remaining, 113.121094 MB of memory in use. ENERGY: 906600 652.4067 1864.3371 1936.2535 104.0833 1.3045 -1102.7132 0.0000 0.0000 2725.7636 6181.4356 301.0682 3455.6720 6213.2462 302.0727 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: 3668.75, 0.00392215/step Wall: 3668.75, 0.00392215/step, 1.73577 hours remaining, 113.121094 MB of memory in use. ENERGY: 906800 652.6921 1823.4496 1981.0948 106.1630 1.1846 -1109.4415 0.0000 0.0000 2735.3819 6190.5245 302.1306 3455.1425 6223.3538 299.6213 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: 3669.53, 0.00391209/step Wall: 3669.53, 0.00391209/step, 1.7311 hours remaining, 113.121094 MB of memory in use. ENERGY: 907000 651.4150 1883.3604 1954.6980 102.9440 1.9909 -1082.9169 0.0000 0.0000 2737.2558 6248.7472 302.3375 3511.4914 6283.4723 300.6236 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: 3670.32, 0.00392087/step Wall: 3670.32, 0.00392087/step, 1.73477 hours remaining, 113.121094 MB of memory in use. ENERGY: 907200 663.0669 1838.2059 1972.7794 107.4262 0.3665 -1107.4364 0.0000 0.0000 2733.6934 6208.1017 301.9441 3474.4083 6241.7826 300.6650 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: 3671.1, 0.00392146/step Wall: 3671.1, 0.00392146/step, 1.73481 hours remaining, 113.121094 MB of memory in use. ENERGY: 907400 615.5844 1839.6052 1969.3447 105.7045 1.1858 -1096.7663 0.0000 0.0000 2719.2615 6153.9199 300.3500 3434.6584 6189.6507 298.0243 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: 3671.89, 0.00392112/step Wall: 3671.89, 0.00392112/step, 1.73444 hours remaining, 113.121094 MB of memory in use. ENERGY: 907600 650.9652 1839.4798 1951.1395 102.9715 1.4782 -1073.4363 0.0000 0.0000 2703.2850 6175.8830 298.5854 3472.5979 6211.0881 297.2462 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: 3672.67, 0.00391412/step Wall: 3672.67, 0.00391412/step, 1.73113 hours remaining, 113.121094 MB of memory in use. ENERGY: 907800 666.2566 1858.3604 1958.2652 106.1937 1.2638 -1073.0842 0.0000 0.0000 2674.0398 6191.2954 295.3551 3517.2555 6221.8888 298.8497 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: 3673.45, 0.00392037/step Wall: 3673.45, 0.00392037/step, 1.73367 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 908000 660.2004 1854.5869 1936.8950 104.7923 1.4080 -1091.1313 0.0000 0.0000 2724.7699 6191.5211 300.9584 3466.7512 6225.3916 299.4978 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: 3674.24, 0.00391858/step Wall: 3674.24, 0.00391858/step, 1.73267 hours remaining, 113.121094 MB of memory in use. ENERGY: 908200 607.1530 1907.6876 1952.7569 103.3406 1.3281 -1103.0328 0.0000 0.0000 2707.1899 6176.4235 299.0167 3469.2336 6209.0410 300.8489 LDB: ============= START OF LOAD BALANCING ============== 3676.94 LDB: ============== END OF LOAD BALANCING =============== 3676.94 LDB: =============== DONE WITH MIGRATION ================ 3676.94 LDB: ============= START OF LOAD BALANCING ============== 3677.33 LDB: ============== END OF LOAD BALANCING =============== 3677.33 LDB: =============== DONE WITH MIGRATION ================ 3677.33 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: 3675.02, 0.00392533/step Wall: 3675.02, 0.00392533/step, 1.73543 hours remaining, 113.121094 MB of memory in use. ENERGY: 908400 677.3798 1851.2025 1946.3888 109.4050 0.5800 -1133.2308 0.0000 0.0000 2761.8940 6213.6194 305.0589 3451.7254 6246.9739 299.7463 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: 3675.81, 0.00392253/step Wall: 3675.81, 0.00392253/step, 1.73398 hours remaining, 113.121094 MB of memory in use. ENERGY: 908600 628.7663 1832.6760 1967.4762 92.0648 1.2800 -1107.5818 0.0000 0.0000 2768.3784 6183.0600 305.7751 3414.6816 6220.0513 300.8487 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: 3676.59, 0.00391851/step Wall: 3676.59, 0.00391851/step, 1.73198 hours remaining, 113.121094 MB of memory in use. ENERGY: 908800 665.9175 1836.9126 1976.5427 102.7680 1.5641 -1114.5558 0.0000 0.0000 2714.9720 6184.1210 299.8762 3469.1490 6216.9082 298.9845 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: 3677.37, 0.00392733/step Wall: 3677.37, 0.00392733/step, 1.73566 hours remaining, 113.121094 MB of memory in use. ENERGY: 909000 615.8821 1878.9607 1953.3864 105.8910 0.5784 -1129.3535 0.0000 0.0000 2759.4244 6184.7696 304.7861 3425.3451 6219.1961 299.7477 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: 3678.16, 0.00392144/step Wall: 3678.16, 0.00392144/step, 1.73284 hours remaining, 113.121094 MB of memory in use. ENERGY: 909200 646.5013 1787.2941 1971.4225 101.9955 1.1457 -1073.6875 0.0000 0.0000 2738.3191 6172.9908 302.4550 3434.6717 6206.9788 299.0705 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: 3678.94, 0.00392259/step Wall: 3678.94, 0.00392259/step, 1.73313 hours remaining, 113.121094 MB of memory in use. ENERGY: 909400 668.2485 1812.1132 1956.9822 98.5329 2.6058 -1111.6412 0.0000 0.0000 2718.5447 6145.3861 300.2708 3426.8415 6180.6690 299.2854 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: 3679.73, 0.00391426/step Wall: 3679.73, 0.00391426/step, 1.72923 hours remaining, 113.121094 MB of memory in use. ENERGY: 909600 676.6690 1852.7002 1990.8781 112.5703 0.7516 -1124.5566 0.0000 0.0000 2696.8619 6205.8745 297.8759 3509.0126 6239.6205 298.5654 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: 3680.51, 0.0039219/step Wall: 3680.51, 0.0039219/step, 1.73239 hours remaining, 113.121094 MB of memory in use. ENERGY: 909800 597.2902 1824.7602 1970.7199 113.4973 2.2635 -1053.8315 0.0000 0.0000 2710.2209 6164.9205 299.3515 3454.6996 6198.0423 298.0518 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: 3681.29, 0.00391936/step Wall: 3681.29, 0.00391936/step, 1.73105 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 910000 656.4497 1849.4289 1940.5674 101.3733 2.2858 -1088.7301 0.0000 0.0000 2705.1624 6166.5374 298.7927 3461.3750 6202.7238 298.2421 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 910000 WRITING COORDINATES TO DCD FILE MD.1.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: 3682.49, 0.00596409/step Wall: 3682.49, 0.00596409/step, 2.63381 hours remaining, 113.121094 MB of memory in use. ENERGY: 910200 645.1880 1843.7783 1963.5063 101.7196 2.1755 -1082.6173 0.0000 0.0000 2737.5283 6211.2787 302.3676 3473.7504 6243.4189 299.7833 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: 3683.27, 0.00391797/step Wall: 3683.27, 0.00391797/step, 1.73 hours remaining, 113.121094 MB of memory in use. ENERGY: 910400 685.4415 1757.1997 2017.5088 109.1500 1.7410 -1100.6192 0.0000 0.0000 2745.2696 6215.6915 303.2227 3470.4219 6252.2971 300.0593 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: 3684.06, 0.00392007/step Wall: 3684.06, 0.00392007/step, 1.73071 hours remaining, 113.121094 MB of memory in use. ENERGY: 910600 663.3033 1817.8486 1970.0296 107.3516 1.2483 -1108.3705 0.0000 0.0000 2748.1540 6199.5649 303.5413 3451.4109 6231.6513 300.5341 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: 3684.84, 0.00392106/step Wall: 3684.84, 0.00392107/step, 1.73093 hours remaining, 113.121094 MB of memory in use. ENERGY: 910800 661.0042 1830.8868 1959.6891 110.1068 1.2633 -1112.1470 0.0000 0.0000 2768.3679 6219.1710 305.7740 3450.8031 6255.1044 300.5163 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: 3685.62, 0.00391685/step Wall: 3685.62, 0.00391685/step, 1.72886 hours remaining, 113.121094 MB of memory in use. ENERGY: 911000 645.6293 1898.1924 1975.7011 114.8299 1.0192 -1112.5301 0.0000 0.0000 2656.1409 6178.9828 293.3782 3522.8419 6210.0071 300.4964 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: 3686.41, 0.00392375/step Wall: 3686.41, 0.00392375/step, 1.73168 hours remaining, 113.121094 MB of memory in use. ENERGY: 911200 714.4752 1869.4256 1950.5148 107.4424 1.0243 -1133.1345 0.0000 0.0000 2673.4234 6183.1711 295.2871 3509.7477 6213.9275 299.2811 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: 3687.19, 0.00392063/step Wall: 3687.19, 0.00392062/step, 1.73008 hours remaining, 113.121094 MB of memory in use. ENERGY: 911400 651.6904 1810.9047 1974.8675 106.1139 0.5803 -1118.2739 0.0000 0.0000 2737.2542 6163.1370 302.3373 3425.8829 6197.6900 298.2806 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: 3687.98, 0.00392161/step Wall: 3687.98, 0.00392161/step, 1.7303 hours remaining, 113.121094 MB of memory in use. ENERGY: 911600 639.5851 1850.7272 1997.9564 113.2949 2.7591 -1057.3559 0.0000 0.0000 2640.5936 6187.5604 291.6609 3546.9668 6220.0278 298.3925 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: 3688.76, 0.00391908/step Wall: 3688.76, 0.00391908/step, 1.72897 hours remaining, 113.121094 MB of memory in use. ENERGY: 911800 634.3992 1813.0871 1982.4684 114.1636 1.6609 -1106.8133 0.0000 0.0000 2713.3982 6152.3641 299.7024 3438.9658 6186.0684 298.2141 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: 3689.54, 0.0039205/step Wall: 3689.54, 0.0039205/step, 1.72937 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 912000 623.5119 1835.1800 1999.2559 102.2733 1.4526 -1089.3689 0.0000 0.0000 2698.3958 6170.7006 298.0453 3472.3048 6202.3787 299.1445 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: 3690.33, 0.00392421/step Wall: 3690.33, 0.00392421/step, 1.7308 hours remaining, 113.121094 MB of memory in use. ENERGY: 912200 656.5024 1826.2266 1955.9220 120.3486 3.0283 -1131.3758 0.0000 0.0000 2721.4607 6152.1128 300.5929 3430.6520 6186.1323 298.0004 LDB: ============= START OF LOAD BALANCING ============== 3693.03 LDB: ============== END OF LOAD BALANCING =============== 3693.03 LDB: =============== DONE WITH MIGRATION ================ 3693.03 LDB: ============= START OF LOAD BALANCING ============== 3693.42 LDB: ============== END OF LOAD BALANCING =============== 3693.42 LDB: =============== DONE WITH MIGRATION ================ 3693.42 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: 3691.11, 0.00392468/step Wall: 3691.11, 0.00392468/step, 1.73079 hours remaining, 113.121094 MB of memory in use. ENERGY: 912400 646.6890 1855.7273 1960.2407 101.4024 0.5555 -1121.4241 0.0000 0.0000 2702.6598 6145.8507 298.5163 3443.1909 6178.7151 297.7203 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: 3691.9, 0.00392267/step Wall: 3691.9, 0.00392267/step, 1.72968 hours remaining, 113.121094 MB of memory in use. ENERGY: 912600 672.1684 1836.7302 1960.0888 98.5489 1.7177 -1106.4853 0.0000 0.0000 2633.7508 6096.5195 290.9051 3462.7687 6125.5860 296.1694 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: 3692.68, 0.00391809/step Wall: 3692.68, 0.00391809/step, 1.72744 hours remaining, 113.121094 MB of memory in use. ENERGY: 912800 653.0048 1828.7973 1952.6603 114.8995 1.3093 -1088.4188 0.0000 0.0000 2643.2266 6105.4791 291.9517 3462.2525 6137.6902 294.6895 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: 3693.47, 0.0039222/step Wall: 3693.47, 0.0039222/step, 1.72904 hours remaining, 113.121094 MB of memory in use. ENERGY: 913000 643.3474 1821.4601 1969.1786 95.9482 2.8595 -1105.0600 0.0000 0.0000 2709.6143 6137.3481 299.2844 3427.7338 6172.5025 295.2539 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: 3694.25, 0.00392273/step Wall: 3694.25, 0.00392273/step, 1.72905 hours remaining, 113.121094 MB of memory in use. ENERGY: 913200 674.0560 1823.6231 1931.4173 104.6905 2.2696 -1083.2682 0.0000 0.0000 2732.7129 6185.5012 301.8357 3452.7883 6219.8845 297.4945 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: 3695.04, 0.00392308/step Wall: 3695.04, 0.00392308/step, 1.72899 hours remaining, 113.121094 MB of memory in use. ENERGY: 913400 678.4798 1858.6802 1951.5369 108.3261 2.0796 -1131.2595 0.0000 0.0000 2728.3169 6196.1600 301.3502 3467.8431 6226.6831 301.0722 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: 3695.82, 0.00392308/step Wall: 3695.82, 0.00392308/step, 1.72877 hours remaining, 113.121094 MB of memory in use. ENERGY: 913600 676.5896 1838.2715 1951.1442 107.5090 1.0317 -1104.5846 0.0000 0.0000 2693.2948 6163.2562 297.4819 3469.9614 6197.5752 299.2719 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: 3696.6, 0.00391762/step Wall: 3696.6, 0.00391762/step, 1.72614 hours remaining, 113.121094 MB of memory in use. ENERGY: 913800 631.7662 1859.2667 1976.4888 100.9633 0.3557 -1077.3306 0.0000 0.0000 2717.6612 6209.1713 300.1732 3491.5101 6244.1290 299.2630 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: 3697.39, 0.00392262/step Wall: 3697.39, 0.00392262/step, 1.72813 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 914000 652.0903 1898.2908 1941.4422 103.0032 -0.5716 -1126.0121 0.0000 0.0000 2766.8630 6235.1058 305.6077 3468.2428 6267.5279 301.7836 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: 3698.17, 0.00392187/step Wall: 3698.17, 0.00392187/step, 1.72758 hours remaining, 113.121094 MB of memory in use. ENERGY: 914200 655.6082 1905.1633 1935.5835 103.5877 -0.8486 -1101.0895 0.0000 0.0000 2726.5137 6224.5182 301.1510 3498.0046 6256.9597 302.3147 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: 3698.96, 0.00392213/step Wall: 3698.96, 0.00392213/step, 1.72748 hours remaining, 113.121094 MB of memory in use. ENERGY: 914400 663.0106 1878.3137 1950.5617 108.4277 -0.3109 -1060.3718 0.0000 0.0000 2655.1458 6194.7769 293.2683 3539.6310 6229.0671 301.3413 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: 3699.74, 0.00391511/step Wall: 3699.74, 0.00391511/step, 1.72417 hours remaining, 113.121094 MB of memory in use. ENERGY: 914600 663.8513 1827.9799 1962.8893 110.6402 0.2922 -1104.8633 0.0000 0.0000 2731.3213 6192.1109 301.6820 3460.7896 6224.7739 298.9823 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: 3700.52, 0.00392135/step Wall: 3700.52, 0.00392135/step, 1.7267 hours remaining, 113.121094 MB of memory in use. ENERGY: 914800 637.6687 1843.9459 1972.8169 106.0229 0.8970 -1112.8793 0.0000 0.0000 2737.8702 6186.3423 302.4054 3448.4721 6222.6160 300.9688 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: 3701.31, 0.00392219/step Wall: 3701.31, 0.00392219/step, 1.72685 hours remaining, 113.121094 MB of memory in use. ENERGY: 915000 654.1240 1884.5281 1976.9552 110.0744 1.5050 -1092.1369 0.0000 0.0000 2623.0308 6158.0806 289.7211 3535.0497 6190.3915 297.2911 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: 3702.09, 0.00392211/step Wall: 3702.09, 0.00392211/step, 1.7266 hours remaining, 113.121094 MB of memory in use. ENERGY: 915200 637.4518 1875.3189 1953.5629 105.0988 0.5642 -1114.9287 0.0000 0.0000 2643.3859 6100.4538 291.9693 3457.0679 6131.6991 294.8066 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: 3702.88, 0.00392254/step Wall: 3702.88, 0.00392254/step, 1.72657 hours remaining, 113.121094 MB of memory in use. ENERGY: 915400 633.1923 1812.2910 1980.4838 94.6548 0.3418 -1099.7356 0.0000 0.0000 2697.0142 6118.2425 297.8927 3421.2282 6154.2245 294.3971 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: 3703.66, 0.00391787/step Wall: 3703.66, 0.00391787/step, 1.7243 hours remaining, 113.121094 MB of memory in use. ENERGY: 915600 664.4738 1824.1338 1988.3097 99.3835 0.1077 -1081.4908 0.0000 0.0000 2643.1543 6138.0721 291.9438 3494.9178 6173.1362 293.6763 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: 3704.45, 0.00392445/step Wall: 3704.45, 0.00392445/step, 1.72698 hours remaining, 113.121094 MB of memory in use. ENERGY: 915800 669.7681 1855.2060 1945.6541 101.9877 1.4181 -1094.6518 0.0000 0.0000 2693.3580 6172.7401 297.4889 3479.3821 6206.7553 296.2451 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: 3705.23, 0.00392153/step Wall: 3705.23, 0.00392153/step, 1.72547 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 916000 655.1378 1894.4258 1962.1386 105.8789 0.0729 -1130.4751 0.0000 0.0000 2721.1331 6208.3120 300.5567 3487.1788 6242.3409 298.8357 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: 3706.01, 0.00392201/step Wall: 3706.01, 0.00392201/step, 1.72546 hours remaining, 113.121094 MB of memory in use. ENERGY: 916200 670.6567 1864.8256 1943.5946 106.4423 0.9327 -1108.2358 0.0000 0.0000 2678.1861 6156.4021 295.8131 3478.2160 6190.9203 298.2097 LDB: ============= START OF LOAD BALANCING ============== 3708.72 LDB: ============== END OF LOAD BALANCING =============== 3708.72 LDB: =============== DONE WITH MIGRATION ================ 3708.72 LDB: ============= START OF LOAD BALANCING ============== 3709.11 LDB: ============== END OF LOAD BALANCING =============== 3709.11 LDB: =============== DONE WITH MIGRATION ================ 3709.11 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: 3706.8, 0.00392508/step Wall: 3706.8, 0.00392508/step, 1.7266 hours remaining, 113.121094 MB of memory in use. ENERGY: 916400 670.4362 1927.4049 1932.8353 117.3220 1.0918 -1118.2242 0.0000 0.0000 2684.3834 6215.2494 296.4976 3530.8660 6245.1198 298.5286 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: 3707.58, 0.0039167/step Wall: 3707.58, 0.00391669/step, 1.72269 hours remaining, 113.121094 MB of memory in use. ENERGY: 916600 693.7588 1832.3005 1950.3812 108.3765 -0.0457 -1108.9506 0.0000 0.0000 2716.8155 6192.6362 300.0798 3475.8207 6228.2546 300.3336 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: 3708.37, 0.00392323/step Wall: 3708.37, 0.00392323/step, 1.72535 hours remaining, 113.121094 MB of memory in use. ENERGY: 916800 662.4009 1841.2202 1966.5733 108.3827 0.9267 -1137.8384 0.0000 0.0000 2743.3047 6184.9703 303.0057 3441.6655 6218.3306 299.0776 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: 3709.15, 0.00392116/step Wall: 3709.15, 0.00392116/step, 1.72422 hours remaining, 113.121094 MB of memory in use. ENERGY: 917000 641.8627 1817.7289 1965.8967 102.3102 1.8497 -1084.2887 0.0000 0.0000 2709.3735 6154.7330 299.2579 3445.3595 6187.8483 299.0958 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: 3709.94, 0.00392158/step Wall: 3709.94, 0.00392158/step, 1.72419 hours remaining, 113.121094 MB of memory in use. ENERGY: 917200 637.3792 1851.8674 1934.6059 101.6912 2.5028 -1095.2182 0.0000 0.0000 2746.6591 6179.4875 303.3762 3432.8283 6213.8822 296.8052 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: 3710.72, 0.00391742/step Wall: 3710.72, 0.00391742/step, 1.72214 hours remaining, 113.121094 MB of memory in use. ENERGY: 917400 680.3880 1890.0777 1950.1335 108.1853 0.8085 -1111.6252 0.0000 0.0000 2715.8755 6233.8433 299.9760 3517.9678 6267.6610 301.8638 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: 3711.5, 0.0039228/step Wall: 3711.5, 0.0039228/step, 1.72429 hours remaining, 113.121094 MB of memory in use. ENERGY: 917600 657.6524 1878.3246 1956.8213 122.3413 0.4598 -1081.3623 0.0000 0.0000 2734.9047 6269.1419 302.0778 3534.2372 6302.7060 303.2153 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: 3712.29, 0.00392194/step Wall: 3712.29, 0.00392194/step, 1.72369 hours remaining, 113.121094 MB of memory in use. ENERGY: 917800 657.3503 1892.9061 1924.1837 114.0642 -0.2277 -1091.2870 0.0000 0.0000 2754.9987 6251.9883 304.2973 3496.9896 6285.3737 303.1503 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: 3713.07, 0.00392544/step Wall: 3713.07, 0.00392544/step, 1.72501 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 918000 676.4847 1858.6180 1935.3302 102.9821 0.0282 -1084.2295 0.0000 0.0000 2786.5957 6275.8094 307.7873 3489.2137 6309.4287 302.3628 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: 3713.86, 0.00392267/step Wall: 3713.86, 0.00392267/step, 1.72358 hours remaining, 113.121094 MB of memory in use. ENERGY: 918200 615.1932 1870.8729 1973.5739 109.3137 0.6510 -1074.4427 0.0000 0.0000 2734.2579 6229.4198 302.0064 3495.1619 6265.3343 303.4444 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: 3714.64, 0.00391616/step Wall: 3714.64, 0.00391616/step, 1.7205 hours remaining, 113.121094 MB of memory in use. ENERGY: 918400 671.1528 1818.7733 1963.6345 105.2028 0.7297 -1122.9671 0.0000 0.0000 2794.5481 6231.0741 308.6656 3436.5259 6265.1377 302.4600 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: 3715.43, 0.00392064/step Wall: 3715.43, 0.00392064/step, 1.72225 hours remaining, 113.121094 MB of memory in use. ENERGY: 918600 657.8523 1865.3596 1962.6530 118.1260 1.2587 -1084.9380 0.0000 0.0000 2721.3620 6241.6735 300.5820 3520.3115 6272.8824 302.8987 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: 3716.21, 0.00391934/step Wall: 3716.21, 0.00391934/step, 1.72146 hours remaining, 113.121094 MB of memory in use. ENERGY: 918800 661.0320 1898.1511 1978.1664 109.2967 1.4628 -1063.8884 0.0000 0.0000 2636.4057 6220.6262 291.1983 3584.2205 6251.6132 301.4600 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: 3716.99, 0.00392604/step Wall: 3716.99, 0.00392604/step, 1.72419 hours remaining, 113.121094 MB of memory in use. ENERGY: 919000 668.5018 1843.4767 1966.8095 106.8334 2.0466 -1099.9139 0.0000 0.0000 2702.5111 6190.2652 298.4999 3487.7541 6222.7598 300.7873 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: 3717.78, 0.00391546/step Wall: 3717.78, 0.00391546/step, 1.71932 hours remaining, 113.121094 MB of memory in use. ENERGY: 919200 652.7836 1851.0664 1972.6407 94.8048 2.2512 -1108.7687 0.0000 0.0000 2724.3075 6189.0855 300.9073 3464.7780 6224.2751 300.0905 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: 3718.56, 0.00392498/step Wall: 3718.56, 0.00392498/step, 1.72328 hours remaining, 113.121094 MB of memory in use. ENERGY: 919400 655.1908 1882.6224 1985.9848 106.7154 1.6296 -1095.0642 0.0000 0.0000 2699.8147 6236.8934 298.2020 3537.0787 6270.1691 300.3567 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: 3719.35, 0.00392223/step Wall: 3719.35, 0.00392223/step, 1.72186 hours remaining, 113.121094 MB of memory in use. ENERGY: 919600 667.9893 1910.8238 1957.3258 121.5573 2.4370 -1129.5860 0.0000 0.0000 2735.1284 6265.6756 302.1025 3530.5472 6299.8554 303.3410 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: 3720.13, 0.00392471/step Wall: 3720.13, 0.00392471/step, 1.72273 hours remaining, 113.121094 MB of memory in use. ENERGY: 919800 643.1716 1881.0490 1974.1820 119.7512 0.6908 -1111.8933 0.0000 0.0000 2695.2749 6202.2262 297.7006 3506.9513 6234.7138 301.8279 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: 3720.92, 0.003929/step Wall: 3720.92, 0.003929/step, 1.72439 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 920000 658.7048 1804.0153 1957.9051 107.2247 1.4779 -1089.2893 0.0000 0.0000 2755.0836 6195.1221 304.3067 3440.0384 6229.8105 300.6952 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 920000 WRITING COORDINATES TO DCD FILE MD.1.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: 3721.78, 0.00428584/step Wall: 3721.78, 0.00428584/step, 1.88077 hours remaining, 113.121094 MB of memory in use. ENERGY: 920200 628.7448 1878.1391 1951.7335 111.7249 2.6397 -1125.3374 0.0000 0.0000 2729.0528 6176.6974 301.4315 3447.6446 6211.5115 300.2759 LDB: ============= START OF LOAD BALANCING ============== 3724.48 LDB: ============== END OF LOAD BALANCING =============== 3724.48 LDB: =============== DONE WITH MIGRATION ================ 3724.48 LDB: ============= START OF LOAD BALANCING ============== 3724.87 LDB: ============== END OF LOAD BALANCING =============== 3724.87 LDB: =============== DONE WITH MIGRATION ================ 3724.87 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: 3722.56, 0.00392702/step Wall: 3722.56, 0.00392702/step, 1.72309 hours remaining, 113.121094 MB of memory in use. ENERGY: 920400 660.1131 1840.1023 1979.7934 115.5591 2.3735 -1126.9545 0.0000 0.0000 2726.3628 6197.3497 301.1344 3470.9869 6227.2129 302.1063 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: 3723.35, 0.00392346/step Wall: 3723.35, 0.00392346/step, 1.72131 hours remaining, 113.121094 MB of memory in use. ENERGY: 920600 653.1295 1891.5013 1963.1206 119.2686 1.4454 -1117.5470 0.0000 0.0000 2691.2604 6202.1787 297.2572 3510.9183 6235.0552 300.8275 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: 3724.13, 0.00392253/step Wall: 3724.13, 0.00392253/step, 1.72068 hours remaining, 113.121094 MB of memory in use. ENERGY: 920800 636.6141 1828.4154 1971.7509 103.7996 2.1228 -1072.8272 0.0000 0.0000 2738.4763 6208.3518 302.4723 3469.8756 6242.9098 301.3995 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: 3724.91, 0.00392237/step Wall: 3724.91, 0.00392237/step, 1.7204 hours remaining, 113.121094 MB of memory in use. ENERGY: 921000 690.0068 1845.9053 1978.4165 107.0402 1.1805 -1135.3899 0.0000 0.0000 2688.4929 6175.6522 296.9515 3487.1593 6203.6899 299.9789 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: 3725.7, 0.00391495/step Wall: 3725.7, 0.00391495/step, 1.71693 hours remaining, 113.121094 MB of memory in use. ENERGY: 921200 652.2969 1794.3074 1964.0783 98.5914 0.7090 -1127.6913 0.0000 0.0000 2770.4080 6152.6996 305.9993 3382.2917 6189.3505 297.5229 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: 3726.48, 0.00393441/step Wall: 3726.48, 0.00393441/step, 1.72524 hours remaining, 113.121094 MB of memory in use. ENERGY: 921400 649.0717 1847.3396 1938.3066 112.6382 2.0922 -1154.3184 0.0000 0.0000 2743.0277 6138.1576 302.9750 3395.1299 6174.1561 298.7217 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: 3727.27, 0.00392576/step Wall: 3727.27, 0.00392576/step, 1.72123 hours remaining, 113.121094 MB of memory in use. ENERGY: 921600 649.9371 1824.4965 1972.8583 110.0869 2.2297 -1109.0470 0.0000 0.0000 2685.9403 6136.5018 296.6696 3450.5615 6171.3226 297.7610 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: 3728.05, 0.00392651/step Wall: 3728.05, 0.00392652/step, 1.72134 hours remaining, 113.121094 MB of memory in use. ENERGY: 921800 671.1526 1879.3775 1946.7163 105.3032 2.0316 -1106.5179 0.0000 0.0000 2667.8895 6165.9529 294.6758 3498.0634 6199.1226 299.3761 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: 3728.84, 0.00392124/step Wall: 3728.84, 0.00392124/step, 1.71881 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 922000 682.4373 1884.7445 1943.5362 100.4070 1.9320 -1121.4719 0.0000 0.0000 2679.7661 6171.3511 295.9876 3491.5851 6201.8392 298.9579 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: 3729.62, 0.00391925/step Wall: 3729.62, 0.00391925/step, 1.71772 hours remaining, 113.121094 MB of memory in use. ENERGY: 922200 661.7529 1823.1440 1937.1704 125.7419 1.3908 -1096.9447 0.0000 0.0000 2688.5601 6140.8155 296.9590 3452.2553 6170.0754 298.4692 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: 3730.41, 0.00392211/step Wall: 3730.41, 0.00392211/step, 1.71876 hours remaining, 113.121094 MB of memory in use. ENERGY: 922400 657.3919 1864.3609 1932.7880 90.0646 2.1101 -1087.5552 0.0000 0.0000 2699.1111 6158.2713 298.1243 3459.1603 6191.7753 297.8942 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: 3731.19, 0.00392057/step Wall: 3731.19, 0.00392057/step, 1.71786 hours remaining, 113.121094 MB of memory in use. ENERGY: 922600 691.6877 1832.5982 1937.5196 99.7046 3.5966 -1121.9935 0.0000 0.0000 2715.1363 6158.2495 299.8944 3443.1132 6190.4693 296.9386 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: 3731.98, 0.00392189/step Wall: 3731.98, 0.00392189/step, 1.71822 hours remaining, 113.121094 MB of memory in use. ENERGY: 922800 666.0494 1827.1868 1947.1178 100.7118 2.9523 -1124.8597 0.0000 0.0000 2709.7575 6128.9158 299.3003 3419.1584 6164.1043 298.2420 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: 3732.76, 0.00391497/step Wall: 3732.76, 0.00391497/step, 1.71498 hours remaining, 113.121094 MB of memory in use. ENERGY: 923000 675.9867 1889.8259 1943.4740 120.2902 1.3531 -1148.4349 0.0000 0.0000 2706.2176 6188.7126 298.9093 3482.4950 6219.5116 298.6343 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: 3733.54, 0.00392172/step Wall: 3733.54, 0.00392172/step, 1.71771 hours remaining, 113.121094 MB of memory in use. ENERGY: 923200 673.8898 1849.2859 1940.7167 102.8027 2.0810 -1110.3118 0.0000 0.0000 2729.8375 6188.3018 301.5182 3458.4643 6225.0095 299.7741 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: 3734.33, 0.00392203/step Wall: 3734.33, 0.00392202/step, 1.71763 hours remaining, 113.121094 MB of memory in use. ENERGY: 923400 660.6767 1884.0656 1951.8370 103.6668 2.2118 -1083.3688 0.0000 0.0000 2670.6636 6189.7527 294.9822 3519.0891 6221.7560 299.7902 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: 3735.11, 0.00392264/step Wall: 3735.11, 0.00392265/step, 1.71769 hours remaining, 113.121094 MB of memory in use. ENERGY: 923600 654.9586 1865.4506 1938.6389 110.5021 1.9310 -1086.0390 0.0000 0.0000 2750.1002 6235.5423 303.7562 3485.4422 6270.9384 300.0986 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: 3735.9, 0.00392287/step Wall: 3735.9, 0.00392287/step, 1.71757 hours remaining, 113.121094 MB of memory in use. ENERGY: 923800 631.5594 1879.9236 1940.4331 101.9646 2.7683 -1074.6703 0.0000 0.0000 2735.3870 6217.3657 302.1311 3481.9787 6252.7554 301.4326 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: 3736.68, 0.00391631/step Wall: 3736.68, 0.00391631/step, 1.71447 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 924000 677.0474 1852.8792 1951.2085 100.2161 2.7789 -1104.5237 0.0000 0.0000 2768.2602 6247.8666 305.7620 3479.6064 6283.7202 303.3814 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: 3737.46, 0.00392226/step Wall: 3737.46, 0.00392226/step, 1.71686 hours remaining, 113.121094 MB of memory in use. ENERGY: 924200 648.9181 1850.2577 1952.2992 115.4695 2.7827 -1082.7816 0.0000 0.0000 2746.6876 6233.6331 303.3793 3486.9456 6268.4321 301.6749 LDB: ============= START OF LOAD BALANCING ============== 3740.17 LDB: ============== END OF LOAD BALANCING =============== 3740.17 LDB: =============== DONE WITH MIGRATION ================ 3740.17 LDB: ============= START OF LOAD BALANCING ============== 3740.56 LDB: ============== END OF LOAD BALANCING =============== 3740.56 LDB: =============== DONE WITH MIGRATION ================ 3740.56 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: 3738.25, 0.00392858/step Wall: 3738.25, 0.00392858/step, 1.71941 hours remaining, 113.121094 MB of memory in use. ENERGY: 924400 672.4112 1809.8672 1943.6007 135.3255 2.2349 -1081.6543 0.0000 0.0000 2670.2435 6152.0287 294.9358 3481.7852 6184.8755 298.9109 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: 3739.03, 0.00392255/step Wall: 3739.03, 0.00392255/step, 1.71655 hours remaining, 113.121094 MB of memory in use. ENERGY: 924600 632.4988 1807.6118 1944.4420 113.7582 1.7390 -1084.4122 0.0000 0.0000 2673.3734 6089.0109 295.2815 3415.6375 6125.8371 294.5587 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: 3739.82, 0.00391519/step Wall: 3739.82, 0.00391518/step, 1.71311 hours remaining, 113.121094 MB of memory in use. ENERGY: 924800 641.4836 1825.9210 1969.4645 110.0275 0.7747 -1077.9882 0.0000 0.0000 2717.2103 6186.8934 300.1234 3469.6831 6217.8474 296.9071 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: 3740.6, 0.00392227/step Wall: 3740.6, 0.00392228/step, 1.716 hours remaining, 113.121094 MB of memory in use. ENERGY: 925000 635.8855 1865.2556 1930.2591 109.7965 0.1849 -1067.4483 0.0000 0.0000 2752.6598 6226.5930 304.0389 3473.9332 6258.9685 301.2725 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: 3741.39, 0.00392245/step Wall: 3741.39, 0.00392245/step, 1.71585 hours remaining, 113.121094 MB of memory in use. ENERGY: 925200 655.0950 1843.6753 1946.8134 108.3800 2.0948 -1073.6873 0.0000 0.0000 2648.8728 6131.2439 292.5754 3482.3711 6161.3861 300.1929 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: 3742.17, 0.00392091/step Wall: 3742.17, 0.00392091/step, 1.71496 hours remaining, 113.121094 MB of memory in use. ENERGY: 925400 662.0480 1875.0533 1946.0403 97.5698 2.1526 -1115.5382 0.0000 0.0000 2712.0532 6179.3790 299.5538 3467.3258 6211.2578 297.5999 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: 3742.95, 0.00392187/step Wall: 3742.95, 0.00392187/step, 1.71516 hours remaining, 113.121094 MB of memory in use. ENERGY: 925600 659.8398 1885.1965 1943.9654 113.4533 2.2801 -1112.0700 0.0000 0.0000 2708.0740 6200.7391 299.1143 3492.6651 6238.2066 299.1445 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: 3743.74, 0.00391475/step Wall: 3743.74, 0.00391475/step, 1.71183 hours remaining, 113.121094 MB of memory in use. ENERGY: 925800 650.3214 1852.1323 1987.7822 109.2398 1.9639 -1138.4650 0.0000 0.0000 2731.7556 6194.7302 301.7300 3462.9746 6229.4359 298.6436 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: 3744.52, 0.00392132/step Wall: 3744.52, 0.00392132/step, 1.71449 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 926000 642.0217 1878.0696 1951.4734 116.3093 -0.1026 -1087.0771 0.0000 0.0000 2680.0395 6180.7338 296.0178 3500.6943 6211.9873 300.0344 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: 3745.31, 0.00392158/step Wall: 3745.31, 0.00392158/step, 1.71438 hours remaining, 113.121094 MB of memory in use. ENERGY: 926200 666.2405 1836.1886 1992.1973 106.9249 3.0610 -1107.3941 0.0000 0.0000 2682.0112 6179.2293 296.2356 3497.2181 6209.4649 299.1887 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: 3746.09, 0.00392094/step Wall: 3746.09, 0.00392094/step, 1.71389 hours remaining, 113.121094 MB of memory in use. ENERGY: 926400 686.0802 1766.1127 1975.4425 108.7058 0.7842 -1094.9838 0.0000 0.0000 2762.9734 6205.1150 305.1781 3442.1416 6238.4320 299.5260 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: 3746.87, 0.00392152/step Wall: 3746.87, 0.00392153/step, 1.71393 hours remaining, 113.121094 MB of memory in use. ENERGY: 926600 680.9346 1828.5450 1969.5225 102.4680 0.9277 -1093.1846 0.0000 0.0000 2707.5764 6196.7896 299.0594 3489.2132 6228.0383 299.6512 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: 3747.66, 0.00391664/step Wall: 3747.66, 0.00391664/step, 1.71157 hours remaining, 113.121094 MB of memory in use. ENERGY: 926800 638.6688 1839.1676 1985.8564 100.8656 0.9532 -1117.6709 0.0000 0.0000 2782.1742 6230.0149 307.2989 3447.8406 6266.2450 300.8772 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: 3748.44, 0.00392262/step Wall: 3748.44, 0.00392262/step, 1.71397 hours remaining, 113.121094 MB of memory in use. ENERGY: 927000 646.5749 1828.2633 1953.0962 94.5480 1.7270 -1082.7645 0.0000 0.0000 2756.3692 6197.8142 304.4487 3441.4450 6235.1618 301.2695 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: 3749.23, 0.00392215/step Wall: 3749.23, 0.00392215/step, 1.71354 hours remaining, 113.121094 MB of memory in use. ENERGY: 927200 671.0283 1809.6314 1962.9452 107.3053 0.0940 -1094.1238 0.0000 0.0000 2715.7724 6172.6528 299.9646 3456.8804 6207.3558 299.2801 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: 3750.01, 0.00392196/step Wall: 3750.01, 0.00392196/step, 1.71324 hours remaining, 113.121094 MB of memory in use. ENERGY: 927400 631.0608 1850.6332 1951.2747 105.9527 1.5445 -1086.4634 0.0000 0.0000 2742.6521 6196.6545 302.9336 3454.0024 6231.2703 298.3817 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: 3750.79, 0.00391341/step Wall: 3750.79, 0.00391341/step, 1.70929 hours remaining, 113.121094 MB of memory in use. ENERGY: 927600 659.3193 1859.2844 1952.1245 113.6553 1.6366 -1094.4622 0.0000 0.0000 2706.7816 6198.3396 298.9716 3491.5579 6232.1329 299.6179 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: 3751.58, 0.00392226/step Wall: 3751.58, 0.00392226/step, 1.71294 hours remaining, 113.121094 MB of memory in use. ENERGY: 927800 645.8245 1855.8166 1946.6146 105.9204 2.0263 -1096.0638 0.0000 0.0000 2729.1946 6189.3332 301.4471 3460.1386 6224.7007 299.2016 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: 3752.36, 0.00392262/step Wall: 3752.36, 0.00392261/step, 1.71287 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 928000 620.7558 1905.4931 1949.0086 101.8262 1.8116 -1082.2231 0.0000 0.0000 2749.3703 6246.0424 303.6756 3496.6721 6279.4568 300.3555 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: 3753.15, 0.00392396/step Wall: 3753.15, 0.00392397/step, 1.71325 hours remaining, 113.121094 MB of memory in use. ENERGY: 928200 667.6171 1846.6440 1963.1565 115.4803 0.5830 -1087.8491 0.0000 0.0000 2701.7650 6207.3968 298.4175 3505.6318 6241.3209 302.0247 LDB: ============= START OF LOAD BALANCING ============== 3755.85 LDB: ============== END OF LOAD BALANCING =============== 3755.85 LDB: =============== DONE WITH MIGRATION ================ 3755.85 LDB: ============= START OF LOAD BALANCING ============== 3756.24 LDB: ============== END OF LOAD BALANCING =============== 3756.24 LDB: =============== DONE WITH MIGRATION ================ 3756.24 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: 3753.93, 0.00392715/step Wall: 3753.93, 0.00392715/step, 1.71442 hours remaining, 113.121094 MB of memory in use. ENERGY: 928400 684.3750 1853.0448 1981.8399 118.0146 0.4721 -1095.6270 0.0000 0.0000 2672.3868 6214.5062 295.1726 3542.1193 6243.5983 298.5588 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: 3754.72, 0.00391618/step Wall: 3754.72, 0.00391618/step, 1.70941 hours remaining, 113.121094 MB of memory in use. ENERGY: 928600 614.6872 1909.0186 2009.7095 107.0738 1.6037 -1138.3822 0.0000 0.0000 2708.0735 6211.7840 299.1143 3503.7105 6242.8713 299.7240 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: 3755.5, 0.00392288/step Wall: 3755.5, 0.00392288/step, 1.71212 hours remaining, 113.121094 MB of memory in use. ENERGY: 928800 659.3838 1850.5454 1991.9527 112.1170 0.4546 -1088.7863 0.0000 0.0000 2677.8896 6203.5568 295.7804 3525.6672 6235.4392 300.7639 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: 3756.29, 0.0039219/step Wall: 3756.29, 0.0039219/step, 1.71147 hours remaining, 113.121094 MB of memory in use. ENERGY: 929000 668.8210 1826.0269 1976.4837 110.0867 1.5844 -1070.8775 0.0000 0.0000 2719.2385 6231.3636 300.3475 3512.1251 6264.6566 301.5224 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: 3757.07, 0.00393008/step Wall: 3757.07, 0.00393008/step, 1.71483 hours remaining, 113.121094 MB of memory in use. ENERGY: 929200 657.4060 1871.2520 1926.6168 117.6158 2.1783 -1075.1375 0.0000 0.0000 2781.1238 6281.0552 307.1829 3499.9314 6317.3424 302.9731 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: 3757.85, 0.00391535/step Wall: 3757.85, 0.00391535/step, 1.70818 hours remaining, 113.121094 MB of memory in use. ENERGY: 929400 666.3497 1847.1906 1957.3276 106.7604 1.9351 -1081.4648 0.0000 0.0000 2724.5515 6222.6500 300.9343 3498.0986 6253.9684 301.5773 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: 3758.64, 0.00392414/step Wall: 3758.64, 0.00392414/step, 1.7118 hours remaining, 113.121094 MB of memory in use. ENERGY: 929600 666.5250 1907.2282 1950.2715 113.9520 2.3201 -1152.3544 0.0000 0.0000 2725.3756 6213.3181 301.0253 3487.9426 6245.9545 300.5807 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: 3759.42, 0.00392331/step Wall: 3759.42, 0.00392331/step, 1.71122 hours remaining, 113.121094 MB of memory in use. ENERGY: 929800 647.5752 1856.2462 1936.7100 102.0986 2.0518 -1090.9840 0.0000 0.0000 2740.4898 6194.1876 302.6947 3453.6977 6229.7641 301.1552 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: 3760.21, 0.0039248/step Wall: 3760.21, 0.0039248/step, 1.71165 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 930000 645.0315 1819.2859 1953.3752 108.2955 1.4004 -1110.3012 0.0000 0.0000 2707.8292 6124.9166 299.0873 3417.0874 6158.0454 299.1478 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 930000 WRITING COORDINATES TO DCD FILE MD.1.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: 3761.19, 0.00489176/step Wall: 3761.19, 0.00489176/step, 2.13308 hours remaining, 113.121094 MB of memory in use. ENERGY: 930200 680.7345 1805.1989 1975.7375 107.8344 1.6096 -1147.9243 0.0000 0.0000 2683.5917 6106.7823 296.4102 3423.1906 6137.3252 296.6375 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: 3761.97, 0.00392452/step Wall: 3761.97, 0.00392452/step, 1.71109 hours remaining, 113.121094 MB of memory in use. ENERGY: 930400 640.9645 1839.9670 1954.9362 97.3583 0.6740 -1127.8546 0.0000 0.0000 2660.0035 6066.0489 293.8048 3406.0453 6098.1190 294.8750 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: 3762.76, 0.00391798/step Wall: 3762.76, 0.00391798/step, 1.70802 hours remaining, 113.121094 MB of memory in use. ENERGY: 930600 622.8717 1863.9376 1936.7492 107.7583 -0.9302 -1109.3449 0.0000 0.0000 2634.4192 6055.4608 290.9789 3421.0416 6086.6897 292.7233 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: 3763.54, 0.00392377/step Wall: 3763.54, 0.00392377/step, 1.71033 hours remaining, 113.121094 MB of memory in use. ENERGY: 930800 646.6215 1871.6705 1950.9748 95.0346 1.2751 -1113.6345 0.0000 0.0000 2679.7671 6131.7092 295.9877 3451.9422 6159.3133 295.2035 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: 3764.33, 0.00392364/step Wall: 3764.33, 0.00392364/step, 1.71005 hours remaining, 113.121094 MB of memory in use. ENERGY: 931000 607.8996 1904.9014 1969.0460 110.1695 1.4327 -1102.7598 0.0000 0.0000 2681.3937 6172.0831 296.1674 3490.6894 6204.9960 296.7209 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: 3765.11, 0.00392327/step Wall: 3765.11, 0.00392327/step, 1.70968 hours remaining, 113.121094 MB of memory in use. ENERGY: 931200 658.0219 1867.6372 1964.4708 114.5329 0.7603 -1111.1586 0.0000 0.0000 2655.7158 6149.9803 293.3312 3494.2645 6180.6390 297.3355 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: 3765.89, 0.00391652/step Wall: 3765.89, 0.00391652/step, 1.70651 hours remaining, 113.121094 MB of memory in use. ENERGY: 931400 681.8517 1831.5954 1935.3171 115.6980 0.3784 -1083.7794 0.0000 0.0000 2700.7288 6181.7899 298.3030 3481.0610 6216.4875 297.7842 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: 3766.68, 0.00392344/step Wall: 3766.68, 0.00392344/step, 1.70931 hours remaining, 113.121094 MB of memory in use. ENERGY: 931600 676.5180 1848.8490 1946.0839 116.5089 0.6427 -1092.7945 0.0000 0.0000 2728.0382 6223.8462 301.3194 3495.8080 6256.0631 300.6856 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: 3767.46, 0.0039229/step Wall: 3767.46, 0.0039229/step, 1.70886 hours remaining, 113.121094 MB of memory in use. ENERGY: 931800 656.4506 1829.1704 1938.2379 106.4116 -0.1690 -1102.6199 0.0000 0.0000 2730.1670 6157.6487 301.5546 3427.4817 6189.8451 298.0517 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: 3768.25, 0.00392149/step Wall: 3768.25, 0.00392149/step, 1.70803 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 932000 646.1508 1802.5899 1975.2615 118.8258 1.2997 -1100.8294 0.0000 0.0000 2700.5887 6143.8870 298.2875 3443.2983 6176.4454 297.7655 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: 3769.03, 0.00392449/step Wall: 3769.03, 0.00392449/step, 1.70911 hours remaining, 113.121094 MB of memory in use. ENERGY: 932200 689.8882 1822.1990 1987.1264 120.5947 0.2441 -1109.2265 0.0000 0.0000 2674.5959 6185.4218 295.4166 3510.8259 6218.4667 299.0119 LDB: ============= START OF LOAD BALANCING ============== 3771.73 LDB: ============== END OF LOAD BALANCING =============== 3771.73 LDB: =============== DONE WITH MIGRATION ================ 3771.73 LDB: ============= START OF LOAD BALANCING ============== 3772.12 LDB: ============== END OF LOAD BALANCING =============== 3772.12 LDB: =============== DONE WITH MIGRATION ================ 3772.12 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: 3769.82, 0.00392058/step Wall: 3769.82, 0.00392058/step, 1.70719 hours remaining, 113.121094 MB of memory in use. ENERGY: 932400 693.8949 1836.4482 1965.0073 92.8780 0.8008 -1094.5229 0.0000 0.0000 2720.6000 6215.1062 300.4978 3494.5062 6251.0594 298.0780 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: 3770.6, 0.00392415/step Wall: 3770.6, 0.00392415/step, 1.70853 hours remaining, 113.121094 MB of memory in use. ENERGY: 932600 708.9596 1890.4465 1957.8319 112.4428 -0.1529 -1130.4279 0.0000 0.0000 2735.9328 6275.0328 302.1914 3539.1000 6307.4951 301.8498 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: 3771.39, 0.00392203/step Wall: 3771.39, 0.00392203/step, 1.70739 hours remaining, 113.121094 MB of memory in use. ENERGY: 932800 664.3550 1885.3279 1946.8997 106.9956 0.1606 -1078.4443 0.0000 0.0000 2761.3199 6286.6145 304.9955 3525.2946 6321.2351 303.9386 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: 3772.17, 0.0039221/step Wall: 3772.17, 0.0039221/step, 1.7072 hours remaining, 113.121094 MB of memory in use. ENERGY: 933000 643.5760 1868.3250 1944.0333 107.1849 1.1010 -1081.7068 0.0000 0.0000 2723.9507 6206.4640 300.8679 3482.5133 6239.6186 303.1210 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: 3772.95, 0.00392308/step Wall: 3772.95, 0.00392308/step, 1.70741 hours remaining, 113.121094 MB of memory in use. ENERGY: 933200 610.1009 1834.7985 1963.2473 103.8595 -0.3372 -1091.1956 0.0000 0.0000 2726.6759 6147.1493 301.1689 3420.4734 6183.9904 300.1411 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: 3773.74, 0.00391297/step Wall: 3773.74, 0.00391297/step, 1.70279 hours remaining, 113.121094 MB of memory in use. ENERGY: 933400 604.5097 1867.2727 1938.4906 103.2442 -0.3966 -1082.4838 0.0000 0.0000 2763.8162 6194.4531 305.2712 3430.6369 6227.1322 299.1232 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: 3774.52, 0.00392264/step Wall: 3774.52, 0.00392264/step, 1.70679 hours remaining, 113.121094 MB of memory in use. ENERGY: 933600 674.4223 1799.6028 1951.9796 111.4227 0.3180 -1103.7495 0.0000 0.0000 2724.0628 6158.0586 300.8803 3433.9959 6191.6890 297.8253 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: 3775.31, 0.0039224/step Wall: 3775.31, 0.0039224/step, 1.70646 hours remaining, 113.121094 MB of memory in use. ENERGY: 933800 669.9106 1778.3037 1952.6193 103.4312 1.9262 -1083.8428 0.0000 0.0000 2801.0060 6223.3542 309.3789 3422.3482 6261.5823 300.1351 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: 3776.09, 0.0039238/step Wall: 3776.09, 0.0039238/step, 1.70685 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 934000 662.8967 1858.5692 1943.9633 96.7770 1.1801 -1090.4712 0.0000 0.0000 2684.3271 6157.2424 296.4914 3472.9152 6188.0947 298.5974 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: 3776.87, 0.00391609/step Wall: 3776.87, 0.00391608/step, 1.70328 hours remaining, 113.121094 MB of memory in use. ENERGY: 934200 688.0572 1815.3897 1952.2011 111.5542 1.7671 -1101.8474 0.0000 0.0000 2705.1552 6172.2771 298.7919 3467.1219 6205.7657 300.2287 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: 3777.66, 0.00392124/step Wall: 3777.66, 0.00392125/step, 1.70531 hours remaining, 113.121094 MB of memory in use. ENERGY: 934400 641.6276 1842.0366 1986.7118 112.9493 1.8120 -1079.9831 0.0000 0.0000 2618.8500 6124.0043 289.2593 3505.1543 6151.9497 296.9508 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: 3778.44, 0.00392308/step Wall: 3778.44, 0.00392308/step, 1.70589 hours remaining, 113.121094 MB of memory in use. ENERGY: 934600 638.9074 1850.5108 1943.9495 100.0651 1.4731 -1084.4188 0.0000 0.0000 2710.5696 6161.0566 299.3900 3450.4870 6194.8441 297.1118 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: 3779.23, 0.00392269/step Wall: 3779.23, 0.00392269/step, 1.7055 hours remaining, 113.121094 MB of memory in use. ENERGY: 934800 636.7112 1839.7045 2006.8267 123.3440 1.6023 -1099.4986 0.0000 0.0000 2681.9338 6190.6239 296.2271 3508.6902 6219.7050 297.3363 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: 3780.01, 0.00392329/step Wall: 3780.01, 0.00392329/step, 1.70554 hours remaining, 113.121094 MB of memory in use. ENERGY: 935000 646.9162 1862.5286 1935.6281 106.7474 1.5713 -1101.8920 0.0000 0.0000 2734.8028 6186.3024 302.0666 3451.4996 6220.8251 299.3870 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: 3780.8, 0.00391811/step Wall: 3780.8, 0.00391811/step, 1.70307 hours remaining, 113.121094 MB of memory in use. ENERGY: 935200 655.8744 1810.2315 1962.3994 98.7076 2.1089 -1096.8414 0.0000 0.0000 2738.2861 6170.7666 302.4513 3432.4805 6205.5431 298.3555 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: 3781.58, 0.00392537/step Wall: 3781.58, 0.00392537/step, 1.70601 hours remaining, 113.121094 MB of memory in use. ENERGY: 935400 607.4616 1833.3564 1975.7417 112.7815 1.5781 -1069.2825 0.0000 0.0000 2718.0278 6179.6646 300.2137 3461.6368 6216.2993 298.7123 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: 3782.37, 0.00392367/step Wall: 3782.37, 0.00392367/step, 1.70505 hours remaining, 113.121094 MB of memory in use. ENERGY: 935600 640.4637 1879.0797 1949.8095 112.3239 0.6576 -1111.8671 0.0000 0.0000 2686.2563 6156.7237 296.7045 3470.4674 6187.7597 297.0281 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: 3783.15, 0.00392323/step Wall: 3783.15, 0.00392323/step, 1.70465 hours remaining, 113.121094 MB of memory in use. ENERGY: 935800 659.9043 1868.7377 1948.8057 103.3302 1.3024 -1119.7735 0.0000 0.0000 2755.1005 6217.4074 304.3085 3462.3070 6251.3290 299.8229 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: 3783.93, 0.00391572/step Wall: 3783.93, 0.00391572/step, 1.70116 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 936000 634.8072 1871.2130 1961.0193 115.6323 1.2003 -1081.9717 0.0000 0.0000 2733.7434 6235.6438 301.9496 3501.9004 6267.2198 302.2548 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: 3784.72, 0.00392233/step Wall: 3784.72, 0.00392233/step, 1.70382 hours remaining, 113.121094 MB of memory in use. ENERGY: 936200 697.2477 1871.9854 1981.5805 104.6106 0.2757 -1129.6961 0.0000 0.0000 2642.7496 6168.7534 291.8991 3526.0038 6200.4314 299.2025 LDB: ============= START OF LOAD BALANCING ============== 3787.42 LDB: ============== END OF LOAD BALANCING =============== 3787.42 LDB: =============== DONE WITH MIGRATION ================ 3787.42 LDB: ============= START OF LOAD BALANCING ============== 3787.81 LDB: ============== END OF LOAD BALANCING =============== 3787.81 LDB: =============== DONE WITH MIGRATION ================ 3787.81 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: 3785.5, 0.00392566/step Wall: 3785.5, 0.00392566/step, 1.70504 hours remaining, 113.121094 MB of memory in use. ENERGY: 936400 658.5985 1862.5420 1998.3564 105.6555 -0.6522 -1095.2843 0.0000 0.0000 2720.1173 6249.3332 300.4445 3529.2159 6283.0696 300.4128 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: 3786.29, 0.00392117/step Wall: 3786.29, 0.00392117/step, 1.70288 hours remaining, 113.121094 MB of memory in use. ENERGY: 936600 651.1601 1818.0914 2007.7018 114.2124 0.9197 -1108.6610 0.0000 0.0000 2760.5601 6243.9845 304.9116 3483.4244 6278.9574 303.3597 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: 3787.07, 0.00393448/step Wall: 3787.07, 0.00393448/step, 1.70844 hours remaining, 113.121094 MB of memory in use. ENERGY: 936800 693.6157 1863.2410 1995.0611 102.5960 0.4869 -1097.8676 0.0000 0.0000 2756.8119 6313.9450 304.4975 3557.1331 6343.6054 305.3946 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: 3787.86, 0.00391898/step Wall: 3787.86, 0.00391898/step, 1.70149 hours remaining, 113.121094 MB of memory in use. ENERGY: 937000 669.7050 1896.2856 1985.2376 108.2631 1.4953 -1126.4151 0.0000 0.0000 2751.0189 6285.5904 303.8577 3534.5715 6319.1085 305.2686 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: 3788.64, 0.00392404/step Wall: 3788.64, 0.00392404/step, 1.70347 hours remaining, 113.121094 MB of memory in use. ENERGY: 937200 674.8753 1861.0398 1975.3359 111.2959 1.2618 -1073.9937 0.0000 0.0000 2730.3706 6280.1858 301.5770 3549.8151 6314.5909 304.3969 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: 3789.43, 0.00391996/step Wall: 3789.43, 0.00391996/step, 1.70148 hours remaining, 113.121094 MB of memory in use. ENERGY: 937400 647.3007 1858.3164 1996.7710 105.8174 0.3427 -1101.3988 0.0000 0.0000 2722.3014 6229.4509 300.6858 3507.1495 6261.3135 301.9861 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: 3790.21, 0.00391852/step Wall: 3790.21, 0.00391852/step, 1.70064 hours remaining, 113.121094 MB of memory in use. ENERGY: 937600 652.7530 1846.2453 1982.1966 103.9037 0.2374 -1081.1168 0.0000 0.0000 2746.8326 6251.0517 303.3953 3504.2191 6284.8026 301.2227 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: 3790.99, 0.00391973/step Wall: 3790.99, 0.00391973/step, 1.70095 hours remaining, 113.121094 MB of memory in use. ENERGY: 937800 693.6398 1848.9249 1950.5429 109.6721 1.2203 -1084.7420 0.0000 0.0000 2675.1445 6194.4025 295.4772 3519.2580 6225.4876 301.2017 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: 3791.78, 0.00391119/step Wall: 3791.78, 0.00391119/step, 1.69702 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 938000 662.7873 1816.9456 1964.4559 111.0403 -0.6661 -1056.7840 0.0000 0.0000 2731.3119 6229.0910 301.6810 3497.7791 6265.8191 299.8632 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: 3792.56, 0.00392681/step Wall: 3792.56, 0.00392681/step, 1.70358 hours remaining, 113.121094 MB of memory in use. ENERGY: 938200 690.3449 1866.0122 1948.8536 110.9573 1.1577 -1097.3960 0.0000 0.0000 2731.1595 6251.0891 301.6642 3519.9296 6284.5146 302.5461 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: 3793.35, 0.00391966/step Wall: 3793.35, 0.00391966/step, 1.70026 hours remaining, 113.121094 MB of memory in use. ENERGY: 938400 656.9263 1876.6865 1939.9264 109.0539 0.3211 -1103.9947 0.0000 0.0000 2720.5347 6199.4540 300.4906 3478.9194 6235.4797 300.9558 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: 3794.13, 0.00391845/step Wall: 3794.13, 0.00391845/step, 1.69952 hours remaining, 113.121094 MB of memory in use. ENERGY: 938600 676.6757 1857.3353 1963.7489 102.6083 1.4475 -1106.9894 0.0000 0.0000 2656.0661 6150.8925 293.3699 3494.8263 6182.1959 298.1369 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: 3794.91, 0.00391376/step Wall: 3794.91, 0.00391376/step, 1.69727 hours remaining, 113.121094 MB of memory in use. ENERGY: 938800 654.7821 1825.7701 1935.1407 101.1398 1.4254 -1095.6392 0.0000 0.0000 2687.9993 6110.6182 296.8970 3422.6189 6141.5705 295.9138 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: 3795.7, 0.00392125/step Wall: 3795.7, 0.00392125/step, 1.7003 hours remaining, 113.121094 MB of memory in use. ENERGY: 939000 659.0342 1874.0542 1967.9420 119.1083 0.8051 -1100.2856 0.0000 0.0000 2667.5452 6188.2034 294.6378 3520.6582 6221.0741 296.8574 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: 3796.48, 0.00392167/step Wall: 3796.48, 0.00392167/step, 1.70026 hours remaining, 113.121094 MB of memory in use. ENERGY: 939200 647.2438 1877.2111 1969.1918 104.9198 0.7711 -1107.2611 0.0000 0.0000 2719.6765 6211.7529 300.3958 3492.0764 6245.1787 299.4609 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: 3797.27, 0.00392514/step Wall: 3797.27, 0.00392514/step, 1.70155 hours remaining, 113.121094 MB of memory in use. ENERGY: 939400 655.4743 1894.0062 1924.4438 93.4733 0.3442 -1064.3846 0.0000 0.0000 2728.5225 6231.8797 301.3729 3503.3572 6264.5599 301.5578 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: 3798.05, 0.00391997/step Wall: 3798.05, 0.00391997/step, 1.69909 hours remaining, 113.121094 MB of memory in use. ENERGY: 939600 659.0758 1879.8851 1967.8701 112.2353 -0.2123 -1082.5977 0.0000 0.0000 2704.2217 6240.4779 298.6888 3536.2562 6273.8414 303.0134 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: 3798.83, 0.0039133/step Wall: 3798.83, 0.0039133/step, 1.69598 hours remaining, 113.121094 MB of memory in use. ENERGY: 939800 662.4501 1877.6837 1967.3100 113.2562 1.1073 -1089.7438 0.0000 0.0000 2717.0117 6249.0753 300.1015 3532.0636 6282.2986 303.3180 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: 3799.62, 0.00391927/step Wall: 3799.62, 0.00391927/step, 1.69835 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 940000 647.5011 1876.5297 1966.6689 107.8220 0.2510 -1134.4080 0.0000 0.0000 2742.6817 6207.0463 302.9368 3464.3646 6240.8019 301.2197 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 940000 WRITING COORDINATES TO DCD FILE MD.1.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: 3800.44, 0.00413168/step Wall: 3800.44, 0.00413168/step, 1.79017 hours remaining, 113.121094 MB of memory in use. ENERGY: 940200 670.1559 1864.1379 1986.1063 125.3333 0.4926 -1136.3785 0.0000 0.0000 2715.4473 6225.2947 299.9287 3509.8474 6260.7831 301.0299 LDB: ============= START OF LOAD BALANCING ============== 3803.14 LDB: ============== END OF LOAD BALANCING =============== 3803.14 LDB: =============== DONE WITH MIGRATION ================ 3803.14 LDB: ============= START OF LOAD BALANCING ============== 3803.54 LDB: ============== END OF LOAD BALANCING =============== 3803.54 LDB: =============== DONE WITH MIGRATION ================ 3803.54 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: 3801.23, 0.00392746/step Wall: 3801.23, 0.00392746/step, 1.70146 hours remaining, 113.121094 MB of memory in use. ENERGY: 940400 664.9285 1818.9048 1991.3143 107.3783 0.7567 -1110.1258 0.0000 0.0000 2760.7641 6233.9210 304.9341 3473.1569 6268.6842 302.9375 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: 3802.01, 0.00392139/step Wall: 3802.01, 0.00392139/step, 1.69862 hours remaining, 113.121094 MB of memory in use. ENERGY: 940600 654.6889 1865.4354 1957.4391 117.7451 1.7079 -1145.2267 0.0000 0.0000 2732.7423 6184.5319 301.8390 3451.7896 6218.6193 302.2839 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: 3802.8, 0.0039158/step Wall: 3802.8, 0.0039158/step, 1.69598 hours remaining, 113.121094 MB of memory in use. ENERGY: 940800 650.4532 1863.8435 1984.4488 103.9385 -0.4072 -1121.2435 0.0000 0.0000 2743.5131 6224.5464 303.0287 3481.0333 6258.1876 300.8071 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: 3803.58, 0.00391937/step Wall: 3803.58, 0.00391937/step, 1.69731 hours remaining, 113.121094 MB of memory in use. ENERGY: 941000 690.8896 1876.9115 1947.7635 105.3335 0.1717 -1148.5299 0.0000 0.0000 2757.0815 6229.6215 304.5273 3472.5401 6261.4126 303.1557 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: 3804.36, 0.00391948/step Wall: 3804.36, 0.00391948/step, 1.69713 hours remaining, 113.121094 MB of memory in use. ENERGY: 941200 641.1427 1878.1182 1971.5753 109.9515 1.3305 -1153.8325 0.0000 0.0000 2775.3571 6223.6427 306.5459 3448.2856 6254.4432 302.5915 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: 3805.15, 0.00391926/step Wall: 3805.15, 0.00391926/step, 1.69682 hours remaining, 113.121094 MB of memory in use. ENERGY: 941400 632.3486 1911.5576 1947.5944 101.7695 1.4132 -1130.6007 0.0000 0.0000 2754.5105 6218.5931 304.2434 3464.0826 6250.7744 302.8051 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: 3805.93, 0.00391336/step Wall: 3805.93, 0.00391336/step, 1.69405 hours remaining, 113.121094 MB of memory in use. ENERGY: 941600 641.5201 1853.0757 1969.0489 120.2581 1.2921 -1113.7720 0.0000 0.0000 2723.0003 6194.4232 300.7630 3471.4229 6229.4234 302.7907 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: 3806.71, 0.00392009/step Wall: 3806.71, 0.00392009/step, 1.69675 hours remaining, 113.121094 MB of memory in use. ENERGY: 941800 687.9310 1861.8991 1945.5395 95.1294 0.6693 -1099.7819 0.0000 0.0000 2686.7816 6178.1679 296.7625 3491.3863 6209.1911 300.4837 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: 3807.5, 0.00391858/step Wall: 3807.5, 0.00391858/step, 1.69587 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 942000 669.2749 1871.4077 1941.3256 109.0475 0.5293 -1136.6912 0.0000 0.0000 2757.4977 6212.3916 304.5733 3454.8939 6248.2473 298.8627 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: 3808.28, 0.0039194/step Wall: 3808.28, 0.0039194/step, 1.69601 hours remaining, 113.121094 MB of memory in use. ENERGY: 942200 666.6101 1878.8522 1968.0828 100.8858 0.9233 -1107.0561 0.0000 0.0000 2701.7796 6210.0777 298.4191 3508.2981 6243.3022 301.1278 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: 3809.07, 0.0039195/step Wall: 3809.07, 0.0039195/step, 1.69584 hours remaining, 113.121094 MB of memory in use. ENERGY: 942400 644.6107 1876.8247 1942.3336 97.6590 0.5359 -1135.8003 0.0000 0.0000 2766.7744 6192.9379 305.5979 3426.1634 6227.5628 301.7014 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: 3809.85, 0.00391654/step Wall: 3809.85, 0.00391654/step, 1.69434 hours remaining, 113.121094 MB of memory in use. ENERGY: 942600 664.6097 1879.7427 1941.9304 107.4389 0.6073 -1109.9906 0.0000 0.0000 2674.1022 6158.4408 295.3620 3484.3386 6190.0388 298.5151 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: 3810.63, 0.003921/step Wall: 3810.63, 0.003921/step, 1.69605 hours remaining, 113.121094 MB of memory in use. ENERGY: 942800 644.3859 1914.4772 1941.5107 114.1827 1.4857 -1108.4047 0.0000 0.0000 2651.3931 6159.0306 292.8538 3507.6376 6188.2288 296.8508 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: 3811.42, 0.00392146/step Wall: 3811.42, 0.00392146/step, 1.69603 hours remaining, 113.121094 MB of memory in use. ENERGY: 943000 620.1568 1846.9810 1983.1208 108.4409 -1.0600 -1106.8390 0.0000 0.0000 2713.8229 6164.6234 299.7493 3450.8005 6196.2819 297.8002 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: 3812.2, 0.00391907/step Wall: 3812.2, 0.00391907/step, 1.69478 hours remaining, 113.121094 MB of memory in use. ENERGY: 943200 652.9244 1832.5614 1965.3590 114.6354 -0.0044 -1092.6804 0.0000 0.0000 2672.7560 6145.5514 295.2134 3472.7954 6181.1392 298.6430 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: 3812.98, 0.00391504/step Wall: 3812.98, 0.00391504/step, 1.69282 hours remaining, 113.121094 MB of memory in use. ENERGY: 943400 626.2115 1861.3862 1957.9879 109.3024 0.0743 -1120.6581 0.0000 0.0000 2740.7709 6175.0750 302.7258 3434.3041 6211.6513 298.9489 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: 3813.77, 0.00391883/step Wall: 3813.77, 0.00391883/step, 1.69424 hours remaining, 113.121094 MB of memory in use. ENERGY: 943600 693.0240 1853.6728 2007.8621 103.7990 0.4325 -1127.2272 0.0000 0.0000 2675.9976 6207.5609 295.5714 3531.5632 6236.2715 300.0010 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: 3814.55, 0.00391974/step Wall: 3814.55, 0.00391974/step, 1.69442 hours remaining, 113.121094 MB of memory in use. ENERGY: 943800 679.7222 1854.5852 1992.3028 111.1952 0.6362 -1107.7576 0.0000 0.0000 2686.7834 6217.4674 296.7627 3530.6840 6247.2265 299.6705 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: 3815.34, 0.00392208/step Wall: 3815.34, 0.00392208/step, 1.69521 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 944000 632.8784 1896.0344 1994.1348 102.6012 0.1213 -1139.2672 0.0000 0.0000 2694.4548 6180.9577 297.6100 3486.5029 6213.5693 300.1878 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: 3816.12, 0.00391991/step Wall: 3816.12, 0.00391991/step, 1.69405 hours remaining, 113.121094 MB of memory in use. ENERGY: 944200 679.6400 1860.9349 1957.4980 108.0145 0.8928 -1130.4146 0.0000 0.0000 2723.3380 6199.9036 300.8003 3476.5656 6232.5404 300.9269 LDB: ============= START OF LOAD BALANCING ============== 3818.82 LDB: ============== END OF LOAD BALANCING =============== 3818.82 LDB: =============== DONE WITH MIGRATION ================ 3818.82 LDB: ============= START OF LOAD BALANCING ============== 3819.21 LDB: ============== END OF LOAD BALANCING =============== 3819.21 LDB: =============== DONE WITH MIGRATION ================ 3819.21 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: 3816.9, 0.00391766/step Wall: 3816.9, 0.00391766/step, 1.69286 hours remaining, 113.121094 MB of memory in use. ENERGY: 944400 665.3376 1904.1149 1954.8543 96.4983 0.5386 -1130.9539 0.0000 0.0000 2723.2714 6213.6613 300.7929 3490.3899 6249.1317 301.3164 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: 3817.69, 0.00391914/step Wall: 3817.69, 0.00391914/step, 1.69329 hours remaining, 113.121094 MB of memory in use. ENERGY: 944600 672.5908 1870.8036 1969.4550 121.1703 -0.5963 -1141.4316 0.0000 0.0000 2743.5476 6235.5394 303.0325 3491.9918 6269.4825 300.9121 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: 3818.47, 0.00392076/step Wall: 3818.47, 0.00392076/step, 1.69377 hours remaining, 113.121094 MB of memory in use. ENERGY: 944800 639.4795 1892.3755 1954.9688 99.9335 -0.0977 -1113.2547 0.0000 0.0000 2731.4573 6204.8622 301.6971 3473.4049 6241.2386 302.1366 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: 3819.26, 0.00391932/step Wall: 3819.26, 0.00391932/step, 1.69293 hours remaining, 113.121094 MB of memory in use. ENERGY: 945000 683.9599 1851.1131 1951.0640 100.2539 0.8759 -1137.8729 0.0000 0.0000 2748.0888 6197.4827 303.5341 3449.3939 6231.4301 300.6560 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: 3820.04, 0.00391922/step Wall: 3820.04, 0.00391922/step, 1.69267 hours remaining, 113.121094 MB of memory in use. ENERGY: 945200 698.1392 1936.3009 1954.8464 104.0072 1.7659 -1122.4472 0.0000 0.0000 2765.2433 6337.8557 305.4288 3572.6124 6372.3643 303.4836 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: 3820.82, 0.0039124/step Wall: 3820.82, 0.0039124/step, 1.6895 hours remaining, 113.121094 MB of memory in use. ENERGY: 945400 676.0371 1899.1389 1967.2271 101.4792 2.0528 -1100.2951 0.0000 0.0000 2737.1496 6282.7897 302.3258 3545.6401 6315.7600 306.0813 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: 3821.61, 0.00391844/step Wall: 3821.61, 0.00391844/step, 1.6919 hours remaining, 113.121094 MB of memory in use. ENERGY: 945600 681.0617 1903.4803 1937.1840 114.3525 0.6141 -1098.3554 0.0000 0.0000 2732.6383 6270.9756 301.8275 3538.3372 6305.5425 303.7488 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: 3822.39, 0.0039197/step Wall: 3822.39, 0.0039197/step, 1.69222 hours remaining, 113.121094 MB of memory in use. ENERGY: 945800 690.8746 1888.4167 1939.8590 105.2039 1.0341 -1107.6127 0.0000 0.0000 2754.8488 6272.6245 304.2807 3517.7756 6304.0935 302.6582 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: 3823.17, 0.00392108/step Wall: 3823.17, 0.00392107/step, 1.6926 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 946000 652.3353 1890.0511 1928.0604 110.2660 1.9373 -1106.2021 0.0000 0.0000 2770.0935 6246.5415 305.9645 3476.4480 6278.5143 303.7268 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: 3823.96, 0.00391616/step Wall: 3823.96, 0.00391617/step, 1.69026 hours remaining, 113.121094 MB of memory in use. ENERGY: 946200 638.5513 1924.4498 1943.2243 128.5886 2.2996 -1078.0093 0.0000 0.0000 2693.3603 6252.4645 297.4891 3559.1042 6282.7597 303.3391 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: 3824.74, 0.00392187/step Wall: 3824.74, 0.00392187/step, 1.69251 hours remaining, 113.121094 MB of memory in use. ENERGY: 946400 652.2070 1856.6163 1954.3385 109.9975 2.3363 -1138.4691 0.0000 0.0000 2778.8799 6215.9064 306.9350 3437.0265 6251.3507 301.6350 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: 3825.53, 0.00392257/step Wall: 3825.53, 0.00392257/step, 1.69259 hours remaining, 113.121094 MB of memory in use. ENERGY: 946600 678.5204 1805.1232 1944.5016 108.4712 1.1669 -1119.8458 0.0000 0.0000 2760.2078 6178.1453 304.8726 3417.9375 6211.8120 301.7359 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: 3826.31, 0.00391975/step Wall: 3826.31, 0.00391975/step, 1.69115 hours remaining, 113.121094 MB of memory in use. ENERGY: 946800 685.6840 1864.9423 1956.3735 109.7360 2.7280 -1126.1418 0.0000 0.0000 2659.3491 6152.6710 293.7325 3493.3219 6183.6137 300.3092 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: 3827.09, 0.00392083/step Wall: 3827.09, 0.00392082/step, 1.6914 hours remaining, 113.121094 MB of memory in use. ENERGY: 947000 656.3174 1866.4167 2004.9171 100.4897 2.1116 -1123.4890 0.0000 0.0000 2677.6955 6184.4590 295.7589 3506.7635 6217.4955 298.2669 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: 3827.88, 0.00391607/step Wall: 3827.88, 0.00391607/step, 1.68913 hours remaining, 113.121094 MB of memory in use. ENERGY: 947200 669.6429 1875.0495 1981.6301 109.5737 2.2753 -1108.0869 0.0000 0.0000 2697.6635 6227.7481 297.9644 3530.0846 6261.0476 301.5311 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: 3828.66, 0.00392214/step Wall: 3828.66, 0.00392214/step, 1.69153 hours remaining, 113.121094 MB of memory in use. ENERGY: 947400 659.5422 1879.6988 2006.3074 95.5756 1.3187 -1062.7335 0.0000 0.0000 2654.6359 6234.3450 293.2119 3579.7092 6265.3915 301.5245 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: 3829.45, 0.003922/step Wall: 3829.45, 0.003922/step, 1.69125 hours remaining, 113.121094 MB of memory in use. ENERGY: 947600 629.6293 1840.9521 1979.1927 111.5404 1.9281 -1082.3438 0.0000 0.0000 2696.2057 6177.1046 297.8034 3480.8989 6210.7570 300.1462 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: 3830.23, 0.00391896/step Wall: 3830.23, 0.00391896/step, 1.68972 hours remaining, 113.121094 MB of memory in use. ENERGY: 947800 661.5177 1789.1330 1966.1540 97.0689 3.0496 -1103.1650 0.0000 0.0000 2732.0079 6145.7661 301.7579 3413.7582 6179.6543 298.4364 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: 3831.01, 0.00391338/step Wall: 3831.01, 0.00391338/step, 1.6871 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 948000 645.8704 1862.3839 1967.6715 91.9675 2.4793 -1131.2177 0.0000 0.0000 2712.1254 6151.2803 299.5618 3439.1550 6181.5801 299.0273 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: 3831.8, 0.00392023/step Wall: 3831.8, 0.00392023/step, 1.68984 hours remaining, 113.121094 MB of memory in use. ENERGY: 948200 661.1423 1829.8466 1969.9369 116.6252 2.1496 -1096.4640 0.0000 0.0000 2766.0016 6249.2383 305.5126 3483.2367 6284.7543 300.7946 LDB: ============= START OF LOAD BALANCING ============== 3834.5 LDB: ============== END OF LOAD BALANCING =============== 3834.5 LDB: =============== DONE WITH MIGRATION ================ 3834.5 LDB: ============= START OF LOAD BALANCING ============== 3834.89 LDB: ============== END OF LOAD BALANCING =============== 3834.89 LDB: =============== DONE WITH MIGRATION ================ 3834.89 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: 3832.58, 0.0039259/step Wall: 3832.58, 0.0039259/step, 1.69206 hours remaining, 113.121094 MB of memory in use. ENERGY: 948400 674.7450 1880.2875 1984.0616 116.8037 0.6796 -1089.2722 0.0000 0.0000 2656.8026 6224.1078 293.4513 3567.3052 6256.8935 302.8215 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: 3833.37, 0.00392227/step Wall: 3833.37, 0.00392227/step, 1.69028 hours remaining, 113.121094 MB of memory in use. ENERGY: 948600 655.7782 1876.4377 1951.8805 108.0666 0.8320 -1101.0461 0.0000 0.0000 2705.6225 6197.5715 298.8435 3491.9490 6229.3193 302.1083 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: 3834.15, 0.00391886/step Wall: 3834.15, 0.00391886/step, 1.68859 hours remaining, 113.121094 MB of memory in use. ENERGY: 948800 657.6992 1874.3772 1961.9676 104.0270 1.9173 -1115.9390 0.0000 0.0000 2741.3004 6225.3495 302.7843 3484.0492 6261.9780 301.4690 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: 3834.93, 0.00391373/step Wall: 3834.93, 0.00391373/step, 1.68617 hours remaining, 113.121094 MB of memory in use. ENERGY: 949000 646.7436 1924.3930 1944.5489 105.5420 1.7132 -1125.7314 0.0000 0.0000 2724.3296 6221.5389 300.9098 3497.2093 6251.3585 302.1345 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: 3835.72, 0.00391965/step Wall: 3835.72, 0.00391965/step, 1.6885 hours remaining, 113.121094 MB of memory in use. ENERGY: 949200 666.2554 1876.4742 1963.9206 111.7397 0.8539 -1121.3917 0.0000 0.0000 2715.8864 6213.7385 299.9772 3497.8521 6248.4541 301.2911 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: 3836.5, 0.00391996/step Wall: 3836.5, 0.00391996/step, 1.68841 hours remaining, 113.121094 MB of memory in use. ENERGY: 949400 663.4087 1857.4969 1933.9715 108.7377 1.8519 -1128.1430 0.0000 0.0000 2784.8438 6222.1676 307.5938 3437.3238 6254.9092 301.4014 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: 3837.29, 0.00393342/step Wall: 3837.29, 0.00393342/step, 1.694 hours remaining, 113.121094 MB of memory in use. ENERGY: 949600 689.5275 1828.6918 1955.4576 104.3981 1.3345 -1142.9670 0.0000 0.0000 2766.9980 6203.4406 305.6226 3436.4426 6239.9420 302.1475 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: 3838.07, 0.00392046/step Wall: 3838.07, 0.00392046/step, 1.68819 hours remaining, 113.121094 MB of memory in use. ENERGY: 949800 660.7616 1885.6580 1939.7109 110.5094 1.9231 -1117.8630 0.0000 0.0000 2715.6882 6196.3881 299.9553 3480.7000 6226.7656 302.1654 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: 3838.85, 0.00391616/step Wall: 3838.85, 0.00391616/step, 1.68612 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 950000 673.6023 1831.0413 1951.1742 105.1592 1.9209 -1148.3586 0.0000 0.0000 2723.4120 6137.9514 300.8084 3414.5394 6172.5288 299.3204 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 950000 WRITING COORDINATES TO DCD FILE MD.1.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: 3839.69, 0.00419641/step Wall: 3839.69, 0.00419641/step, 1.80655 hours remaining, 113.121094 MB of memory in use. ENERGY: 950200 632.4838 1866.5974 1947.2567 106.7935 2.4528 -1114.3807 0.0000 0.0000 2696.0584 6137.2618 297.7872 3441.2035 6170.1060 298.3062 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: 3840.48, 0.0039203/step Wall: 3840.48, 0.0039203/step, 1.68747 hours remaining, 113.121094 MB of memory in use. ENERGY: 950400 645.8580 1858.0428 1916.7672 117.2567 1.2548 -1108.6171 0.0000 0.0000 2670.8828 6101.4452 295.0064 3430.5624 6131.1107 296.6454 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: 3841.26, 0.00391789/step Wall: 3841.26, 0.00391789/step, 1.68622 hours remaining, 113.121094 MB of memory in use. ENERGY: 950600 680.8841 1874.4702 1932.2666 100.8732 2.0656 -1163.4426 0.0000 0.0000 2694.8276 6121.9448 297.6512 3427.1171 6153.1247 297.2367 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: 3842.04, 0.0039135/step Wall: 3842.04, 0.0039135/step, 1.68411 hours remaining, 113.121094 MB of memory in use. ENERGY: 950800 662.3297 1815.7949 1945.3665 112.6451 -0.4855 -1129.9309 0.0000 0.0000 2654.1690 6059.8889 293.1604 3405.7198 6093.8989 296.1588 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: 3842.83, 0.00391961/step Wall: 3842.83, 0.00391961/step, 1.68652 hours remaining, 113.121094 MB of memory in use. ENERGY: 951000 630.0996 1814.9778 1954.0095 115.9976 -0.2958 -1107.5760 0.0000 0.0000 2642.4595 6049.6722 291.8670 3407.2127 6080.2297 293.2523 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: 3843.61, 0.00391893/step Wall: 3843.61, 0.00391893/step, 1.68601 hours remaining, 113.121094 MB of memory in use. ENERGY: 951200 697.7768 1820.1538 1937.9254 103.5746 1.4443 -1120.4187 0.0000 0.0000 2659.4002 6099.8564 293.7382 3440.4561 6130.7787 293.9646 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: 3844.4, 0.00391798/step Wall: 3844.4, 0.00391798/step, 1.68538 hours remaining, 113.121094 MB of memory in use. ENERGY: 951400 622.3328 1864.3003 1968.4340 115.1768 1.1100 -1108.2835 0.0000 0.0000 2694.5277 6157.5981 297.6181 3463.0704 6190.7991 296.2024 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: 3845.18, 0.00391615/step Wall: 3845.18, 0.00391615/step, 1.68438 hours remaining, 113.121094 MB of memory in use. ENERGY: 951600 635.3314 1852.7228 1961.0103 100.9051 1.1426 -1112.0745 0.0000 0.0000 2736.0620 6175.0998 302.2057 3439.0377 6208.1435 299.8067 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: 3845.96, 0.00391149/step Wall: 3845.96, 0.00391149/step, 1.68216 hours remaining, 113.121094 MB of memory in use. ENERGY: 951800 695.9067 1856.2692 1958.8456 117.6438 0.9579 -1135.8768 0.0000 0.0000 2648.9501 6142.6965 292.5839 3493.7464 6175.5957 299.3028 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: 3846.75, 0.00392108/step Wall: 3846.75, 0.00392108/step, 1.68606 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 952000 694.2927 1867.8450 1946.6658 109.1337 1.1205 -1156.2264 0.0000 0.0000 2726.4511 6189.2826 301.1441 3462.8315 6221.8092 299.4256 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: 3847.53, 0.00392038/step Wall: 3847.53, 0.00392038/step, 1.68554 hours remaining, 113.121094 MB of memory in use. ENERGY: 952200 656.2963 1879.0920 1977.9644 103.6785 1.4216 -1105.9338 0.0000 0.0000 2676.1794 6188.6983 295.5915 3512.5189 6218.2629 299.8705 LDB: ============= START OF LOAD BALANCING ============== 3850.23 LDB: ============== END OF LOAD BALANCING =============== 3850.23 LDB: =============== DONE WITH MIGRATION ================ 3850.23 LDB: ============= START OF LOAD BALANCING ============== 3850.62 LDB: ============== END OF LOAD BALANCING =============== 3850.62 LDB: =============== DONE WITH MIGRATION ================ 3850.62 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: 3848.31, 0.00392528/step Wall: 3848.31, 0.00392528/step, 1.68743 hours remaining, 113.121094 MB of memory in use. ENERGY: 952400 671.7504 1873.9604 1960.5951 105.5597 -0.3287 -1152.5419 0.0000 0.0000 2700.0798 6159.0749 298.2313 3458.9951 6190.5108 299.5723 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: 3849.1, 0.00391818/step Wall: 3849.1, 0.00391818/step, 1.68417 hours remaining, 113.121094 MB of memory in use. ENERGY: 952600 666.4515 1862.6282 1972.8951 102.0004 0.4950 -1135.5834 0.0000 0.0000 2665.7240 6134.6109 294.4366 3468.8868 6166.2474 298.0399 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: 3849.88, 0.00391237/step Wall: 3849.88, 0.00391237/step, 1.68145 hours remaining, 113.121094 MB of memory in use. ENERGY: 952800 646.3480 1856.0925 1951.2996 112.3350 1.1827 -1133.8997 0.0000 0.0000 2702.2458 6135.6039 298.4706 3433.3581 6170.3943 299.3838 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: 3850.66, 0.00391703/step Wall: 3850.66, 0.00391703/step, 1.68323 hours remaining, 113.121094 MB of memory in use. ENERGY: 953000 667.1304 1883.0655 1987.9610 112.1150 1.4351 -1152.4533 0.0000 0.0000 2710.0660 6209.3197 299.3343 3499.2537 6241.2619 300.1457 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: 3851.45, 0.00391657/step Wall: 3851.45, 0.00391657/step, 1.68282 hours remaining, 113.121094 MB of memory in use. ENERGY: 953200 649.8110 1838.6804 2004.2272 120.2012 1.0977 -1112.7308 0.0000 0.0000 2715.7787 6217.0655 299.9653 3501.2868 6252.4146 302.7478 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: 3852.23, 0.00391599/step Wall: 3852.23, 0.00391599/step, 1.68235 hours remaining, 113.121094 MB of memory in use. ENERGY: 953400 637.0881 1832.0686 1968.3940 110.3100 0.7146 -1103.0017 0.0000 0.0000 2783.5546 6229.1282 307.4514 3445.5736 6264.6257 301.4677 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: 3853.01, 0.00391135/step Wall: 3853.01, 0.00391135/step, 1.68014 hours remaining, 113.121094 MB of memory in use. ENERGY: 953600 652.4910 1848.0591 1975.7677 95.1391 1.1055 -1110.4376 0.0000 0.0000 2745.3822 6207.5070 303.2351 3462.1248 6242.1486 301.1418 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: 3853.8, 0.00391627/step Wall: 3853.8, 0.00391627/step, 1.68204 hours remaining, 113.121094 MB of memory in use. ENERGY: 953800 728.0224 1862.3849 1959.7615 98.4391 1.6851 -1121.3841 0.0000 0.0000 2665.5676 6194.4766 294.4194 3528.9090 6226.4995 299.8657 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: 3854.58, 0.00391726/step Wall: 3854.58, 0.00391726/step, 1.68225 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 954000 658.9429 1847.6931 1981.2886 121.3134 1.3176 -1125.9347 0.0000 0.0000 2733.7451 6218.3660 301.9498 3484.6210 6252.4086 300.4972 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: 3855.36, 0.00391672/step Wall: 3855.36, 0.00391672/step, 1.68179 hours remaining, 113.121094 MB of memory in use. ENERGY: 954200 664.7928 1851.6402 1964.5401 114.3282 0.4798 -1081.8423 0.0000 0.0000 2725.4584 6239.3972 301.0345 3513.9388 6273.4266 302.0703 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: 3856.15, 0.00391791/step Wall: 3856.15, 0.00391791/step, 1.68209 hours remaining, 113.121094 MB of memory in use. ENERGY: 954400 661.9873 1858.0193 1968.5407 100.1415 1.8864 -1112.6667 0.0000 0.0000 2690.5678 6168.4762 297.1807 3477.9085 6200.1535 300.7692 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: 3856.93, 0.00391093/step Wall: 3856.93, 0.00391093/step, 1.67887 hours remaining, 113.121094 MB of memory in use. ENERGY: 954600 708.4466 1878.6009 1956.1630 91.2809 1.0861 -1093.6972 0.0000 0.0000 2648.7022 6190.5825 292.5565 3541.8802 6220.1274 300.4697 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: 3857.71, 0.00391694/step Wall: 3857.71, 0.00391694/step, 1.68124 hours remaining, 113.121094 MB of memory in use. ENERGY: 954800 663.4238 1845.7114 1959.6382 115.8872 1.5143 -1091.3233 0.0000 0.0000 2696.2949 6191.1464 297.8133 3494.8515 6224.1453 299.9832 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: 3858.5, 0.00391949/step Wall: 3858.5, 0.00391949/step, 1.68211 hours remaining, 113.121094 MB of memory in use. ENERGY: 955000 661.9559 1846.5176 1962.9225 113.2007 1.6208 -1097.5433 0.0000 0.0000 2688.1141 6176.7883 296.9097 3488.6742 6209.7917 301.0027 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: 3859.28, 0.00391754/step Wall: 3859.28, 0.00391754/step, 1.68106 hours remaining, 113.121094 MB of memory in use. ENERGY: 955200 654.9640 1833.0964 1924.5357 99.1679 1.0585 -1096.9099 0.0000 0.0000 2708.7235 6124.6362 299.1861 3415.9126 6160.1087 296.0985 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: 3860.06, 0.0039113/step Wall: 3860.06, 0.0039113/step, 1.67817 hours remaining, 113.121094 MB of memory in use. ENERGY: 955400 638.9980 1832.4920 1939.5087 114.3846 2.2145 -1067.4273 0.0000 0.0000 2655.1956 6115.3661 293.2738 3460.1704 6146.7204 295.3301 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: 3860.85, 0.00391841/step Wall: 3860.85, 0.00391841/step, 1.681 hours remaining, 113.121094 MB of memory in use. ENERGY: 955600 651.4416 1809.0176 1976.5170 116.9832 2.0495 -1069.9969 0.0000 0.0000 2597.3257 6083.3379 286.8819 3486.0121 6114.3214 294.1730 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: 3861.63, 0.00391804/step Wall: 3861.63, 0.00391803/step, 1.68062 hours remaining, 113.121094 MB of memory in use. ENERGY: 955800 609.5376 1818.0845 1928.8899 105.3085 0.3308 -1110.6266 0.0000 0.0000 2662.1686 6013.6934 294.0439 3351.5247 6047.4664 292.6946 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: 3862.41, 0.00391794/step Wall: 3862.41, 0.00391795/step, 1.68036 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 956000 651.8388 1787.1289 1952.4736 107.6713 1.9344 -1134.1955 0.0000 0.0000 2676.6039 6043.4554 295.6384 3366.8515 6075.3082 290.8826 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: 3863.2, 0.00391722/step Wall: 3863.2, 0.00391722/step, 1.67983 hours remaining, 113.121094 MB of memory in use. ENERGY: 956200 619.8491 1813.5424 1944.2691 100.8188 1.7390 -1075.8652 0.0000 0.0000 2651.9589 6056.3121 292.9163 3404.3532 6086.7717 290.1411 LDB: ============= START OF LOAD BALANCING ============== 3865.9 LDB: ============== END OF LOAD BALANCING =============== 3865.9 LDB: =============== DONE WITH MIGRATION ================ 3865.9 LDB: ============= START OF LOAD BALANCING ============== 3866.29 LDB: ============== END OF LOAD BALANCING =============== 3866.29 LDB: =============== DONE WITH MIGRATION ================ 3866.29 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: 3863.98, 0.00391622/step Wall: 3863.98, 0.00391622/step, 1.67919 hours remaining, 113.121094 MB of memory in use. ENERGY: 956400 647.5817 1868.6631 1969.9717 99.8539 2.2564 -1133.0272 0.0000 0.0000 2617.3830 6072.6827 289.0972 3455.2997 6101.1036 291.8593 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: 3864.76, 0.00391714/step Wall: 3864.76, 0.00391714/step, 1.67936 hours remaining, 113.121094 MB of memory in use. ENERGY: 956600 621.8695 1856.1258 1963.9679 112.6642 1.5123 -1131.7591 0.0000 0.0000 2669.0865 6093.4672 294.8080 3424.3807 6126.6212 294.1858 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: 3865.55, 0.0039179/step Wall: 3865.55, 0.0039179/step, 1.67947 hours remaining, 113.121094 MB of memory in use. ENERGY: 956800 679.8187 1847.5026 1941.2752 117.4083 2.0996 -1132.3023 0.0000 0.0000 2681.7235 6137.5254 296.2038 3455.8019 6170.5511 296.9765 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: 3866.33, 0.00391668/step Wall: 3866.33, 0.00391668/step, 1.67873 hours remaining, 113.121094 MB of memory in use. ENERGY: 957000 608.2487 1833.0289 1940.4144 114.2902 1.9280 -1117.9152 0.0000 0.0000 2744.7842 6124.7792 303.1691 3379.9950 6162.0728 298.2756 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: 3867.11, 0.00391738/step Wall: 3867.11, 0.00391738/step, 1.67881 hours remaining, 113.121094 MB of memory in use. ENERGY: 957200 675.3410 1822.8526 1969.4688 89.5136 2.4048 -1121.8955 0.0000 0.0000 2726.8987 6164.5839 301.1936 3437.6852 6199.3386 298.8647 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: 3867.9, 0.00391178/step Wall: 3867.9, 0.00391178/step, 1.6762 hours remaining, 113.121094 MB of memory in use. ENERGY: 957400 641.8562 1840.6981 1952.3184 109.1646 1.5590 -1098.2431 0.0000 0.0000 2700.0973 6147.4506 298.2333 3447.3532 6178.8799 298.9455 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: 3868.68, 0.00391828/step Wall: 3868.68, 0.00391828/step, 1.67877 hours remaining, 113.121094 MB of memory in use. ENERGY: 957600 637.1302 1864.0842 1936.6507 123.5732 1.4801 -1121.3925 0.0000 0.0000 2659.4108 6100.9368 293.7393 3441.5260 6132.1012 295.0643 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: 3869.46, 0.0039186/step Wall: 3869.46, 0.0039186/step, 1.67868 hours remaining, 113.121094 MB of memory in use. ENERGY: 957800 656.6473 1815.2854 1955.4118 100.2885 1.9492 -1078.2272 0.0000 0.0000 2662.2433 6113.5983 294.0522 3451.3550 6147.8565 295.8351 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: 3870.25, 0.00391865/step Wall: 3870.25, 0.00391865/step, 1.67849 hours remaining, 113.121094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 958000 633.3985 1825.6558 1954.8206 92.3104 1.3844 -1103.5600 0.0000 0.0000 2744.3515 6148.3612 303.1213 3404.0098 6179.9501 296.2544 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: 3871.03, 0.00391616/step Wall: 3871.03, 0.00391616/step, 1.6772 hours remaining, 113.121094 MB of memory in use. ENERGY: 958200 628.6229 1895.9431 1947.9860 103.8629 2.4799 -1103.2651 0.0000 0.0000 2660.5053 6136.1349 293.8602 3475.6296 6168.0206 298.4698 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: 3871.81, 0.00391936/step Wall: 3871.81, 0.00391936/step, 1.67836 hours remaining, 113.121094 MB of memory in use. ENERGY: 958400 637.7344 1843.5955 1962.1714 101.2757 1.4231 -1108.7519 0.0000 0.0000 2666.6069 6104.0552 294.5342 3437.4482 6134.1371 295.3136 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: 3872.6, 0.00391924/step Wall: 3872.6, 0.00391924/step, 1.67809 hours remaining, 113.121094 MB of memory in use. ENERGY: 958600 660.5672 1840.7972 1977.4642 100.5993 3.1121 -1093.4132 0.0000 0.0000 2649.3300 6138.4567 292.6259 3489.1267 6169.5390 295.7538 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: 3873.38, 0.0039199/step Wall: 3873.38, 0.0039199/step, 1.67815 hours remaining, 113.121094 MB of memory in use. ENERGY: 958800 689.0909 1850.7616 1946.0790 97.3215 1.4748 -1105.5437 0.0000 0.0000 2700.9774 6180.1615 298.3305 3479.1842 6211.9573 298.3123 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: 3874.17, 0.0039205/step Wall: 3874.17, 0.0039205/step, 1.67819 hours remaining, 113.121094 MB of memory in use. ENERGY: 959000 677.1183 1870.2434 1961.4410 102.3336 1.7127 -1114.4323 0.0000 0.0000 2696.5416 6194.9583 297.8405 3498.4167 6227.2155 300.0583 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: 3874.95, 0.00391577/step Wall: 3874.95, 0.00391577/step, 1.67595 hours remaining, 113.121094 MB of memory in use. ENERGY: 959200 673.5119 1821.3764 1951.1411 123.8501 2.1741 -1098.2780 0.0000 0.0000 2675.5048 6149.2804 295.5170 3473.7756 6181.1865 297.7700 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: 3875.73, 0.00392003/step Wall: 3875.73, 0.00392003/step, 1.67755 hours remaining, 113.121094 MB of memory in use. ENERGY: 959400 653.9280 1851.8586 1946.3323 107.3826 1.8143 -1128.1256 0.0000 0.0000 2772.4805 6205.6707 306.2282 3433.1902 6239.2465 301.5994 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: 3876.52, 0.00391975/step Wall: 3876.52, 0.00391975/step, 1.67722 hours remaining, 113.121094 MB of memory in use. ENERGY: 959600 677.4838 1900.4683 1938.1079 97.4725 0.4117 -1120.1284 0.0000 0.0000 2721.9892 6215.8050 300.6513 3493.8158 6249.4744 301.3221 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: 3877.3, 0.00392752/step Wall: 3877.3, 0.00392752/step, 1.68032 hours remaining, 113.121094 MB of memory in use. ENERGY: 959800 688.3721 1881.5426 1935.3315 105.0851 1.6188 -1128.6020 0.0000 0.0000 2718.2171 6201.5652 300.2347 3483.3481 6235.7585 300.6580 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: 3878.08, 0.00391544/step Wall: 3878.08, 0.00391544/step, 1.67494 hours remaining, 113.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 960000 663.5949 1880.5023 1943.9704 110.8735 1.4774 -1127.4197 0.0000 0.0000 2706.6234 6179.6222 298.9541 3472.9988 6213.1980 301.5458 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 960000 WRITING COORDINATES TO DCD FILE MD.1.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: 3878.9, 0.00409084/step Wall: 3878.9, 0.00409084/step, 1.74974 hours remaining, 113.261719 MB of memory in use. ENERGY: 960200 683.0668 1814.7441 1967.1556 118.2202 0.9420 -1111.2896 0.0000 0.0000 2704.2537 6177.0926 298.6924 3472.8389 6207.6063 300.6725 LDB: ============= START OF LOAD BALANCING ============== 3881.6 LDB: ============== END OF LOAD BALANCING =============== 3881.6 LDB: =============== DONE WITH MIGRATION ================ 3881.6 LDB: ============= START OF LOAD BALANCING ============== 3882 LDB: ============== END OF LOAD BALANCING =============== 3882 LDB: =============== DONE WITH MIGRATION ================ 3882 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: 3879.69, 0.00392398/step Wall: 3879.69, 0.00392398/step, 1.67816 hours remaining, 113.261719 MB of memory in use. ENERGY: 960400 673.4790 1850.9376 1965.5319 107.1254 1.9270 -1066.8275 0.0000 0.0000 2750.9892 6283.1625 303.8544 3532.1733 6317.2424 302.1966 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: 3880.47, 0.00391852/step Wall: 3880.47, 0.00391852/step, 1.6756 hours remaining, 113.261719 MB of memory in use. ENERGY: 960600 626.3995 1831.7967 1982.5185 102.3348 0.3553 -1048.1978 0.0000 0.0000 2781.5288 6276.7358 307.2276 3495.2070 6311.8790 304.1802 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: 3881.26, 0.00391874/step Wall: 3881.26, 0.00391874/step, 1.67548 hours remaining, 113.261719 MB of memory in use. ENERGY: 960800 654.4362 1857.7652 1977.7153 117.3021 2.1740 -1068.2747 0.0000 0.0000 2722.4185 6263.5365 300.6987 3541.1180 6294.9973 304.1536 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: 3882.04, 0.00391169/step Wall: 3882.04, 0.00391169/step, 1.67225 hours remaining, 113.261719 MB of memory in use. ENERGY: 961000 673.5189 1842.1327 1948.4814 121.4701 0.9030 -1045.5682 0.0000 0.0000 2721.5004 6262.4383 300.5973 3540.9379 6295.4064 303.7649 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: 3882.82, 0.00391753/step Wall: 3882.82, 0.00391753/step, 1.67453 hours remaining, 113.261719 MB of memory in use. ENERGY: 961200 670.5202 1819.1043 1949.4646 115.0231 0.5934 -1054.5354 0.0000 0.0000 2761.9176 6262.0878 305.0615 3500.1702 6295.0682 304.2869 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: 3883.6, 0.00391572/step Wall: 3883.6, 0.00391572/step, 1.67353 hours remaining, 113.261719 MB of memory in use. ENERGY: 961400 614.9774 1844.8221 1958.5349 121.2568 1.4029 -1086.4338 0.0000 0.0000 2721.3787 6175.9389 300.5839 3454.5603 6209.8030 299.9180 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: 3884.39, 0.00391765/step Wall: 3884.39, 0.00391764/step, 1.67414 hours remaining, 113.261719 MB of memory in use. ENERGY: 961600 640.6778 1860.1874 1926.5306 111.2229 1.1888 -1101.1604 0.0000 0.0000 2629.7372 6068.3844 290.4618 3438.6472 6098.6898 296.3377 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: 3885.17, 0.00391769/step Wall: 3885.17, 0.0039177/step, 1.67394 hours remaining, 113.261719 MB of memory in use. ENERGY: 961800 673.1294 1801.6225 1946.6357 104.3637 0.4506 -1098.2984 0.0000 0.0000 2632.1283 6060.0318 290.7259 3427.9036 6088.6169 291.9815 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: 3885.95, 0.00391278/step Wall: 3885.95, 0.00391278/step, 1.67163 hours remaining, 113.261719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 962000 641.2731 1797.7920 1950.4616 126.6928 2.1424 -1112.1545 0.0000 0.0000 2712.4751 6118.6825 299.6004 3406.2074 6150.9360 294.4004 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: 3886.74, 0.00391863/step Wall: 3886.74, 0.00391863/step, 1.67391 hours remaining, 113.261719 MB of memory in use. ENERGY: 962200 670.5814 1824.3396 1913.4641 95.9041 1.2476 -1077.0440 0.0000 0.0000 2725.6674 6154.1603 301.0576 3428.4928 6188.1632 297.0459 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: 3887.52, 0.00391726/step Wall: 3887.52, 0.00391726/step, 1.6731 hours remaining, 113.265625 MB of memory in use. ENERGY: 962400 674.0112 1798.4910 1947.5902 110.9294 0.9890 -1118.2906 0.0000 0.0000 2711.3982 6125.1184 299.4815 3413.7203 6159.5939 298.1414 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: 3888.3, 0.00391799/step Wall: 3888.3, 0.00391799/step, 1.6732 hours remaining, 113.265625 MB of memory in use. ENERGY: 962600 635.4044 1851.7304 1956.3081 118.2505 0.6831 -1103.2593 0.0000 0.0000 2672.7552 6131.8723 295.2133 3459.1171 6162.7010 296.3896 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: 3889.09, 0.00391259/step Wall: 3889.09, 0.00391259/step, 1.67068 hours remaining, 113.265625 MB of memory in use. ENERGY: 962800 646.4340 1843.8327 1932.5182 94.3399 0.1429 -1089.9535 0.0000 0.0000 2765.1680 6192.4823 305.4205 3427.3143 6226.7038 296.3905 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: 3889.87, 0.00391826/step Wall: 3889.87, 0.00391826/step, 1.67288 hours remaining, 113.265625 MB of memory in use. ENERGY: 963000 674.7034 1864.7220 1966.3540 95.2036 0.7155 -1115.7647 0.0000 0.0000 2693.1524 6179.0862 297.4662 3485.9337 6212.9323 300.1215 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: 3890.65, 0.00391832/step Wall: 3890.65, 0.00391832/step, 1.67269 hours remaining, 113.265625 MB of memory in use. ENERGY: 963200 660.4129 1861.7365 1928.3180 107.3352 0.9236 -1078.3520 0.0000 0.0000 2680.0175 6160.3918 296.0154 3480.3743 6190.5284 298.5770 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: 3891.44, 0.00391798/step Wall: 3891.44, 0.00391798/step, 1.67233 hours remaining, 113.265625 MB of memory in use. ENERGY: 963400 643.1962 1825.0008 1976.3523 106.1951 0.1765 -1088.0163 0.0000 0.0000 2663.5912 6126.4957 294.2011 3462.9045 6156.3806 298.0887 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: 3892.22, 0.00391745/step Wall: 3892.22, 0.00391745/step, 1.67188 hours remaining, 113.265625 MB of memory in use. ENERGY: 963600 667.0529 1823.6043 1947.6011 112.2753 0.0016 -1129.0532 0.0000 0.0000 2679.1824 6100.6644 295.9232 3421.4820 6132.3467 297.7336 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: 3893, 0.00391214/step Wall: 3893, 0.00391214/step, 1.6694 hours remaining, 113.265625 MB of memory in use. ENERGY: 963800 611.0707 1798.7983 1947.4893 111.3391 1.4610 -1094.0298 0.0000 0.0000 2661.0592 6037.1879 293.9214 3376.1287 6072.8286 295.3463 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: 3893.79, 0.00391897/step Wall: 3893.79, 0.00391897/step, 1.67209 hours remaining, 113.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 964000 657.9390 1839.0521 1939.5299 106.3051 1.1573 -1132.3089 0.0000 0.0000 2651.1644 6062.8390 292.8285 3411.6746 6096.7463 292.3321 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: 3894.57, 0.00391873/step Wall: 3894.57, 0.00391873/step, 1.67177 hours remaining, 113.265625 MB of memory in use. ENERGY: 964200 642.1215 1837.8054 1950.9317 106.4470 0.5122 -1109.9839 0.0000 0.0000 2626.7976 6054.6314 290.1371 3427.8338 6087.1075 292.5475 LDB: ============= START OF LOAD BALANCING ============== 3897.27 LDB: ============== END OF LOAD BALANCING =============== 3897.27 LDB: =============== DONE WITH MIGRATION ================ 3897.27 LDB: ============= START OF LOAD BALANCING ============== 3897.66 LDB: ============== END OF LOAD BALANCING =============== 3897.66 LDB: =============== DONE WITH MIGRATION ================ 3897.67 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: 3895.36, 0.00392216/step Wall: 3895.36, 0.00392216/step, 1.67302 hours remaining, 113.265625 MB of memory in use. ENERGY: 964400 675.2213 1822.0777 1938.1327 88.6544 0.8082 -1159.7348 0.0000 0.0000 2667.8200 6032.9795 294.6681 3365.1595 6064.0005 292.8982 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: 3896.14, 0.00391165/step Wall: 3896.14, 0.00391165/step, 1.66832 hours remaining, 113.265625 MB of memory in use. ENERGY: 964600 633.3424 1818.3665 1943.5559 91.9157 0.3217 -1098.0443 0.0000 0.0000 2667.8682 6057.3260 294.6735 3389.4578 6090.8633 292.4501 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: 3896.92, 0.00391935/step Wall: 3896.92, 0.00391935/step, 1.67138 hours remaining, 113.265625 MB of memory in use. ENERGY: 964800 654.0355 1835.3906 1939.2700 112.0209 1.1410 -1136.6367 0.0000 0.0000 2685.7424 6090.9637 296.6477 3405.2213 6126.6886 293.7940 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: 3897.71, 0.00391805/step Wall: 3897.71, 0.00391805/step, 1.67061 hours remaining, 113.265625 MB of memory in use. ENERGY: 965000 658.0302 1855.4182 1951.0404 100.5987 1.8620 -1127.0784 0.0000 0.0000 2677.8792 6117.7503 295.7792 3439.8712 6152.8231 295.3106 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: 3898.49, 0.00392361/step Wall: 3898.49, 0.00392361/step, 1.67277 hours remaining, 113.265625 MB of memory in use. ENERGY: 965200 630.4925 1851.0886 1950.2803 96.8651 2.2810 -1114.8802 0.0000 0.0000 2741.7260 6157.8533 302.8313 3416.1272 6193.3982 297.7873 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: 3899.27, 0.00391923/step Wall: 3899.27, 0.00391923/step, 1.67068 hours remaining, 113.265625 MB of memory in use. ENERGY: 965400 618.3252 1844.6579 1963.2675 105.0848 2.3287 -1107.8834 0.0000 0.0000 2679.2579 6105.0386 295.9315 3425.7807 6138.8465 298.1619 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: 3900.06, 0.00391266/step Wall: 3900.06, 0.00391266/step, 1.66766 hours remaining, 113.265625 MB of memory in use. ENERGY: 965600 667.9473 1838.9043 1986.9230 107.4236 1.7067 -1147.0771 0.0000 0.0000 2724.1953 6180.0230 300.8950 3455.8277 6215.7578 299.0834 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: 3900.84, 0.00393984/step Wall: 3900.84, 0.00393984/step, 1.67903 hours remaining, 113.265625 MB of memory in use. ENERGY: 965800 675.2560 1871.5557 1951.8800 94.3767 1.3527 -1100.3841 0.0000 0.0000 2719.0599 6213.0970 300.3277 3494.0370 6247.5291 301.2912 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: 3901.63, 0.00392114/step Wall: 3901.63, 0.00392114/step, 1.67084 hours remaining, 113.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 966000 641.0576 1832.8015 1970.9286 109.8851 2.9673 -1054.4873 0.0000 0.0000 2691.8284 6194.9812 297.3199 3503.1528 6227.5920 302.5058 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: 3902.41, 0.00392239/step Wall: 3902.41, 0.00392239/step, 1.67116 hours remaining, 113.265625 MB of memory in use. ENERGY: 966200 653.2202 1880.2901 1943.5836 104.9916 2.0850 -1079.3131 0.0000 0.0000 2619.5169 6124.3742 289.3329 3504.8573 6152.5191 298.2482 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: 3903.2, 0.00391914/step Wall: 3903.2, 0.00391914/step, 1.66955 hours remaining, 113.265625 MB of memory in use. ENERGY: 966400 658.5704 1775.4929 1978.8096 108.5853 1.8283 -1114.9539 0.0000 0.0000 2688.1911 6096.5238 296.9182 3408.3327 6130.6378 296.3182 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: 3903.98, 0.00391239/step Wall: 3903.98, 0.00391239/step, 1.66646 hours remaining, 113.265625 MB of memory in use. ENERGY: 966600 667.4382 1779.2195 1935.8909 117.1599 1.4826 -1101.0549 0.0000 0.0000 2670.7958 6070.9321 294.9968 3400.1364 6100.5368 294.7875 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: 3904.76, 0.00392102/step Wall: 3904.76, 0.00392102/step, 1.66992 hours remaining, 113.265625 MB of memory in use. ENERGY: 966800 660.1253 1886.0838 1944.7810 102.4982 3.2265 -1117.8598 0.0000 0.0000 2619.6483 6098.5034 289.3475 3478.8551 6129.0494 296.6104 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: 3905.55, 0.00392056/step Wall: 3905.55, 0.00392056/step, 1.66951 hours remaining, 113.265625 MB of memory in use. ENERGY: 967000 643.5445 1842.9606 1969.9692 108.0703 0.9002 -1113.5467 0.0000 0.0000 2661.0218 6112.9199 293.9173 3451.8981 6143.6921 297.9680 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: 3906.33, 0.00392212/step Wall: 3906.33, 0.00392212/step, 1.66995 hours remaining, 113.265625 MB of memory in use. ENERGY: 967200 645.3035 1819.6650 1957.8891 117.7479 1.8193 -1118.9914 0.0000 0.0000 2680.0467 6103.4801 296.0186 3423.4334 6136.4175 296.4844 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: 3907.12, 0.00393119/step Wall: 3907.12, 0.00393119/step, 1.67359 hours remaining, 113.265625 MB of memory in use. ENERGY: 967400 650.6725 1814.0422 1970.0853 112.6767 2.3844 -1120.1224 0.0000 0.0000 2668.8599 6098.5987 294.7830 3429.7388 6130.8562 295.7045 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: 3907.9, 0.00392296/step Wall: 3907.9, 0.00392296/step, 1.66988 hours remaining, 113.265625 MB of memory in use. ENERGY: 967600 641.4879 1824.6419 1947.4085 108.7386 1.0503 -1126.8185 0.0000 0.0000 2695.7918 6092.3004 297.7577 3396.5086 6126.9695 295.4375 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: 3908.69, 0.00392292/step Wall: 3908.69, 0.00392292/step, 1.66964 hours remaining, 113.265625 MB of memory in use. ENERGY: 967800 646.0977 1833.6304 1945.3541 109.6890 1.7919 -1081.1957 0.0000 0.0000 2711.7501 6167.1176 299.5204 3455.3674 6200.8456 297.0213 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: 3909.47, 0.00391912/step Wall: 3909.47, 0.00391912/step, 1.6678 hours remaining, 113.265625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 968000 673.4387 1835.8973 1976.0121 107.0883 2.3319 -1078.5763 0.0000 0.0000 2663.1589 6179.3509 294.1533 3516.1921 6211.4515 298.6215 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: 3910.26, 0.00391777/step Wall: 3910.26, 0.00391777/step, 1.66701 hours remaining, 113.265625 MB of memory in use. ENERGY: 968200 661.6384 1843.7445 1948.4613 109.3552 1.3725 -1130.7459 0.0000 0.0000 2742.7890 6176.6149 302.9487 3433.8259 6209.5197 300.2343 LDB: ============= START OF LOAD BALANCING ============== 3912.96 LDB: ============== END OF LOAD BALANCING =============== 3912.96 LDB: =============== DONE WITH MIGRATION ================ 3912.96 LDB: ============= START OF LOAD BALANCING ============== 3913.35 LDB: ============== END OF LOAD BALANCING =============== 3913.35 LDB: =============== DONE WITH MIGRATION ================ 3913.35 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: 3911.04, 0.0039171/step Wall: 3911.04, 0.0039171/step, 1.66651 hours remaining, 113.265625 MB of memory in use. ENERGY: 968400 672.5489 1812.5948 1979.6899 102.6187 0.5426 -1122.9402 0.0000 0.0000 2790.1008 6235.1556 308.1744 3445.0547 6267.5542 301.5377 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: 3911.82, 0.00391644/step Wall: 3911.82, 0.00391644/step, 1.66601 hours remaining, 113.265625 MB of memory in use. ENERGY: 968600 664.5214 1825.8991 1960.7233 111.8786 2.9691 -1110.6656 0.0000 0.0000 2736.1485 6191.4744 302.2152 3455.3259 6226.4832 301.8543 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: 3912.61, 0.00391701/step Wall: 3912.61, 0.00391701/step, 1.66603 hours remaining, 113.265625 MB of memory in use. ENERGY: 968800 651.6630 1835.0928 1946.5840 102.8259 1.7463 -1110.7491 0.0000 0.0000 2726.1410 6153.3039 301.1099 3427.1629 6187.0875 298.0788 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: 3913.39, 0.00391658/step Wall: 3913.39, 0.00391658/step, 1.66563 hours remaining, 113.265625 MB of memory in use. ENERGY: 969000 627.1217 1745.6450 1965.5742 114.7863 1.7157 -1074.6239 0.0000 0.0000 2697.5604 6077.7794 297.9531 3380.2190 6115.8529 295.8709 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: 3914.17, 0.00390648/step Wall: 3914.17, 0.00390648/step, 1.66112 hours remaining, 113.265625 MB of memory in use. ENERGY: 969200 662.5901 1822.0962 1953.4670 116.1999 0.9612 -1106.3591 0.0000 0.0000 2696.9899 6145.9452 297.8900 3448.9553 6179.1673 295.6620 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: 3914.95, 0.00391382/step Wall: 3914.95, 0.00391382/step, 1.66403 hours remaining, 113.265625 MB of memory in use. ENERGY: 969400 644.0384 1782.5891 1976.2646 113.6888 2.2497 -1111.4488 0.0000 0.0000 2726.3604 6133.7422 301.1341 3407.3818 6169.9772 296.5309 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: 3915.74, 0.00391546/step Wall: 3915.74, 0.00391546/step, 1.6645 hours remaining, 113.265625 MB of memory in use. ENERGY: 969600 637.4927 1805.3104 1952.3909 120.9064 1.8055 -1118.0667 0.0000 0.0000 2765.8410 6165.6803 305.4948 3399.8394 6200.4602 300.4256 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: 3916.52, 0.00391897/step Wall: 3916.52, 0.00391897/step, 1.66578 hours remaining, 113.265625 MB of memory in use. ENERGY: 969800 629.2231 1860.5152 1951.0704 105.5194 2.7542 -1109.2243 0.0000 0.0000 2726.0659 6165.9239 301.1016 3439.8579 6200.4379 298.8211 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: 3917.31, 0.00392662/step Wall: 3917.31, 0.00392662/step, 1.66881 hours remaining, 113.406250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 970000 658.2076 1875.3860 1976.2891 113.1174 1.8665 -1089.2860 0.0000 0.0000 2720.1248 6255.7054 300.4454 3535.5806 6287.8055 302.4495 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 970000 WRITING COORDINATES TO DCD FILE MD.1.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: 3918.13, 0.00411996/step Wall: 3918.13, 0.00411996/step, 1.75076 hours remaining, 113.410156 MB of memory in use. ENERGY: 970200 658.4134 1861.8396 1968.2245 113.9163 3.0740 -1073.0884 0.0000 0.0000 2789.9593 6322.3386 308.1588 3532.3793 6356.1758 304.8473 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: 3918.91, 0.00391744/step Wall: 3918.91, 0.00391744/step, 1.66447 hours remaining, 113.410156 MB of memory in use. ENERGY: 970400 626.8393 1885.2005 1958.4054 107.3266 3.0805 -1073.3560 0.0000 0.0000 2773.4965 6280.9928 306.3404 3507.4964 6315.4742 306.6575 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: 3919.7, 0.00391588/step Wall: 3919.7, 0.00391588/step, 1.6636 hours remaining, 113.410156 MB of memory in use. ENERGY: 970600 662.4990 1863.8042 1960.5187 111.4484 3.0733 -1105.6679 0.0000 0.0000 2757.0700 6252.7457 304.5261 3495.6757 6283.8308 303.5019 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: 3920.48, 0.00391621/step Wall: 3920.48, 0.00391621/step, 1.66352 hours remaining, 113.410156 MB of memory in use. ENERGY: 970800 633.5243 1870.4979 1959.9156 117.1194 3.6949 -1094.9616 0.0000 0.0000 2688.3011 6178.0916 296.9303 3489.7905 6209.7358 302.1094 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: 3921.26, 0.00391529/step Wall: 3921.26, 0.00391529/step, 1.66291 hours remaining, 113.410156 MB of memory in use. ENERGY: 971000 684.0820 1812.4776 1929.3101 107.9747 3.8722 -1105.4664 0.0000 0.0000 2747.6445 6179.8946 303.4850 3432.2501 6213.7556 302.3250 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: 3922.04, 0.00391016/step Wall: 3922.04, 0.00391016/step, 1.66052 hours remaining, 113.410156 MB of memory in use. ENERGY: 971200 658.9919 1828.5066 1973.0518 105.4023 2.5371 -1120.6398 0.0000 0.0000 2710.0200 6157.8699 299.3293 3447.8499 6188.2517 299.3287 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: 3922.83, 0.00391551/step Wall: 3922.83, 0.00391551/step, 1.66257 hours remaining, 113.410156 MB of memory in use. ENERGY: 971400 698.4956 1838.6865 1946.8274 94.8719 1.7684 -1120.9209 0.0000 0.0000 2687.3436 6147.0725 296.8246 3459.7289 6178.1815 298.9940 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: 3923.61, 0.00391494/step Wall: 3923.61, 0.00391494/step, 1.66211 hours remaining, 113.410156 MB of memory in use. ENERGY: 971600 663.1842 1847.7479 1951.9707 108.2539 2.3185 -1133.8849 0.0000 0.0000 2726.3301 6165.9205 301.1308 3439.5904 6200.4916 299.2711 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: 3924.39, 0.00391428/step Wall: 3924.39, 0.00391428/step, 1.66161 hours remaining, 113.410156 MB of memory in use. ENERGY: 971800 700.0159 1855.3314 1957.6002 111.5965 1.6855 -1110.2376 0.0000 0.0000 2709.5557 6225.5478 299.2780 3515.9921 6257.6726 299.3028 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: 3925.17, 0.00390784/step Wall: 3925.17, 0.00390785/step, 1.65866 hours remaining, 113.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 972000 684.0782 1842.8311 1938.1473 109.0719 0.9758 -1116.7105 0.0000 0.0000 2717.9144 6176.3083 300.2012 3458.3939 6211.4112 299.5388 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: 3925.96, 0.00391346/step Wall: 3925.96, 0.00391346/step, 1.66083 hours remaining, 113.410156 MB of memory in use. ENERGY: 972200 658.6527 1838.3520 1962.1933 105.0086 1.0169 -1112.9300 0.0000 0.0000 2723.2256 6175.5191 300.7879 3452.2935 6211.5806 299.9114 LDB: ============= START OF LOAD BALANCING ============== 3928.66 LDB: ============== END OF LOAD BALANCING =============== 3928.66 LDB: =============== DONE WITH MIGRATION ================ 3928.66 LDB: ============= START OF LOAD BALANCING ============== 3929.05 LDB: ============== END OF LOAD BALANCING =============== 3929.05 LDB: =============== DONE WITH MIGRATION ================ 3929.05 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: 3926.74, 0.0039204/step Wall: 3926.74, 0.0039204/step, 1.66356 hours remaining, 113.410156 MB of memory in use. ENERGY: 972400 673.2088 1819.1192 1948.1261 106.2185 2.1796 -1074.6068 0.0000 0.0000 2709.3302 6183.5756 299.2531 3474.2454 6215.4809 299.8426 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: 3927.52, 0.00391498/step Wall: 3927.52, 0.00391498/step, 1.66104 hours remaining, 113.410156 MB of memory in use. ENERGY: 972600 649.1864 1796.3296 1984.4810 101.5373 2.0227 -1093.4908 0.0000 0.0000 2724.1831 6164.2492 300.8936 3440.0661 6200.3492 299.2192 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: 3928.31, 0.00391482/step Wall: 3928.31, 0.00391482/step, 1.66075 hours remaining, 113.410156 MB of memory in use. ENERGY: 972800 618.3649 1854.6374 1960.7852 112.9904 1.3992 -1093.8998 0.0000 0.0000 2719.5301 6173.8074 300.3797 3454.2773 6205.5252 299.7139 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: 3929.09, 0.00390809/step Wall: 3929.09, 0.00390809/step, 1.65768 hours remaining, 113.410156 MB of memory in use. ENERGY: 973000 624.3070 1818.6540 1969.6718 111.6063 1.0764 -1100.8216 0.0000 0.0000 2673.1749 6097.6688 295.2596 3424.4939 6131.6842 297.7205 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: 3929.87, 0.00391483/step Wall: 3929.87, 0.00391483/step, 1.66032 hours remaining, 113.410156 MB of memory in use. ENERGY: 973200 671.8202 1870.4121 1938.1292 101.2705 1.3342 -1167.0016 0.0000 0.0000 2720.6809 6136.6455 300.5068 3415.9646 6169.3053 297.7781 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: 3930.65, 0.00391416/step Wall: 3930.65, 0.00391416/step, 1.65982 hours remaining, 113.410156 MB of memory in use. ENERGY: 973400 623.0764 1843.5595 1975.1832 107.1163 2.5314 -1121.7721 0.0000 0.0000 2649.4739 6079.1685 292.6418 3429.6947 6111.6247 296.0170 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: 3931.44, 0.00391294/step Wall: 3931.44, 0.00391294/step, 1.65909 hours remaining, 113.410156 MB of memory in use. ENERGY: 973600 669.5277 1795.9086 1967.4010 99.4497 2.3455 -1132.4372 0.0000 0.0000 2708.0657 6110.2611 299.1134 3402.1954 6143.0523 295.2993 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: 3932.22, 0.00390854/step Wall: 3932.22, 0.00390854/step, 1.657 hours remaining, 113.410156 MB of memory in use. ENERGY: 973800 653.6659 1796.9743 1937.0667 103.5769 2.5627 -1099.2949 0.0000 0.0000 2724.3649 6118.9165 300.9137 3394.5516 6151.8045 296.2185 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: 3933, 0.00391271/step Wall: 3933, 0.00391271/step, 1.65855 hours remaining, 113.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 974000 681.9669 1820.7880 1943.6423 110.0889 2.8888 -1109.6777 0.0000 0.0000 2727.3610 6177.0582 301.2446 3449.6972 6210.8994 297.6581 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: 3933.78, 0.00391316/step Wall: 3933.78, 0.00391316/step, 1.65853 hours remaining, 113.410156 MB of memory in use. ENERGY: 974200 674.8934 1842.2895 1971.0165 93.4630 2.2837 -1089.6459 0.0000 0.0000 2679.6416 6173.9419 295.9739 3494.3003 6203.9955 298.1233 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: 3934.57, 0.0039151/step Wall: 3934.57, 0.0039151/step, 1.65913 hours remaining, 113.410156 MB of memory in use. ENERGY: 974400 685.8612 1846.7191 1946.9382 102.7931 2.9563 -1080.0779 0.0000 0.0000 2691.5607 6196.7506 297.2904 3505.1899 6228.4590 298.7871 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: 3935.35, 0.00391597/step Wall: 3935.35, 0.00391597/step, 1.65928 hours remaining, 113.410156 MB of memory in use. ENERGY: 974600 666.0270 1823.0117 1933.5486 105.2589 1.5088 -1101.9072 0.0000 0.0000 2740.6198 6168.0677 302.7091 3427.4479 6202.8648 299.7860 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: 3936.13, 0.00391101/step Wall: 3936.13, 0.00391101/step, 1.65696 hours remaining, 113.410156 MB of memory in use. ENERGY: 974800 656.7533 1799.9080 1955.4339 105.3040 2.3087 -1078.7519 0.0000 0.0000 2709.0980 6150.0539 299.2274 3440.9560 6181.1252 298.5543 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: 3936.92, 0.00391927/step Wall: 3936.92, 0.00391927/step, 1.66025 hours remaining, 113.410156 MB of memory in use. ENERGY: 975000 615.1579 1886.8884 1929.6117 106.5002 1.6179 -1074.3745 0.0000 0.0000 2656.8204 6122.2220 293.4532 3465.4016 6154.8129 297.0783 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: 3937.7, 0.00391657/step Wall: 3937.7, 0.00391658/step, 1.65889 hours remaining, 113.410156 MB of memory in use. ENERGY: 975200 636.2678 1871.1040 1935.5070 101.9580 1.3600 -1084.3720 0.0000 0.0000 2700.2016 6162.0264 298.2448 3461.8248 6194.8452 297.1323 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: 3938.48, 0.00391793/step Wall: 3938.48, 0.00391793/step, 1.65924 hours remaining, 113.410156 MB of memory in use. ENERGY: 975400 673.2546 1795.4434 1993.8436 107.1064 2.6670 -1112.1881 0.0000 0.0000 2708.2964 6168.4234 299.1389 3460.1269 6200.6742 297.6547 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: 3939.27, 0.00391567/step Wall: 3939.27, 0.00391567/step, 1.65807 hours remaining, 113.410156 MB of memory in use. ENERGY: 975600 690.4852 1843.2163 1956.7304 107.6003 1.5077 -1127.7116 0.0000 0.0000 2680.4126 6152.2410 296.0590 3471.8284 6184.9557 298.0324 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: 3940.05, 0.00391126/step Wall: 3940.05, 0.00391126/step, 1.65598 hours remaining, 113.410156 MB of memory in use. ENERGY: 975800 632.0539 1883.8820 1953.2440 117.4439 2.4955 -1088.7058 0.0000 0.0000 2635.7886 6136.2021 291.1302 3500.4135 6166.0132 297.0707 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: 3940.83, 0.00391629/step Wall: 3940.83, 0.00391629/step, 1.6579 hours remaining, 113.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 976000 648.1450 1809.7713 1946.9470 110.1163 2.2182 -1128.8949 0.0000 0.0000 2697.5823 6085.8852 297.9555 3388.3029 6118.3415 296.6899 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: 3941.62, 0.00391541/step Wall: 3941.62, 0.00391541/step, 1.6573 hours remaining, 113.410156 MB of memory in use. ENERGY: 976200 636.8003 1819.9533 1932.0642 108.1868 3.2588 -1122.6960 0.0000 0.0000 2724.2550 6101.8224 300.9016 3377.5674 6138.1062 294.3962 LDB: ============= START OF LOAD BALANCING ============== 3944.32 LDB: ============== END OF LOAD BALANCING =============== 3944.32 LDB: =============== DONE WITH MIGRATION ================ 3944.32 LDB: ============= START OF LOAD BALANCING ============== 3944.71 LDB: ============== END OF LOAD BALANCING =============== 3944.71 LDB: =============== DONE WITH MIGRATION ================ 3944.71 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: 3942.4, 0.00392277/step Wall: 3942.4, 0.00392277/step, 1.66021 hours remaining, 113.410156 MB of memory in use. ENERGY: 976400 643.5173 1821.5167 1953.3102 107.4601 1.6676 -1098.3032 0.0000 0.0000 2690.5228 6119.6916 297.1757 3429.1688 6151.8793 296.7674 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: 3943.18, 0.00391086/step Wall: 3943.18, 0.00391086/step, 1.65495 hours remaining, 113.410156 MB of memory in use. ENERGY: 976600 625.6001 1856.2968 1935.9301 117.9650 1.7875 -1075.9333 0.0000 0.0000 2720.1301 6181.7763 300.4459 3461.6462 6212.2033 300.1938 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: 3943.96, 0.00391492/step Wall: 3943.96, 0.00391492/step, 1.65644 hours remaining, 113.410156 MB of memory in use. ENERGY: 976800 619.4667 1851.7411 1957.8733 102.0050 2.0788 -1080.5349 0.0000 0.0000 2731.2736 6183.9035 301.6768 3452.6299 6216.9406 301.7916 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: 3944.75, 0.00391632/step Wall: 3944.75, 0.00391631/step, 1.65682 hours remaining, 113.410156 MB of memory in use. ENERGY: 977000 673.4405 1817.3281 1970.8347 108.2590 3.0872 -1133.2466 0.0000 0.0000 2744.1663 6183.8692 303.1008 3439.7029 6216.3610 302.3273 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: 3945.53, 0.00391453/step Wall: 3945.53, 0.00391453/step, 1.65585 hours remaining, 113.410156 MB of memory in use. ENERGY: 977200 660.3870 1809.9536 1941.4030 107.9023 1.8860 -1070.1804 0.0000 0.0000 2681.7193 6133.0708 296.2034 3451.3515 6166.2460 299.3521 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: 3946.31, 0.00391433/step Wall: 3946.31, 0.00391433/step, 1.65555 hours remaining, 113.410156 MB of memory in use. ENERGY: 977400 651.7234 1863.2255 1924.9186 111.1235 1.3278 -1111.6015 0.0000 0.0000 2686.8531 6127.5704 296.7704 3440.7173 6161.0021 298.1858 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: 3947.1, 0.00390933/step Wall: 3947.1, 0.00390933/step, 1.65321 hours remaining, 113.410156 MB of memory in use. ENERGY: 977600 672.5134 1825.2634 1964.4413 116.9438 2.2206 -1133.7342 0.0000 0.0000 2661.3083 6108.9566 293.9489 3447.6483 6139.5645 298.1664 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: 3947.88, 0.00391557/step Wall: 3947.88, 0.00391557/step, 1.65564 hours remaining, 113.410156 MB of memory in use. ENERGY: 977800 647.5547 1819.9350 1934.1463 107.9037 0.3686 -1122.4939 0.0000 0.0000 2678.7361 6066.1505 295.8739 3387.4144 6099.9885 296.0787 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: 3948.66, 0.0039187/step Wall: 3948.66, 0.0039187/step, 1.65674 hours remaining, 113.410156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 978000 647.4479 1811.1516 1946.2107 106.4163 1.5245 -1105.6099 0.0000 0.0000 2677.4844 6084.6255 295.7356 3407.1411 6118.1873 294.9393 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: 3949.45, 0.00391623/step Wall: 3949.45, 0.00391623/step, 1.65548 hours remaining, 113.410156 MB of memory in use. ENERGY: 978200 669.5172 1831.8012 1934.8171 98.0437 1.2153 -1081.1935 0.0000 0.0000 2651.6064 6105.8073 292.8773 3454.2009 6138.9120 294.3213 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: 3950.23, 0.00390835/step Wall: 3950.23, 0.00390835/step, 1.65193 hours remaining, 113.410156 MB of memory in use. ENERGY: 978400 637.0944 1879.1796 1956.1887 108.2652 1.4048 -1075.0803 0.0000 0.0000 2633.3641 6140.4165 290.8624 3507.0524 6172.6179 297.0451 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: 3951.01, 0.00391698/step Wall: 3951.01, 0.00391698/step, 1.65536 hours remaining, 113.410156 MB of memory in use. ENERGY: 978600 661.2112 1819.3676 1985.3420 105.6277 1.5241 -1108.5599 0.0000 0.0000 2692.1659 6156.6787 297.3572 3464.5128 6189.5596 297.6977 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: 3951.79, 0.00391438/step Wall: 3951.79, 0.00391438/step, 1.65404 hours remaining, 113.410156 MB of memory in use. ENERGY: 978800 651.4390 1847.0161 1939.4418 99.2574 3.3424 -1104.2600 0.0000 0.0000 2717.5629 6153.7995 300.1624 3436.2366 6186.3253 298.5784 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: 3952.58, 0.00391644/step Wall: 3952.58, 0.00391644/step, 1.6547 hours remaining, 113.410156 MB of memory in use. ENERGY: 979000 638.6353 1850.8084 1920.2880 102.3508 2.7326 -1092.4970 0.0000 0.0000 2676.1820 6098.5000 295.5918 3422.3181 6131.6356 296.3454 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: 3953.36, 0.00391445/step Wall: 3953.36, 0.00391445/step, 1.65364 hours remaining, 113.410156 MB of memory in use. ENERGY: 979200 636.0555 1846.6575 1966.2665 112.2489 2.3716 -1090.2099 0.0000 0.0000 2655.1123 6128.5025 293.2646 3473.3902 6158.3151 294.7233 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: 3954.14, 0.00390825/step Wall: 3954.14, 0.00390825/step, 1.6508 hours remaining, 113.410156 MB of memory in use. ENERGY: 979400 643.6144 1836.6549 1907.4362 108.6455 2.9331 -1098.5565 0.0000 0.0000 2695.8896 6096.6172 297.7685 3400.7276 6128.5357 295.9548 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: 3954.93, 0.00391748/step Wall: 3954.93, 0.00391748/step, 1.65448 hours remaining, 113.410156 MB of memory in use. ENERGY: 979600 654.2438 1832.3573 1918.3704 110.7536 1.4034 -1093.0212 0.0000 0.0000 2658.0511 6082.1583 293.5891 3424.1073 6112.6149 294.9335 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: 3955.71, 0.00391593/step Wall: 3955.71, 0.00391593/step, 1.65361 hours remaining, 113.410156 MB of memory in use. ENERGY: 979800 670.4189 1822.6362 1932.7308 111.8716 3.5502 -1119.4283 0.0000 0.0000 2640.1695 6061.9488 291.6141 3421.7793 6094.6146 296.0801 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: 3956.49, 0.00391691/step Wall: 3956.49, 0.00391691/step, 1.65381 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 980000 633.0620 1737.8751 1960.5643 109.2056 2.8923 -1089.6309 0.0000 0.0000 2704.2086 6058.1771 298.6874 3353.9685 6092.3766 291.4250 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 980000 WRITING COORDINATES TO DCD FILE MD.1.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: 3957.31, 0.0041146/step Wall: 3957.31, 0.0041146/step, 1.73705 hours remaining, 113.546875 MB of memory in use. ENERGY: 980200 625.1022 1767.8159 1943.1891 108.3430 3.1664 -1050.1272 0.0000 0.0000 2690.8428 6088.3323 297.2111 3397.4895 6124.0900 294.3399 LDB: ============= START OF LOAD BALANCING ============== 3960.01 LDB: ============== END OF LOAD BALANCING =============== 3960.01 LDB: =============== DONE WITH MIGRATION ================ 3960.01 LDB: ============= START OF LOAD BALANCING ============== 3960.41 LDB: ============== END OF LOAD BALANCING =============== 3960.41 LDB: =============== DONE WITH MIGRATION ================ 3960.41 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: 3958.1, 0.00391547/step Wall: 3958.1, 0.00391547/step, 1.65277 hours remaining, 113.546875 MB of memory in use. ENERGY: 980400 628.5824 1826.7207 1941.2840 101.7552 1.9957 -1106.2655 0.0000 0.0000 2671.5377 6065.6102 295.0788 3394.0726 6096.6218 294.3610 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: 3958.88, 0.00391635/step Wall: 3958.88, 0.00391635/step, 1.65292 hours remaining, 113.546875 MB of memory in use. ENERGY: 980600 649.0134 1787.7824 1936.5159 113.7258 1.7661 -1117.0516 0.0000 0.0000 2692.5906 6064.3426 297.4041 3371.7520 6094.6137 294.3926 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: 3959.66, 0.00391459/step Wall: 3959.66, 0.00391459/step, 1.65196 hours remaining, 113.546875 MB of memory in use. ENERGY: 980800 653.3905 1843.9020 1936.3424 117.0204 1.5141 -1100.0388 0.0000 0.0000 2639.8172 6091.9479 291.5752 3452.1306 6122.2505 293.9572 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: 3960.45, 0.00391611/step Wall: 3960.45, 0.00391611/step, 1.65238 hours remaining, 113.546875 MB of memory in use. ENERGY: 981000 669.7408 1877.5580 1933.5815 105.9828 1.9260 -1135.9973 0.0000 0.0000 2683.4488 6136.2406 296.3944 3452.7918 6167.9906 297.6422 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: 3961.23, 0.00390792/step Wall: 3961.23, 0.00390792/step, 1.64871 hours remaining, 113.546875 MB of memory in use. ENERGY: 981200 632.0842 1877.9148 1973.6050 115.6205 3.1194 -1137.7293 0.0000 0.0000 2679.9540 6144.5685 296.0084 3464.6145 6178.4108 299.3059 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: 3962.01, 0.00391333/step Wall: 3962.01, 0.00391333/step, 1.65077 hours remaining, 113.546875 MB of memory in use. ENERGY: 981400 676.3352 1791.1488 1913.1621 114.3670 1.5778 -1058.6020 0.0000 0.0000 2672.3983 6110.3873 295.1738 3437.9890 6143.5964 299.1918 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: 3962.79, 0.0039147/step Wall: 3962.79, 0.0039147/step, 1.65113 hours remaining, 113.546875 MB of memory in use. ENERGY: 981600 656.5843 1822.0170 1923.7495 105.8294 2.2501 -1058.3164 0.0000 0.0000 2671.5908 6123.7047 295.0846 3452.1139 6155.8836 295.4025 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: 3963.58, 0.00391371/step Wall: 3963.58, 0.00391371/step, 1.6505 hours remaining, 113.546875 MB of memory in use. ENERGY: 981800 655.9141 1831.0192 1942.8345 112.5157 1.5582 -1071.2157 0.0000 0.0000 2667.6586 6140.2846 294.6503 3472.6260 6170.9119 295.5525 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: 3964.36, 0.003914/step Wall: 3964.36, 0.003914/step, 1.6504 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 982000 662.1184 1816.0760 1937.9622 112.1916 1.4869 -1087.2039 0.0000 0.0000 2714.0621 6156.6934 299.7757 3442.6313 6188.2831 296.3697 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: 3965.14, 0.00390698/step Wall: 3965.14, 0.00390698/step, 1.64723 hours remaining, 113.546875 MB of memory in use. ENERGY: 982200 643.2083 1857.7392 1961.1888 103.8432 1.0936 -1140.9382 0.0000 0.0000 2696.4584 6122.5934 297.8313 3426.1350 6156.2700 297.6917 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: 3965.92, 0.00391331/step Wall: 3965.92, 0.00391331/step, 1.64968 hours remaining, 113.546875 MB of memory in use. ENERGY: 982400 654.3894 1790.1188 1965.5415 116.0153 2.5133 -1087.8666 0.0000 0.0000 2693.0842 6133.7958 297.4586 3440.7117 6168.1988 297.1346 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: 3966.71, 0.00392554/step Wall: 3966.71, 0.00392554/step, 1.65462 hours remaining, 113.546875 MB of memory in use. ENERGY: 982600 649.0760 1872.9282 1936.1997 111.1088 0.8624 -1120.0258 0.0000 0.0000 2700.7070 6150.8564 298.3006 3450.1494 6184.0603 299.0448 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: 3967.49, 0.0039179/step Wall: 3967.49, 0.0039179/step, 1.65118 hours remaining, 113.546875 MB of memory in use. ENERGY: 982800 627.4013 1826.9971 1951.9869 113.6339 2.4071 -1077.8370 0.0000 0.0000 2724.8321 6169.4213 300.9653 3444.5892 6203.9383 298.1656 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: 3968.27, 0.00391088/step Wall: 3968.27, 0.00391088/step, 1.648 hours remaining, 113.546875 MB of memory in use. ENERGY: 983000 655.2015 1833.0882 1938.4610 104.4232 3.5773 -1102.9329 0.0000 0.0000 2727.0922 6158.9104 301.2149 3431.8182 6193.9207 299.8500 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: 3969.06, 0.00391544/step Wall: 3969.06, 0.00391544/step, 1.6497 hours remaining, 113.546875 MB of memory in use. ENERGY: 983200 655.5067 1792.4730 1958.2952 113.3057 2.8205 -1071.1267 0.0000 0.0000 2712.2523 6163.5267 299.5758 3451.2744 6196.8399 298.2391 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: 3969.84, 0.00391476/step Wall: 3969.84, 0.00391476/step, 1.6492 hours remaining, 113.546875 MB of memory in use. ENERGY: 983400 622.5850 1868.0672 1952.4501 116.6122 2.6293 -1100.4403 0.0000 0.0000 2706.1030 6168.0064 298.8966 3461.9034 6202.3984 298.1786 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: 3970.62, 0.00391658/step Wall: 3970.62, 0.00391658/step, 1.64975 hours remaining, 113.546875 MB of memory in use. ENERGY: 983600 658.9828 1824.1979 1946.6284 113.2192 2.5689 -1070.4948 0.0000 0.0000 2708.6151 6183.7173 299.1741 3475.1023 6219.2242 299.2360 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: 3971.41, 0.00391582/step Wall: 3971.41, 0.00391582/step, 1.64921 hours remaining, 113.546875 MB of memory in use. ENERGY: 983800 689.4876 1853.3026 1947.9638 108.6049 2.2255 -1106.1062 0.0000 0.0000 2715.4586 6210.9369 299.9300 3495.4783 6241.0870 301.0048 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: 3972.19, 0.0039085/step Wall: 3972.19, 0.0039085/step, 1.64591 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 984000 669.0259 1841.3984 1958.3113 127.1236 2.6336 -1087.3817 0.0000 0.0000 2651.6961 6162.8073 292.8872 3511.1111 6197.7964 299.6802 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: 3972.97, 0.00391757/step Wall: 3972.97, 0.00391757/step, 1.64951 hours remaining, 113.546875 MB of memory in use. ENERGY: 984200 684.6193 1852.6186 1921.4672 109.8635 2.3193 -1082.3683 0.0000 0.0000 2630.9686 6119.4882 290.5978 3488.5196 6148.0424 297.0870 LDB: ============= START OF LOAD BALANCING ============== 3975.67 LDB: ============== END OF LOAD BALANCING =============== 3975.67 LDB: =============== DONE WITH MIGRATION ================ 3975.67 LDB: ============= START OF LOAD BALANCING ============== 3976.07 LDB: ============== END OF LOAD BALANCING =============== 3976.07 LDB: =============== DONE WITH MIGRATION ================ 3976.07 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: 3973.76, 0.00391952/step Wall: 3973.76, 0.00391952/step, 1.65012 hours remaining, 113.546875 MB of memory in use. ENERGY: 984400 687.5417 1809.7851 1950.7113 93.9778 1.1953 -1148.3772 0.0000 0.0000 2711.9466 6106.7806 299.5421 3394.8340 6139.8901 298.4182 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: 3974.54, 0.00391426/step Wall: 3974.54, 0.00391426/step, 1.64769 hours remaining, 113.546875 MB of memory in use. ENERGY: 984600 636.4174 1812.0987 1937.5913 117.8759 0.7468 -1092.3127 0.0000 0.0000 2718.0610 6130.4784 300.2174 3412.4174 6166.8428 297.6496 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: 3975.32, 0.00390874/step Wall: 3975.32, 0.00390874/step, 1.64514 hours remaining, 113.546875 MB of memory in use. ENERGY: 984800 648.1999 1864.4995 1957.5370 118.2767 0.7049 -1123.3252 0.0000 0.0000 2659.7356 6125.6283 293.7752 3465.8927 6156.1909 294.1221 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: 3976.1, 0.00391416/step Wall: 3976.1, 0.00391416/step, 1.64721 hours remaining, 113.546875 MB of memory in use. ENERGY: 985000 629.2949 1863.4627 1952.2264 110.2113 1.2237 -1111.3998 0.0000 0.0000 2733.4299 6178.4490 301.9150 3445.0191 6214.0692 297.5702 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: 3976.89, 0.00391438/step Wall: 3976.89, 0.00391438/step, 1.64708 hours remaining, 113.546875 MB of memory in use. ENERGY: 985200 661.1225 1846.6857 1974.4693 98.6478 1.4449 -1085.8800 0.0000 0.0000 2719.7691 6216.2594 300.4061 3496.4903 6248.8942 300.5558 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: 3977.67, 0.00391479/step Wall: 3977.67, 0.00391479/step, 1.64704 hours remaining, 113.546875 MB of memory in use. ENERGY: 985400 641.7316 1905.5125 1961.0298 96.6622 0.9642 -1100.4541 0.0000 0.0000 2741.1649 6246.6111 302.7693 3505.4462 6279.6188 303.7168 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: 3978.45, 0.00391481/step Wall: 3978.45, 0.00391481/step, 1.64683 hours remaining, 113.546875 MB of memory in use. ENERGY: 985600 684.3800 1837.8709 1975.8206 100.4028 2.2205 -1087.0057 0.0000 0.0000 2718.8438 6232.5329 300.3039 3513.6891 6268.8997 302.9508 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: 3979.23, 0.00390554/step Wall: 3979.23, 0.00390554/step, 1.64271 hours remaining, 113.546875 MB of memory in use. ENERGY: 985800 648.8008 1874.3586 1950.0958 107.3154 1.9266 -1095.5642 0.0000 0.0000 2733.5455 6220.4784 301.9277 3486.9329 6252.1912 300.9100 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: 3980.02, 0.00391315/step Wall: 3980.02, 0.00391315/step, 1.6457 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 986000 639.9199 1890.3385 1969.3565 96.2305 0.8105 -1094.2216 0.0000 0.0000 2670.3053 6172.7395 294.9427 3502.4342 6205.5293 300.0844 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: 3980.8, 0.0039135/step Wall: 3980.8, 0.0039135/step, 1.64563 hours remaining, 113.546875 MB of memory in use. ENERGY: 986200 642.6012 1873.3567 1982.9683 106.2910 -0.4215 -1123.5096 0.0000 0.0000 2704.7378 6186.0239 298.7458 3481.2861 6219.6026 299.2683 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: 3981.58, 0.00391394/step Wall: 3981.58, 0.00391393/step, 1.64559 hours remaining, 113.546875 MB of memory in use. ENERGY: 986400 676.8694 1873.3318 1943.9763 106.8152 1.8370 -1098.5363 0.0000 0.0000 2767.0827 6271.3762 305.6320 3504.2935 6306.0847 302.6941 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: 3982.36, 0.00391487/step Wall: 3982.36, 0.00391487/step, 1.64577 hours remaining, 113.546875 MB of memory in use. ENERGY: 986600 684.6506 1864.3404 1952.6925 125.7616 0.6344 -1071.2204 0.0000 0.0000 2719.6271 6276.4863 300.3904 3556.8592 6306.7526 304.6648 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: 3983.15, 0.00390704/step Wall: 3983.15, 0.00390704/step, 1.64226 hours remaining, 113.546875 MB of memory in use. ENERGY: 986800 663.3035 1872.1938 1921.4720 106.3912 1.0240 -1081.2950 0.0000 0.0000 2696.1730 6179.2624 297.7998 3483.0894 6213.7604 302.3113 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: 3983.93, 0.00391446/step Wall: 3983.93, 0.00391446/step, 1.64516 hours remaining, 113.546875 MB of memory in use. ENERGY: 987000 613.1600 1823.4095 1928.4536 109.0058 1.8210 -1065.3795 0.0000 0.0000 2708.1322 6118.6026 299.1207 3410.4704 6152.7357 297.8463 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: 3984.71, 0.00391518/step Wall: 3984.71, 0.00391518/step, 1.64525 hours remaining, 113.546875 MB of memory in use. ENERGY: 987200 608.9326 1855.5428 1917.5585 118.8372 1.2571 -1108.6200 0.0000 0.0000 2706.4426 6099.9508 298.9341 3393.5082 6133.9935 294.7560 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: 3985.5, 0.00391586/step Wall: 3985.5, 0.00391586/step, 1.64531 hours remaining, 113.546875 MB of memory in use. ENERGY: 987400 665.2580 1853.8667 1964.3195 109.4300 2.6275 -1125.6199 0.0000 0.0000 2671.4973 6141.3791 295.0743 3469.8819 6173.9872 296.8347 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: 3986.28, 0.00390823/step Wall: 3986.28, 0.00390823/step, 1.64189 hours remaining, 113.546875 MB of memory in use. ENERGY: 987600 646.5167 1806.8499 1931.8744 109.2739 1.5561 -1122.5396 0.0000 0.0000 2740.2719 6113.8032 302.6707 3373.5313 6148.1927 297.6891 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: 3987.06, 0.00391561/step Wall: 3987.06, 0.00391561/step, 1.64477 hours remaining, 113.546875 MB of memory in use. ENERGY: 987800 655.9590 1816.1233 1933.0654 115.4585 0.7081 -1120.5447 0.0000 0.0000 2668.2839 6069.0536 294.7194 3400.7697 6104.2985 295.0263 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: 3987.84, 0.00391626/step Wall: 3987.84, 0.00391626/step, 1.64483 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 988000 667.9486 1816.1829 1958.7630 112.7032 1.6312 -1092.1377 0.0000 0.0000 2608.8589 6073.9500 288.1557 3465.0911 6105.2568 293.1978 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: 3988.63, 0.00391971/step Wall: 3988.63, 0.00391971/step, 1.64606 hours remaining, 113.546875 MB of memory in use. ENERGY: 988200 646.9074 1852.7349 1932.9144 107.1899 0.4035 -1089.9324 0.0000 0.0000 2628.4868 6078.7045 290.3237 3450.2177 6111.0971 293.2790 LDB: ============= START OF LOAD BALANCING ============== 3991.33 LDB: ============== END OF LOAD BALANCING =============== 3991.33 LDB: =============== DONE WITH MIGRATION ================ 3991.33 LDB: ============= START OF LOAD BALANCING ============== 3991.72 LDB: ============== END OF LOAD BALANCING =============== 3991.72 LDB: =============== DONE WITH MIGRATION ================ 3991.72 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: 3989.41, 0.00392164/step Wall: 3989.41, 0.00392164/step, 1.64665 hours remaining, 113.546875 MB of memory in use. ENERGY: 988400 628.3023 1773.3377 1969.1856 93.4194 1.4722 -1039.5250 0.0000 0.0000 2646.3472 6072.5393 292.2964 3426.1921 6105.8004 293.3957 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: 3990.19, 0.00390812/step Wall: 3990.19, 0.00390812/step, 1.64076 hours remaining, 113.546875 MB of memory in use. ENERGY: 988600 618.9111 1820.8027 1952.6312 108.9395 0.9405 -1062.4330 0.0000 0.0000 2698.3209 6138.1130 298.0371 3439.7921 6170.9680 296.5216 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: 3990.98, 0.00391488/step Wall: 3990.98, 0.00391488/step, 1.64338 hours remaining, 113.546875 MB of memory in use. ENERGY: 988800 643.9684 1819.3183 1986.6861 113.4558 1.3102 -1115.6793 0.0000 0.0000 2706.2844 6155.3438 298.9166 3449.0594 6189.8028 297.0752 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: 3991.76, 0.00391467/step Wall: 3991.76, 0.00391467/step, 1.64308 hours remaining, 113.546875 MB of memory in use. ENERGY: 989000 630.0377 1832.9720 1951.0880 109.8473 0.6485 -1083.0178 0.0000 0.0000 2690.5892 6132.1648 297.1831 3441.5756 6164.0460 297.7672 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: 3992.54, 0.00391416/step Wall: 3992.54, 0.00391416/step, 1.64264 hours remaining, 113.546875 MB of memory in use. ENERGY: 989200 661.9475 1797.9889 1954.2167 108.9772 2.2863 -1080.1659 0.0000 0.0000 2712.1709 6157.4216 299.5668 3445.2506 6189.4001 297.5158 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: 3993.32, 0.00390689/step Wall: 3993.32, 0.00390689/step, 1.63938 hours remaining, 113.546875 MB of memory in use. ENERGY: 989400 643.6640 1790.2587 1912.4274 109.3221 1.7557 -1053.5940 0.0000 0.0000 2750.2170 6154.0510 303.7691 3403.8340 6188.1508 298.4828 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: 3994.11, 0.00391354/step Wall: 3994.11, 0.00391354/step, 1.64195 hours remaining, 113.546875 MB of memory in use. ENERGY: 989600 656.2156 1869.3006 1947.3238 110.4130 0.9509 -1108.2823 0.0000 0.0000 2683.0217 6158.9432 296.3472 3475.9215 6190.7598 298.2180 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: 3994.89, 0.00391481/step Wall: 3994.89, 0.00391481/step, 1.64226 hours remaining, 113.546875 MB of memory in use. ENERGY: 989800 667.9736 1873.7327 1957.9379 108.8646 1.4452 -1105.6506 0.0000 0.0000 2647.2935 6151.5969 292.4009 3504.3035 6181.6014 298.0898 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: 3995.67, 0.0039143/step Wall: 3995.67, 0.0039143/step, 1.64183 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 990000 656.3777 1859.5019 1933.9216 110.2800 1.5256 -1070.1810 0.0000 0.0000 2652.6225 6144.0483 292.9895 3491.4258 6175.5574 298.6212 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 990000 WRITING COORDINATES TO DCD FILE MD.1.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: 3996.49, 0.0040922/step Wall: 3996.49, 0.0040922/step, 1.71622 hours remaining, 113.546875 MB of memory in use. ENERGY: 990200 660.2554 1801.1773 1972.6054 126.0139 2.7391 -1081.6458 0.0000 0.0000 2694.1284 6175.2737 297.5740 3481.1453 6208.3601 298.8249 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: 3997.27, 0.00390705/step Wall: 3997.27, 0.00390705/step, 1.63836 hours remaining, 113.546875 MB of memory in use. ENERGY: 990400 652.6247 1840.1757 1964.0056 116.5144 1.2938 -1109.0115 0.0000 0.0000 2692.9071 6158.5098 297.4391 3465.6027 6193.7538 299.9266 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: 3998.1, 0.00413034/step Wall: 3998.1, 0.00413034/step, 1.73176 hours remaining, 113.546875 MB of memory in use. ENERGY: 990600 673.2627 1872.2983 1940.9761 111.8842 0.4100 -1107.0423 0.0000 0.0000 2669.7181 6161.5071 294.8778 3491.7890 6192.8586 298.2204 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: 3998.88, 0.00391908/step Wall: 3998.88, 0.00391908/step, 1.64297 hours remaining, 113.546875 MB of memory in use. ENERGY: 990800 638.2667 1861.2478 1951.9680 108.7313 2.3161 -1130.1335 0.0000 0.0000 2678.8059 6111.2023 295.8816 3432.3964 6143.0460 297.5367 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: 3999.66, 0.00391533/step Wall: 3999.66, 0.00391533/step, 1.64118 hours remaining, 113.546875 MB of memory in use. ENERGY: 991000 640.9526 1840.0390 1960.5045 102.6536 0.6827 -1134.6887 0.0000 0.0000 2694.9027 6105.0462 297.6595 3410.1436 6139.6320 295.9174 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: 4000.45, 0.00391492/step Wall: 4000.45, 0.00391492/step, 1.64079 hours remaining, 113.546875 MB of memory in use. ENERGY: 991200 663.4754 1835.4692 1962.0802 115.7906 1.9648 -1147.3724 0.0000 0.0000 2660.6541 6092.0619 293.8767 3431.4078 6124.1121 296.4509 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: 4001.23, 0.00390673/step Wall: 4001.23, 0.00390673/step, 1.63714 hours remaining, 113.546875 MB of memory in use. ENERGY: 991400 656.3877 1849.9138 1952.6329 102.8460 3.4744 -1146.7604 0.0000 0.0000 2674.5185 6093.0128 295.4080 3418.4944 6124.8866 296.0785 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: 4002.01, 0.00391605/step Wall: 4002.01, 0.00391605/step, 1.64083 hours remaining, 113.546875 MB of memory in use. ENERGY: 991600 653.7556 1840.0516 1962.1099 116.1484 1.7379 -1109.1033 0.0000 0.0000 2652.3398 6117.0399 292.9583 3464.7002 6147.7903 295.1958 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: 4002.8, 0.00391644/step Wall: 4002.8, 0.00391644/step, 1.64077 hours remaining, 113.546875 MB of memory in use. ENERGY: 991800 654.5233 1843.4953 1924.7475 117.7425 0.9624 -1135.2019 0.0000 0.0000 2704.2814 6110.5505 298.6954 3406.2692 6144.0332 296.6461 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: 4003.58, 0.00391612/step Wall: 4003.58, 0.00391612/step, 1.64042 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 992000 627.3088 1833.9702 1941.8089 107.1817 3.8901 -1103.7237 0.0000 0.0000 2738.6485 6149.0845 302.4914 3410.4361 6184.6643 296.3491 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: 4004.36, 0.00390842/step Wall: 4004.36, 0.00390842/step, 1.63698 hours remaining, 113.546875 MB of memory in use. ENERGY: 992200 656.3642 1834.5438 1990.4479 89.3102 2.2489 -1139.9855 0.0000 0.0000 2724.9677 6157.8973 300.9803 3432.9296 6193.9934 297.0295 LDB: ============= START OF LOAD BALANCING ============== 4007.06 LDB: ============== END OF LOAD BALANCING =============== 4007.06 LDB: =============== DONE WITH MIGRATION ================ 4007.06 LDB: ============= START OF LOAD BALANCING ============== 4007.45 LDB: ============== END OF LOAD BALANCING =============== 4007.45 LDB: =============== DONE WITH MIGRATION ================ 4007.45 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: 4005.14, 0.00391961/step Wall: 4005.14, 0.00391961/step, 1.64144 hours remaining, 113.546875 MB of memory in use. ENERGY: 992400 648.2530 1842.5522 1968.9179 98.9861 1.2693 -1085.3206 0.0000 0.0000 2711.3581 6186.0162 299.4771 3474.6580 6217.5747 297.7784 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: 4005.93, 0.00391575/step Wall: 4005.93, 0.00391575/step, 1.63961 hours remaining, 113.546875 MB of memory in use. ENERGY: 992600 650.2911 1847.7314 1955.7893 103.8952 0.2536 -1094.9132 0.0000 0.0000 2738.9171 6201.9645 302.5210 3463.0474 6237.8827 298.6622 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: 4006.71, 0.00391649/step Wall: 4006.71, 0.00391649/step, 1.63971 hours remaining, 113.546875 MB of memory in use. ENERGY: 992800 689.9031 1820.5960 1922.7900 110.0533 1.3498 -1086.0186 0.0000 0.0000 2727.0319 6185.7055 301.2083 3458.6736 6217.2180 301.2214 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: 4007.49, 0.0039166/step Wall: 4007.49, 0.0039166/step, 1.63953 hours remaining, 113.546875 MB of memory in use. ENERGY: 993000 639.2523 1905.7710 1946.9262 113.8077 1.5617 -1134.9123 0.0000 0.0000 2752.7772 6225.1838 304.0519 3472.4066 6258.9155 300.2300 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: 4008.28, 0.00390905/step Wall: 4008.28, 0.00390905/step, 1.63615 hours remaining, 113.546875 MB of memory in use. ENERGY: 993200 687.3286 1855.1174 1955.5555 113.9256 0.7043 -1100.5408 0.0000 0.0000 2755.5006 6267.5912 304.3527 3512.0906 6301.8388 302.1265 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: 4009.06, 0.00391682/step Wall: 4009.06, 0.00391682/step, 1.63919 hours remaining, 113.546875 MB of memory in use. ENERGY: 993400 647.6995 1891.4167 1974.3424 118.5020 1.1295 -1133.8374 0.0000 0.0000 2735.9054 6235.1580 302.1884 3499.2527 6267.6504 303.1323 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: 4009.84, 0.00391683/step Wall: 4009.84, 0.00391683/step, 1.63898 hours remaining, 113.546875 MB of memory in use. ENERGY: 993600 712.3589 1881.6378 1938.7795 111.2956 1.5309 -1068.5195 0.0000 0.0000 2704.2955 6281.3787 298.6970 3577.0832 6315.0250 302.5677 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: 4010.63, 0.00391614/step Wall: 4010.63, 0.00391614/step, 1.63847 hours remaining, 113.546875 MB of memory in use. ENERGY: 993800 658.1328 1813.4224 1964.0969 101.2209 0.7372 -1074.4169 0.0000 0.0000 2779.5966 6242.7900 307.0142 3463.1933 6277.8078 303.7038 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: 4011.41, 0.00391613/step Wall: 4011.41, 0.00391613/step, 1.63825 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 994000 665.6436 1877.2408 1963.1657 107.6739 2.8700 -1093.2594 0.0000 0.0000 2716.3033 6239.6379 300.0233 3523.3346 6272.3323 301.1985 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: 4012.19, 0.00390907/step Wall: 4012.19, 0.00390907/step, 1.63508 hours remaining, 113.546875 MB of memory in use. ENERGY: 994200 675.1614 1857.9066 1966.1482 108.7049 2.2080 -1093.8585 0.0000 0.0000 2697.4156 6213.6861 297.9371 3516.2705 6244.4370 301.6928 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: 4012.97, 0.00391718/step Wall: 4012.97, 0.00391718/step, 1.63825 hours remaining, 113.546875 MB of memory in use. ENERGY: 994400 653.7957 1850.6136 1971.9849 104.7528 1.4891 -1145.6675 0.0000 0.0000 2770.3198 6207.2884 305.9895 3436.9686 6243.9534 300.8256 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: 4013.76, 0.00391567/step Wall: 4013.76, 0.00391567/step, 1.6374 hours remaining, 113.546875 MB of memory in use. ENERGY: 994600 641.8074 1852.1960 1957.9089 112.4757 0.3717 -1108.9851 0.0000 0.0000 2722.4053 6178.1799 300.6973 3455.7746 6213.6329 300.3772 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: 4014.54, 0.00391558/step Wall: 4014.54, 0.00391558/step, 1.63715 hours remaining, 113.546875 MB of memory in use. ENERGY: 994800 667.2083 1879.2032 1939.5652 111.6578 1.9192 -1079.6423 0.0000 0.0000 2713.9655 6233.8768 299.7650 3519.9113 6267.9915 300.4236 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: 4015.32, 0.00390903/step Wall: 4015.32, 0.00390903/step, 1.63419 hours remaining, 113.546875 MB of memory in use. ENERGY: 995000 717.8519 1901.1600 1947.3179 109.2164 1.6909 -1115.8084 0.0000 0.0000 2707.8903 6269.3190 299.0940 3561.4287 6301.8117 304.2019 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: 4016.11, 0.0039157/step Wall: 4016.11, 0.0039157/step, 1.63676 hours remaining, 113.546875 MB of memory in use. ENERGY: 995200 644.8692 1872.4810 1966.8674 118.9642 1.4011 -1085.5330 0.0000 0.0000 2715.9725 6235.0224 299.9867 3519.0499 6266.1677 304.1737 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: 4016.89, 0.00391696/step Wall: 4016.89, 0.00391696/step, 1.63707 hours remaining, 113.546875 MB of memory in use. ENERGY: 995400 665.0304 1823.8666 1928.0247 104.7250 1.1823 -1076.3757 0.0000 0.0000 2698.0972 6144.5505 298.0124 3446.4533 6179.3024 300.0966 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: 4017.67, 0.00391576/step Wall: 4017.67, 0.00391576/step, 1.63635 hours remaining, 113.546875 MB of memory in use. ENERGY: 995600 663.8214 1845.2791 1918.0583 103.7787 1.0216 -1074.1006 0.0000 0.0000 2736.8384 6194.6970 302.2914 3457.8586 6229.1885 298.9067 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: 4018.46, 0.00391482/step Wall: 4018.46, 0.00391482/step, 1.63574 hours remaining, 113.546875 MB of memory in use. ENERGY: 995800 644.5662 1874.4997 1938.9567 115.4215 1.8374 -1101.7816 0.0000 0.0000 2716.9709 6190.4708 300.0970 3473.4999 6224.1623 300.9800 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: 4019.24, 0.00390772/step Wall: 4019.24, 0.00390772/step, 1.63256 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 996000 645.4148 1858.9427 1921.8036 120.3401 1.8387 -1069.7996 0.0000 0.0000 2725.8345 6204.3749 301.0760 3478.5403 6239.1065 300.8287 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: 4020.02, 0.00391606/step Wall: 4020.02, 0.00391606/step, 1.63583 hours remaining, 113.546875 MB of memory in use. ENERGY: 996200 680.4292 1839.9216 1955.4372 102.8540 1.2180 -1104.7323 0.0000 0.0000 2715.6501 6190.7777 299.9511 3475.1276 6224.9319 301.2806 LDB: ============= START OF LOAD BALANCING ============== 4022.72 LDB: ============== END OF LOAD BALANCING =============== 4022.72 LDB: =============== DONE WITH MIGRATION ================ 4022.72 LDB: ============= START OF LOAD BALANCING ============== 4023.11 LDB: ============== END OF LOAD BALANCING =============== 4023.11 LDB: =============== DONE WITH MIGRATION ================ 4023.11 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: 4020.8, 0.00392208/step Wall: 4020.8, 0.00392208/step, 1.63812 hours remaining, 113.546875 MB of memory in use. ENERGY: 996400 658.7818 1906.8470 1936.0081 107.5874 1.2392 -1129.2288 0.0000 0.0000 2690.7975 6172.0321 297.2061 3481.2346 6206.3274 300.5868 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: 4021.59, 0.00391822/step Wall: 4021.59, 0.00391822/step, 1.63629 hours remaining, 113.546875 MB of memory in use. ENERGY: 996600 625.2962 1822.9074 1948.2652 107.3880 1.1886 -1093.1372 0.0000 0.0000 2747.1591 6159.0672 303.4314 3411.9082 6194.4502 300.1473 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: 4022.37, 0.00391044/step Wall: 4022.37, 0.00391044/step, 1.63283 hours remaining, 113.546875 MB of memory in use. ENERGY: 996800 640.9336 1811.1259 1963.8869 109.5234 0.3882 -1079.7074 0.0000 0.0000 2693.7436 6139.8940 297.5315 3446.1504 6173.3438 298.4313 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: 4023.15, 0.00391578/step Wall: 4023.15, 0.00391578/step, 1.63484 hours remaining, 113.546875 MB of memory in use. ENERGY: 997000 693.5151 1881.4737 1931.7829 126.6403 2.0936 -1122.6362 0.0000 0.0000 2670.7429 6183.6123 294.9910 3512.8694 6214.0046 298.5887 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: 4023.94, 0.00391641/step Wall: 4023.94, 0.00391641/step, 1.63489 hours remaining, 113.546875 MB of memory in use. ENERGY: 997200 677.4676 1813.9494 1949.4701 112.9686 1.2721 -1125.0604 0.0000 0.0000 2735.7259 6165.7932 302.1685 3430.0673 6200.6999 302.1610 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: 4024.72, 0.00391657/step Wall: 4024.72, 0.00391657/step, 1.63473 hours remaining, 113.546875 MB of memory in use. ENERGY: 997400 593.6791 1868.9369 1961.3875 114.0284 1.2995 -1128.2906 0.0000 0.0000 2745.5147 6156.5555 303.2497 3411.0408 6193.2520 299.7079 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: 4025.5, 0.00391719/step Wall: 4025.5, 0.00391719/step, 1.63477 hours remaining, 113.546875 MB of memory in use. ENERGY: 997600 639.1909 1871.8180 1924.9494 112.7206 0.1228 -1068.0118 0.0000 0.0000 2703.7396 6184.5296 298.6356 3480.7900 6216.4784 298.8039 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: 4026.29, 0.00391046/step Wall: 4026.29, 0.00391046/step, 1.63175 hours remaining, 113.546875 MB of memory in use. ENERGY: 997800 642.9553 1901.3915 1923.0196 103.8696 1.3040 -1087.5989 0.0000 0.0000 2697.3355 6182.2767 297.9282 3484.9411 6214.1595 298.7084 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: 4027.07, 0.00392931/step Wall: 4027.07, 0.00392931/step, 1.6394 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 998000 667.4717 1846.5239 1972.3608 101.2479 2.1375 -1076.1734 0.0000 0.0000 2704.3328 6217.9012 298.7011 3513.5685 6250.3121 301.9991 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: 4027.86, 0.00391909/step Wall: 4027.86, 0.00391909/step, 1.63491 hours remaining, 113.546875 MB of memory in use. ENERGY: 998200 646.0738 1835.1311 1981.4383 120.6880 1.3813 -1083.2761 0.0000 0.0000 2681.5087 6182.9450 296.1801 3501.4363 6214.7197 299.4210 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: 4028.64, 0.00392095/step Wall: 4028.64, 0.00392095/step, 1.63547 hours remaining, 113.546875 MB of memory in use. ENERGY: 998400 655.2796 1900.7897 1933.2381 96.1674 1.6327 -1096.5247 0.0000 0.0000 2707.9912 6198.5740 299.1052 3490.5828 6231.4411 301.4641 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: 4029.42, 0.00391042/step Wall: 4029.42, 0.00391042/step, 1.63086 hours remaining, 113.546875 MB of memory in use. ENERGY: 998600 616.3866 1904.3930 1962.1252 108.6438 1.8401 -1075.4655 0.0000 0.0000 2735.4983 6253.4215 302.1434 3517.9232 6288.3227 300.9695 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: 4030.2, 0.00391539/step Wall: 4030.2, 0.00391539/step, 1.63272 hours remaining, 113.546875 MB of memory in use. ENERGY: 998800 647.5598 1868.6131 1974.8317 111.8977 1.4620 -1089.0752 0.0000 0.0000 2685.0341 6200.3230 296.5695 3515.2889 6233.2819 300.7470 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: 4030.99, 0.00391621/step Wall: 4030.99, 0.00391621/step, 1.63284 hours remaining, 113.546875 MB of memory in use. ENERGY: 999000 660.1313 1868.2321 1974.1707 96.8602 0.9393 -1139.4207 0.0000 0.0000 2709.9239 6170.8368 299.3186 3460.9130 6204.1703 300.0509 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: 4031.77, 0.00391651/step Wall: 4031.77, 0.00391651/step, 1.63275 hours remaining, 113.546875 MB of memory in use. ENERGY: 999200 661.4159 1831.2599 1960.8811 96.9393 0.9776 -1036.9093 0.0000 0.0000 2712.2154 6226.7799 299.5717 3514.5645 6258.9821 300.0898 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: 4032.55, 0.00391641/step Wall: 4032.55, 0.00391641/step, 1.63249 hours remaining, 113.546875 MB of memory in use. ENERGY: 999400 669.2197 1878.5681 1928.2282 112.1134 1.4746 -1122.7529 0.0000 0.0000 2734.7995 6201.6507 302.0662 3466.8512 6235.2429 301.1450 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: 4033.34, 0.003911/step Wall: 4033.34, 0.003911/step, 1.63002 hours remaining, 113.546875 MB of memory in use. ENERGY: 999600 639.9588 1848.5854 1952.3331 108.0230 1.8339 -1065.2005 0.0000 0.0000 2630.9799 6116.5137 290.5991 3485.5338 6149.9845 297.8882 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: 4034.12, 0.00391542/step Wall: 4034.12, 0.00391542/step, 1.63164 hours remaining, 113.546875 MB of memory in use. ENERGY: 999800 673.0887 1864.6729 1921.6335 104.6419 1.3485 -1123.6005 0.0000 0.0000 2694.3821 6136.1672 297.6020 3441.7850 6168.6782 297.0398 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: 4034.9, 0.00391613/step Wall: 4034.9, 0.00391613/step, 1.63172 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1000000 667.2968 1849.3799 1958.5798 105.6596 1.3638 -1123.2618 0.0000 0.0000 2655.6762 6114.6943 293.3268 3459.0181 6146.3523 298.3869 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1000000 WRITING COORDINATES TO DCD FILE MD.1.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: 4035.72, 0.00410675/step Wall: 4035.72, 0.00410675/step, 1.71092 hours remaining, 113.546875 MB of memory in use. ENERGY: 1000200 658.8416 1842.9097 1963.1472 103.6829 0.3067 -1134.6310 0.0000 0.0000 2670.4428 6104.6998 294.9578 3434.2571 6136.2511 298.4954 LDB: ============= START OF LOAD BALANCING ============== 4038.42 LDB: ============== END OF LOAD BALANCING =============== 4038.42 LDB: =============== DONE WITH MIGRATION ================ 4038.42 LDB: ============= START OF LOAD BALANCING ============== 4038.82 LDB: ============== END OF LOAD BALANCING =============== 4038.82 LDB: =============== DONE WITH MIGRATION ================ 4038.82 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: 4036.51, 0.00392112/step Wall: 4036.51, 0.00392112/step, 1.63336 hours remaining, 113.546875 MB of memory in use. ENERGY: 1000400 652.3104 1813.4982 1938.1210 104.4448 2.6468 -1083.5534 0.0000 0.0000 2715.3350 6142.8029 299.9163 3427.4678 6174.7124 296.7336 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: 4037.29, 0.00390975/step Wall: 4037.29, 0.00390975/step, 1.62841 hours remaining, 113.546875 MB of memory in use. ENERGY: 1000600 675.9212 1842.4897 1936.6060 104.3192 2.5494 -1078.4371 0.0000 0.0000 2665.8225 6149.2708 294.4475 3483.4483 6180.5248 298.0537 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: 4038.07, 0.00392088/step Wall: 4038.07, 0.00392088/step, 1.63283 hours remaining, 113.546875 MB of memory in use. ENERGY: 1000800 668.5602 1813.2947 1949.7300 107.6667 1.5183 -1079.4195 0.0000 0.0000 2679.0571 6140.4075 295.9093 3461.3504 6170.6455 298.3159 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: 4038.86, 0.00391385/step Wall: 4038.86, 0.00391385/step, 1.62968 hours remaining, 113.546875 MB of memory in use. ENERGY: 1001000 644.9864 1826.9747 1962.1908 103.8497 0.6257 -1072.4497 0.0000 0.0000 2722.0854 6188.2632 300.6619 3466.1777 6217.7990 297.9097 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: 4039.64, 0.0039132/step Wall: 4039.64, 0.0039132/step, 1.6292 hours remaining, 113.546875 MB of memory in use. ENERGY: 1001200 659.3335 1849.1025 1989.9785 102.3226 1.0419 -1080.7667 0.0000 0.0000 2615.2073 6136.2196 288.8569 3521.0123 6168.0725 297.3092 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: 4040.42, 0.00390826/step Wall: 4040.42, 0.00390826/step, 1.62692 hours remaining, 113.546875 MB of memory in use. ENERGY: 1001400 659.4713 1792.6646 1947.9103 114.0096 0.1882 -1085.6907 0.0000 0.0000 2738.5394 6167.0927 302.4793 3428.5533 6200.7748 298.1225 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: 4041.2, 0.00391381/step Wall: 4041.2, 0.00391381/step, 1.62901 hours remaining, 113.546875 MB of memory in use. ENERGY: 1001600 657.9663 1890.2249 1945.9084 114.5299 0.7047 -1111.5983 0.0000 0.0000 2721.7357 6219.4717 300.6233 3497.7359 6253.7075 300.6757 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: 4041.99, 0.003913/step Wall: 4041.99, 0.003913/step, 1.62846 hours remaining, 113.546875 MB of memory in use. ENERGY: 1001800 662.4169 1802.9256 1964.5421 108.0413 0.2092 -1114.2077 0.0000 0.0000 2730.2563 6154.1837 301.5644 3423.9274 6187.6254 301.1994 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: 4042.77, 0.00391571/step Wall: 4042.77, 0.00391571/step, 1.62937 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1002000 663.4012 1837.1142 1934.4268 107.7872 1.1598 -1120.4329 0.0000 0.0000 2725.3253 6148.7816 301.0198 3423.4563 6183.6682 298.1777 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: 4043.55, 0.003912/step Wall: 4043.55, 0.003912/step, 1.62761 hours remaining, 113.546875 MB of memory in use. ENERGY: 1002200 646.2356 1884.8561 1929.9410 120.5934 2.1825 -1115.8928 0.0000 0.0000 2708.8180 6176.7339 299.1965 3467.9159 6208.5454 299.5549 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: 4044.33, 0.00390861/step Wall: 4044.33, 0.00390861/step, 1.62598 hours remaining, 113.546875 MB of memory in use. ENERGY: 1002400 675.4412 1860.9705 1968.7031 119.4900 0.6375 -1109.2820 0.0000 0.0000 2694.9222 6210.8826 297.6617 3515.9604 6242.6123 300.1044 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: 4045.12, 0.003913/step Wall: 4045.12, 0.003913/step, 1.62759 hours remaining, 113.546875 MB of memory in use. ENERGY: 1002600 642.1865 1793.7286 1950.5168 118.4063 1.7562 -1070.5114 0.0000 0.0000 2734.0974 6170.1805 301.9887 3436.0831 6201.2337 299.7449 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: 4045.9, 0.00391248/step Wall: 4045.9, 0.00391248/step, 1.62716 hours remaining, 113.546875 MB of memory in use. ENERGY: 1002800 673.8128 1846.3195 1933.1603 104.6832 1.7203 -1119.2448 0.0000 0.0000 2691.2596 6131.7109 297.2571 3440.4513 6163.4457 299.0961 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: 4046.68, 0.00391428/step Wall: 4046.68, 0.00391428/step, 1.62769 hours remaining, 113.546875 MB of memory in use. ENERGY: 1003000 663.6191 1828.6088 1958.8509 112.2373 2.4760 -1107.0170 0.0000 0.0000 2691.0296 6149.8047 297.2317 3458.7751 6182.7565 297.6471 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: 4047.46, 0.00390712/step Wall: 4047.46, 0.00390712/step, 1.6245 hours remaining, 113.546875 MB of memory in use. ENERGY: 1003200 652.4025 1826.8538 1956.7602 104.6954 1.7529 -1098.7819 0.0000 0.0000 2703.1301 6146.8130 298.5683 3443.6829 6178.6440 297.1364 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: 4048.25, 0.0039114/step Wall: 4048.25, 0.0039114/step, 1.62606 hours remaining, 113.546875 MB of memory in use. ENERGY: 1003400 669.4636 1855.7744 1940.0388 112.9303 2.4003 -1081.9103 0.0000 0.0000 2670.5284 6169.2255 294.9673 3498.6971 6201.1056 296.8043 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: 4049.03, 0.00391411/step Wall: 4049.03, 0.00391411/step, 1.62696 hours remaining, 113.546875 MB of memory in use. ENERGY: 1003600 653.6008 1885.1975 1973.8811 120.4798 2.1493 -1142.1903 0.0000 0.0000 2692.7981 6185.9163 297.4271 3493.1181 6215.2296 298.6384 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: 4049.81, 0.0039139/step Wall: 4049.81, 0.0039139/step, 1.62666 hours remaining, 113.546875 MB of memory in use. ENERGY: 1003800 637.3860 1836.2307 1982.9358 101.9297 2.4277 -1150.2977 0.0000 0.0000 2757.8900 6168.5023 304.6166 3410.6123 6201.9401 300.1116 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: 4050.59, 0.00391276/step Wall: 4050.59, 0.00391276/step, 1.62597 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1004000 675.3680 1843.3563 1965.6023 101.7769 1.8718 -1126.6101 0.0000 0.0000 2696.7401 6158.1052 297.8625 3461.3651 6193.7325 298.1693 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: 4051.38, 0.00390792/step Wall: 4051.38, 0.00390792/step, 1.62374 hours remaining, 113.546875 MB of memory in use. ENERGY: 1004200 638.2854 1852.6397 1957.7004 97.8913 0.6817 -1117.2067 0.0000 0.0000 2695.6186 6125.6103 297.7386 3429.9917 6159.3750 295.9542 LDB: ============= START OF LOAD BALANCING ============== 4054.08 LDB: ============== END OF LOAD BALANCING =============== 4054.08 LDB: =============== DONE WITH MIGRATION ================ 4054.08 LDB: ============= START OF LOAD BALANCING ============== 4054.47 LDB: ============== END OF LOAD BALANCING =============== 4054.47 LDB: =============== DONE WITH MIGRATION ================ 4054.47 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: 4052.16, 0.0039179/step Wall: 4052.16, 0.0039179/step, 1.62767 hours remaining, 113.546875 MB of memory in use. ENERGY: 1004400 628.4090 1818.8197 1951.3783 107.5647 2.0551 -1079.9796 0.0000 0.0000 2688.0410 6116.2882 296.9016 3428.2472 6148.3838 296.3264 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: 4052.94, 0.00391406/step Wall: 4052.94, 0.00391406/step, 1.62586 hours remaining, 113.546875 MB of memory in use. ENERGY: 1004600 668.2419 1849.2696 1968.9225 99.1728 1.7800 -1114.4451 0.0000 0.0000 2687.4529 6160.3946 296.8367 3472.9416 6192.3643 298.1201 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: 4053.72, 0.00391387/step Wall: 4053.72, 0.00391387/step, 1.62556 hours remaining, 113.546875 MB of memory in use. ENERGY: 1004800 685.0214 1865.7438 1948.5014 96.4751 3.1355 -1094.5710 0.0000 0.0000 2687.6965 6192.0027 296.8636 3504.3062 6224.0166 300.5737 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: 4054.51, 0.00391321/step Wall: 4054.51, 0.00391321/step, 1.62507 hours remaining, 113.546875 MB of memory in use. ENERGY: 1005000 686.8652 1794.3331 1990.0778 111.9018 0.9681 -1101.4878 0.0000 0.0000 2703.3694 6186.0275 298.5947 3482.6582 6220.7694 300.1386 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: 4055.29, 0.00390784/step Wall: 4055.29, 0.00390784/step, 1.62262 hours remaining, 113.546875 MB of memory in use. ENERGY: 1005200 644.5999 1855.7474 1981.2146 116.5193 2.3029 -1147.0332 0.0000 0.0000 2692.9859 6146.3368 297.4478 3453.3509 6177.8177 299.8008 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: 4056.07, 0.00391279/step Wall: 4056.07, 0.00391279/step, 1.62446 hours remaining, 113.546875 MB of memory in use. ENERGY: 1005400 650.3960 1837.4725 1954.4896 102.7638 1.2882 -1074.1331 0.0000 0.0000 2689.0613 6161.3382 297.0143 3472.2769 6193.2791 298.6773 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: 4056.85, 0.00391413/step Wall: 4056.85, 0.00391413/step, 1.6248 hours remaining, 113.546875 MB of memory in use. ENERGY: 1005600 653.7720 1793.7341 1963.1599 111.3031 1.3557 -1129.6918 0.0000 0.0000 2778.0432 6171.6762 306.8426 3393.6329 6206.0849 299.7671 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: 4057.64, 0.00391137/step Wall: 4057.64, 0.00391137/step, 1.62343 hours remaining, 113.546875 MB of memory in use. ENERGY: 1005800 660.7699 1826.0456 1957.3291 114.2684 1.5174 -1097.2272 0.0000 0.0000 2708.4121 6171.1153 299.1517 3462.7032 6207.6237 298.7491 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: 4058.42, 0.00390739/step Wall: 4058.42, 0.00390739/step, 1.62157 hours remaining, 113.546875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1006000 651.8925 1916.5995 1952.0404 109.9941 1.6181 -1119.6848 0.0000 0.0000 2717.7533 6230.2131 300.1834 3512.4598 6261.7373 300.9525 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: 4059.2, 0.00391122/step Wall: 4059.2, 0.00391122/step, 1.62294 hours remaining, 113.546875 MB of memory in use. ENERGY: 1006200 669.3773 1846.9133 1944.7728 124.4391 1.3322 -1096.4195 0.0000 0.0000 2741.9190 6232.3342 302.8526 3490.4152 6267.9671 301.4155 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: 4059.98, 0.00391125/step Wall: 4059.98, 0.00391125/step, 1.62273 hours remaining, 113.546875 MB of memory in use. ENERGY: 1006400 665.4519 1882.1558 1969.6291 119.4282 2.0341 -1066.8992 0.0000 0.0000 2700.9874 6272.7872 298.3316 3571.7998 6303.4944 303.0319 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: 4060.77, 0.0039137/step Wall: 4060.77, 0.00391369/step, 1.62353 hours remaining, 113.546875 MB of memory in use. ENERGY: 1006600 655.9581 1886.8890 1962.7244 112.0898 1.7812 -1074.3093 0.0000 0.0000 2713.2107 6258.3440 299.6817 3545.1333 6286.9074 305.2978 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: 4061.55, 0.00391467/step Wall: 4061.55, 0.00391468/step, 1.62372 hours remaining, 113.546875 MB of memory in use. ENERGY: 1006800 672.3370 1845.3513 1961.2630 99.2546 0.5300 -1100.0974 0.0000 0.0000 2712.8554 6191.4940 299.6424 3478.6386 6225.6019 300.2241 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: 4062.33, 0.00391084/step Wall: 4062.33, 0.00391084/step, 1.62191 hours remaining, 113.546875 MB of memory in use. ENERGY: 1007000 633.1401 1809.9782 1971.0414 105.4276 0.3763 -1098.1265 0.0000 0.0000 2708.6385 6130.4755 299.1767 3421.8370 6163.4807 295.6879 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: 4063.11, 0.00391385/step Wall: 4063.11, 0.00391385/step, 1.62294 hours remaining, 113.546875 MB of memory in use. ENERGY: 1007200 663.5205 1837.3790 1943.9934 108.8015 2.0215 -1094.8118 0.0000 0.0000 2740.2280 6201.1322 302.6658 3460.9042 6233.4236 299.1209 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: 4063.9, 0.00391343/step Wall: 4063.9, 0.00391343/step, 1.62255 hours remaining, 113.546875 MB of memory in use. ENERGY: 1007400 636.0480 1838.5882 1990.5329 113.8814 0.3158 -1082.7174 0.0000 0.0000 2742.9137 6239.5625 302.9625 3496.6489 6273.9000 301.8598 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: 4064.68, 0.00391291/step Wall: 4064.68, 0.00391291/step, 1.62212 hours remaining, 113.546875 MB of memory in use. ENERGY: 1007600 645.7652 1829.2367 1956.5086 108.1406 1.9014 -1089.1020 0.0000 0.0000 2755.3275 6207.7779 304.3336 3452.4504 6242.8665 302.0281 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: 4065.46, 0.00390697/step Wall: 4065.46, 0.00390697/step, 1.61944 hours remaining, 113.546875 MB of memory in use. ENERGY: 1007800 656.5969 1801.3295 1949.6774 102.8881 1.2891 -1072.7510 0.0000 0.0000 2755.5857 6194.6156 304.3621 3439.0299 6226.4733 299.9442 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: 4066.24, 0.00391284/step Wall: 4066.24, 0.00391284/step, 1.62165 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1008000 686.7104 1833.5460 1969.2308 115.9606 1.1196 -1122.6989 0.0000 0.0000 2709.3624 6193.2309 299.2566 3483.8685 6226.4556 299.3083 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: 4067.03, 0.00391412/step Wall: 4067.03, 0.00391412/step, 1.62197 hours remaining, 113.550781 MB of memory in use. ENERGY: 1008200 673.5071 1824.4565 1974.5096 110.8057 0.6873 -1140.9681 0.0000 0.0000 2704.2089 6147.2069 298.6874 3442.9980 6181.9510 298.8994 LDB: ============= START OF LOAD BALANCING ============== 4069.73 LDB: ============== END OF LOAD BALANCING =============== 4069.73 LDB: =============== DONE WITH MIGRATION ================ 4069.73 LDB: ============= START OF LOAD BALANCING ============== 4070.12 LDB: ============== END OF LOAD BALANCING =============== 4070.12 LDB: =============== DONE WITH MIGRATION ================ 4070.12 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: 4067.81, 0.00391859/step Wall: 4067.81, 0.00391859/step, 1.6236 hours remaining, 113.550781 MB of memory in use. ENERGY: 1008400 638.6920 1812.4794 1945.3546 108.4389 1.7800 -1101.7698 0.0000 0.0000 2739.6038 6144.5790 302.5969 3404.9752 6182.4224 298.3319 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: 4068.59, 0.00391412/step Wall: 4068.59, 0.00391412/step, 1.62153 hours remaining, 113.550781 MB of memory in use. ENERGY: 1008600 666.2553 1893.3336 1960.5191 119.5839 2.8381 -1138.9335 0.0000 0.0000 2665.6693 6169.2659 294.4306 3503.5966 6199.8503 298.6457 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: 4069.37, 0.00390857/step Wall: 4069.37, 0.00390857/step, 1.61902 hours remaining, 113.550781 MB of memory in use. ENERGY: 1008800 652.2074 1817.9497 1951.5021 108.6438 2.0631 -1085.4182 0.0000 0.0000 2709.8863 6156.8342 299.3145 3446.9479 6191.2007 298.4800 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: 4070.16, 0.00391157/step Wall: 4070.16, 0.00391157/step, 1.62004 hours remaining, 113.550781 MB of memory in use. ENERGY: 1009000 629.5575 1869.2818 1974.3283 109.0977 3.0215 -1086.0137 0.0000 0.0000 2667.2888 6166.5619 294.6095 3499.2731 6198.8659 298.4579 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: 4070.94, 0.0039139/step Wall: 4070.94, 0.0039139/step, 1.62079 hours remaining, 113.550781 MB of memory in use. ENERGY: 1009200 642.1241 1856.4101 1929.6543 101.0635 1.5373 -1074.8438 0.0000 0.0000 2674.8021 6130.7477 295.4393 3455.9456 6166.6167 296.2199 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: 4071.72, 0.00391367/step Wall: 4071.72, 0.00391366/step, 1.62047 hours remaining, 113.550781 MB of memory in use. ENERGY: 1009400 645.5260 1813.7692 1968.9201 100.8356 2.0850 -1100.7574 0.0000 0.0000 2746.2103 6176.5888 303.3266 3430.3785 6209.6689 296.8884 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: 4072.5, 0.00390955/step Wall: 4072.5, 0.00390956/step, 1.61856 hours remaining, 113.550781 MB of memory in use. ENERGY: 1009600 632.6181 1824.4284 1968.2984 108.8778 2.4560 -1071.0802 0.0000 0.0000 2657.6526 6123.2513 293.5451 3465.5987 6158.8071 297.4018 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: 4073.29, 0.00391461/step Wall: 4073.29, 0.00391461/step, 1.62043 hours remaining, 113.550781 MB of memory in use. ENERGY: 1009800 633.8033 1818.2173 1975.9615 102.8407 2.8608 -1096.1788 0.0000 0.0000 2651.9610 6089.4657 292.9165 3437.5048 6120.1956 292.4085 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: 4074.07, 0.00391701/step Wall: 4074.07, 0.00391701/step, 1.62121 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1010000 648.5818 1814.7859 1950.1880 113.6651 1.7091 -1110.9935 0.0000 0.0000 2649.1946 6067.1309 292.6109 3417.9363 6102.0218 293.1722 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1010000 WRITING COORDINATES TO DCD FILE MD.1.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: 4081.28, 0.0360668/step Wall: 4081.28, 0.0360668/step, 14.9256 hours remaining, 113.550781 MB of memory in use. ENERGY: 1010200 615.6758 1806.3147 1947.4722 95.6271 3.3676 -1095.7414 0.0000 0.0000 2672.4706 6045.1866 295.1818 3372.7159 6077.6668 293.6370 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: 4082.07, 0.00391584/step Wall: 4082.07, 0.00391584/step, 1.62029 hours remaining, 113.550781 MB of memory in use. ENERGY: 1010400 616.5557 1817.5790 1983.3119 114.0593 1.5918 -1104.1263 0.0000 0.0000 2619.0250 6047.9965 289.2786 3428.9715 6080.9515 292.2185 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: 4082.85, 0.00391454/step Wall: 4082.85, 0.00391454/step, 1.61953 hours remaining, 113.550781 MB of memory in use. ENERGY: 1010600 630.5257 1825.5612 1944.1777 111.3163 2.4078 -1100.6749 0.0000 0.0000 2697.8125 6111.1263 297.9809 3413.3138 6143.4429 292.7366 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: 4083.63, 0.00391403/step Wall: 4083.63, 0.00391402/step, 1.6191 hours remaining, 113.550781 MB of memory in use. ENERGY: 1010800 649.3078 1828.2117 1941.4911 107.9131 2.9843 -1117.9885 0.0000 0.0000 2677.1936 6089.1131 295.7035 3411.9195 6122.5522 295.4461 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: 4084.41, 0.00391007/step Wall: 4084.41, 0.00391008/step, 1.61725 hours remaining, 113.550781 MB of memory in use. ENERGY: 1011000 678.4978 1818.7515 1968.1533 109.7693 2.5399 -1114.9769 0.0000 0.0000 2681.1582 6143.8930 296.1414 3462.7348 6178.1503 297.6170 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: 4085.2, 0.00391451/step Wall: 4085.2, 0.00391451/step, 1.61887 hours remaining, 113.550781 MB of memory in use. ENERGY: 1011200 654.5907 1883.2666 1958.6813 94.7365 2.3804 -1106.0409 0.0000 0.0000 2602.0923 6089.7068 287.4083 3487.6146 6120.1662 295.7541 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: 4085.98, 0.00391474/step Wall: 4085.98, 0.00391474/step, 1.61875 hours remaining, 113.550781 MB of memory in use. ENERGY: 1011400 633.0105 1848.9526 1963.5660 98.2167 1.8655 -1113.1932 0.0000 0.0000 2714.5449 6146.9630 299.8290 3432.4181 6180.5446 294.0804 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: 4086.76, 0.00392604/step Wall: 4086.76, 0.00392604/step, 1.6232 hours remaining, 113.550781 MB of memory in use. ENERGY: 1011600 662.1389 1794.5096 1972.0303 113.2435 2.5674 -1111.6528 0.0000 0.0000 2785.1726 6218.0095 307.6301 3432.8368 6251.0600 300.2242 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: 4087.55, 0.00391339/step Wall: 4087.55, 0.00391339/step, 1.61775 hours remaining, 113.550781 MB of memory in use. ENERGY: 1011800 653.2611 1846.4193 1953.7349 112.1188 2.0307 -1100.4628 0.0000 0.0000 2767.5167 6234.6187 305.6799 3467.1020 6270.1124 302.4982 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: 4088.33, 0.0039149/step Wall: 4088.33, 0.0039149/step, 1.61816 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1012000 660.7700 1859.6359 1981.1573 118.1612 1.6590 -1058.3019 0.0000 0.0000 2683.9041 6246.9856 296.4447 3563.0815 6279.0944 303.6587 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: 4089.11, 0.00391347/step Wall: 4089.11, 0.00391347/step, 1.61735 hours remaining, 113.550781 MB of memory in use. ENERGY: 1012200 644.1799 1887.0614 1949.3236 118.9176 1.9187 -1081.8627 0.0000 0.0000 2783.6064 6303.1450 307.4571 3519.5386 6336.8194 305.3454 LDB: ============= START OF LOAD BALANCING ============== 4091.81 LDB: ============== END OF LOAD BALANCING =============== 4091.81 LDB: =============== DONE WITH MIGRATION ================ 4091.81 LDB: ============= START OF LOAD BALANCING ============== 4092.21 LDB: ============== END OF LOAD BALANCING =============== 4092.21 LDB: =============== DONE WITH MIGRATION ================ 4092.21 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: 4089.9, 0.00391763/step Wall: 4089.9, 0.00391763/step, 1.61885 hours remaining, 113.550781 MB of memory in use. ENERGY: 1012400 672.2666 1870.9430 1947.0165 93.7438 1.1989 -1092.1781 0.0000 0.0000 2726.6033 6219.5939 301.1609 3492.9906 6255.0826 304.9036 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: 4090.68, 0.00391368/step Wall: 4090.68, 0.00391368/step, 1.617 hours remaining, 113.550781 MB of memory in use. ENERGY: 1012600 679.8317 1846.6683 1950.3355 110.6973 1.6036 -1101.5845 0.0000 0.0000 2742.7958 6230.3477 302.9494 3487.5519 6262.5831 300.9253 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: 4091.46, 0.00390782/step Wall: 4091.46, 0.00390782/step, 1.61436 hours remaining, 113.550781 MB of memory in use. ENERGY: 1012800 675.0917 1918.8444 1936.4517 110.8811 1.1678 -1072.5543 0.0000 0.0000 2647.5741 6217.4565 292.4319 3569.8824 6248.4357 299.6523 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: 4092.24, 0.00391335/step Wall: 4092.24, 0.00391335/step, 1.61643 hours remaining, 113.550781 MB of memory in use. ENERGY: 1013000 657.6431 1853.8176 1955.1092 108.7935 1.4413 -1099.5763 0.0000 0.0000 2760.1051 6237.3336 304.8613 3477.2285 6269.2844 300.4819 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: 4093.03, 0.00391469/step Wall: 4093.03, 0.00391469/step, 1.61677 hours remaining, 113.550781 MB of memory in use. ENERGY: 1013200 637.8096 1846.5351 1966.2186 101.8447 -0.5963 -1089.2879 0.0000 0.0000 2729.1440 6191.6679 301.4416 3462.5239 6226.9024 301.0017 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: 4093.81, 0.00391132/step Wall: 4093.81, 0.00391132/step, 1.61516 hours remaining, 113.550781 MB of memory in use. ENERGY: 1013400 657.3265 1848.3845 1964.7472 99.6087 1.0227 -1118.0598 0.0000 0.0000 2771.1029 6224.1328 306.0760 3453.0299 6256.9769 300.5191 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: 4094.59, 0.00391405/step Wall: 4094.59, 0.00391405/step, 1.61607 hours remaining, 113.550781 MB of memory in use. ENERGY: 1013600 654.3525 1899.0363 1966.0634 117.5436 1.2776 -1112.5369 0.0000 0.0000 2736.8769 6262.6134 302.2957 3525.7365 6294.5396 301.5071 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: 4095.37, 0.00390922/step Wall: 4095.37, 0.00390922/step, 1.61386 hours remaining, 113.550781 MB of memory in use. ENERGY: 1013800 658.5430 1857.0668 1948.9816 124.5737 1.3491 -1095.9194 0.0000 0.0000 2743.3781 6237.9730 303.0138 3494.5949 6271.4707 302.4374 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: 4096.16, 0.00391303/step Wall: 4096.16, 0.00391303/step, 1.61521 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1014000 655.0926 1853.7342 1929.7375 110.8340 0.9519 -1088.6774 0.0000 0.0000 2753.0790 6214.7518 304.0852 3461.6728 6246.2413 302.8519 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: 4096.94, 0.00391309/step Wall: 4096.94, 0.00391309/step, 1.61502 hours remaining, 113.550781 MB of memory in use. ENERGY: 1014200 665.0326 1844.8703 1940.4522 104.6113 -0.0239 -1089.7428 0.0000 0.0000 2715.8815 6181.0812 299.9767 3465.1998 6212.8795 301.2355 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: 4097.72, 0.0039124/step Wall: 4097.72, 0.0039124/step, 1.61452 hours remaining, 113.550781 MB of memory in use. ENERGY: 1014400 665.2518 1854.2952 1949.0912 117.3719 1.1825 -1089.8413 0.0000 0.0000 2692.1907 6189.5420 297.3600 3497.3513 6222.7005 301.9596 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: 4098.5, 0.00390896/step Wall: 4098.5, 0.00390896/step, 1.61288 hours remaining, 113.550781 MB of memory in use. ENERGY: 1014600 648.2616 1843.4210 1967.5804 108.9345 1.9700 -1095.6960 0.0000 0.0000 2713.7350 6188.2065 299.7396 3474.4715 6220.1354 300.3709 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: 4099.29, 0.00391095/step Wall: 4099.29, 0.00391095/step, 1.61348 hours remaining, 113.550781 MB of memory in use. ENERGY: 1014800 613.7524 1821.5975 1931.6144 106.3041 1.1042 -1108.2720 0.0000 0.0000 2785.6736 6151.7742 307.6854 3366.1006 6188.1682 299.7301 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: 4100.07, 0.00391223/step Wall: 4100.07, 0.00391223/step, 1.61379 hours remaining, 113.550781 MB of memory in use. ENERGY: 1015000 613.8157 1874.4929 1945.7144 102.4440 2.0857 -1095.0144 0.0000 0.0000 2727.5259 6171.0642 301.2628 3443.5383 6204.7594 300.3937 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: 4100.85, 0.00390969/step Wall: 4100.85, 0.00390969/step, 1.61253 hours remaining, 113.550781 MB of memory in use. ENERGY: 1015200 648.5697 1819.7283 1954.6924 109.4837 1.8915 -1066.9877 0.0000 0.0000 2673.8138 6141.1918 295.3302 3467.3780 6171.1346 298.5700 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: 4101.63, 0.00390972/step Wall: 4101.63, 0.00390972/step, 1.61232 hours remaining, 113.550781 MB of memory in use. ENERGY: 1015400 654.5053 1883.0595 1965.0614 90.0523 0.8682 -1118.7885 0.0000 0.0000 2670.1916 6144.9498 294.9301 3474.7582 6179.4123 297.0292 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: 4102.41, 0.00390604/step Wall: 4102.41, 0.00390604/step, 1.61059 hours remaining, 113.550781 MB of memory in use. ENERGY: 1015600 655.4540 1849.5474 1955.6959 106.5590 1.5859 -1093.6222 0.0000 0.0000 2704.1996 6179.4196 298.6864 3475.2200 6210.1879 297.8766 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: 4103.19, 0.00391135/step Wall: 4103.19, 0.00391135/step, 1.61256 hours remaining, 113.550781 MB of memory in use. ENERGY: 1015800 662.2007 1862.9787 1962.0174 109.8873 0.1801 -1117.5654 0.0000 0.0000 2679.3088 6159.0076 295.9371 3479.6988 6193.7555 298.8204 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: 4103.98, 0.0039102/step Wall: 4103.98, 0.0039102/step, 1.61187 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1016000 622.4122 1809.4636 1979.6643 107.3541 1.4083 -1092.8292 0.0000 0.0000 2727.0811 6154.5544 301.2137 3427.4733 6189.3606 299.1185 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: 4104.76, 0.00391309/step Wall: 4104.76, 0.00391309/step, 1.61285 hours remaining, 113.550781 MB of memory in use. ENERGY: 1016200 678.0271 1777.7825 1972.7428 107.2441 1.9401 -1132.0707 0.0000 0.0000 2746.5827 6152.2486 303.3677 3405.6660 6188.5388 299.0007 LDB: ============= START OF LOAD BALANCING ============== 4107.46 LDB: ============== END OF LOAD BALANCING =============== 4107.46 LDB: =============== DONE WITH MIGRATION ================ 4107.46 LDB: ============= START OF LOAD BALANCING ============== 4107.85 LDB: ============== END OF LOAD BALANCING =============== 4107.85 LDB: =============== DONE WITH MIGRATION ================ 4107.85 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: 4105.54, 0.00390982/step Wall: 4105.54, 0.00390982/step, 1.61128 hours remaining, 113.550781 MB of memory in use. ENERGY: 1016400 676.5288 1800.0306 1958.5990 92.7799 1.3131 -1081.3821 0.0000 0.0000 2687.3979 6135.2672 296.8306 3447.8693 6167.4679 297.8419 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: 4106.32, 0.00390901/step Wall: 4106.32, 0.00390901/step, 1.61073 hours remaining, 113.550781 MB of memory in use. ENERGY: 1016600 641.9313 1855.6693 1957.3532 98.2461 1.2726 -1126.6159 0.0000 0.0000 2682.6494 6110.5060 296.3061 3427.8566 6146.3356 296.3728 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: 4107.11, 0.00391032/step Wall: 4107.11, 0.00391032/step, 1.61105 hours remaining, 113.550781 MB of memory in use. ENERGY: 1016800 616.6512 1779.1853 1935.4529 114.6979 1.5788 -1070.3863 0.0000 0.0000 2726.8493 6104.0290 301.1881 3377.1797 6137.9161 296.2484 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: 4107.89, 0.00390987/step Wall: 4107.89, 0.00390987/step, 1.61065 hours remaining, 113.550781 MB of memory in use. ENERGY: 1017000 635.4853 1784.2109 1919.0721 106.2453 2.9359 -1102.1091 0.0000 0.0000 2732.6935 6078.5338 301.8336 3345.8404 6112.3838 297.0192 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: 4108.67, 0.00391381/step Wall: 4108.67, 0.00391381/step, 1.61205 hours remaining, 113.550781 MB of memory in use. ENERGY: 1017200 663.7190 1795.5842 1929.9000 108.3157 0.9021 -1095.1313 0.0000 0.0000 2686.8173 6090.1068 296.7665 3403.2896 6122.1946 295.9141 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: 4109.45, 0.00390709/step Wall: 4109.45, 0.00390708/step, 1.60907 hours remaining, 113.550781 MB of memory in use. ENERGY: 1017400 653.3053 1831.8574 1936.2395 110.7360 1.1672 -1098.8860 0.0000 0.0000 2622.3522 6056.7716 289.6461 3434.4194 6089.8035 294.2048 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: 4110.23, 0.00391233/step Wall: 4110.23, 0.00391234/step, 1.61101 hours remaining, 113.550781 MB of memory in use. ENERGY: 1017600 652.1011 1842.5555 1950.7119 108.4901 0.1160 -1131.7821 0.0000 0.0000 2704.9468 6127.1393 298.7689 3422.1925 6160.2119 295.8321 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: 4111.02, 0.00391162/step Wall: 4111.02, 0.00391162/step, 1.6105 hours remaining, 113.550781 MB of memory in use. ENERGY: 1017800 616.9289 1862.2806 1943.6974 99.2057 -0.3237 -1104.4874 0.0000 0.0000 2747.6798 6164.9812 303.4889 3417.3014 6199.4792 298.0813 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: 4111.8, 0.00391177/step Wall: 4111.8, 0.00391177/step, 1.61035 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1018000 665.2708 1882.6448 1934.8027 112.2284 0.4094 -1065.5006 0.0000 0.0000 2635.6994 6165.5549 291.1203 3529.8555 6195.5246 300.2272 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: 4112.58, 0.00390807/step Wall: 4112.58, 0.00390807/step, 1.6086 hours remaining, 113.550781 MB of memory in use. ENERGY: 1018200 652.2023 1813.6220 1944.9038 102.7713 0.7261 -1094.1090 0.0000 0.0000 2661.4149 6081.5314 293.9607 3420.1165 6113.1182 297.4581 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: 4113.36, 0.00391479/step Wall: 4113.36, 0.00391479/step, 1.61116 hours remaining, 113.550781 MB of memory in use. ENERGY: 1018400 628.3804 1777.1647 1967.7865 120.3460 2.4773 -1061.3419 0.0000 0.0000 2684.4640 6119.2770 296.5065 3434.8130 6154.3880 295.3468 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: 4114.15, 0.00391284/step Wall: 4114.15, 0.00391284/step, 1.61013 hours remaining, 113.550781 MB of memory in use. ENERGY: 1018600 609.9701 1795.5751 1943.2855 107.6962 0.9562 -1055.7108 0.0000 0.0000 2709.3068 6111.0791 299.2505 3401.7724 6145.1670 296.0104 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: 4114.93, 0.00391326/step Wall: 4114.93, 0.00391326/step, 1.61009 hours remaining, 113.550781 MB of memory in use. ENERGY: 1018800 643.8986 1834.3152 1958.2380 116.2803 0.7092 -1070.1404 0.0000 0.0000 2719.1012 6202.4021 300.3323 3483.3009 6237.1592 298.1761 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: 4115.71, 0.00391258/step Wall: 4115.71, 0.00391258/step, 1.60959 hours remaining, 113.550781 MB of memory in use. ENERGY: 1019000 647.4278 1902.0490 1947.9897 99.9146 1.0247 -1117.5367 0.0000 0.0000 2672.0276 6152.8968 295.1329 3480.8692 6179.8655 298.1509 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: 4116.49, 0.00390694/step Wall: 4116.49, 0.00390694/step, 1.60705 hours remaining, 113.550781 MB of memory in use. ENERGY: 1019200 626.7872 1871.0563 1944.4608 100.6214 0.1123 -1090.8447 0.0000 0.0000 2684.1464 6136.3397 296.4715 3452.1933 6170.1485 297.6985 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: 4117.27, 0.00391165/step Wall: 4117.27, 0.00391165/step, 1.60877 hours remaining, 113.550781 MB of memory in use. ENERGY: 1019400 650.3725 1879.8408 1947.7056 106.9384 0.7508 -1100.3289 0.0000 0.0000 2656.5252 6141.8044 293.4206 3485.2792 6174.4602 297.7099 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: 4118.06, 0.00391713/step Wall: 4118.06, 0.00391713/step, 1.61081 hours remaining, 113.550781 MB of memory in use. ENERGY: 1019600 668.7356 1861.3660 1897.9299 113.2405 0.2868 -1081.5217 0.0000 0.0000 2674.4466 6134.4837 295.4001 3460.0371 6165.7248 297.4933 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: 4118.84, 0.00391649/step Wall: 4118.84, 0.00391649/step, 1.61033 hours remaining, 113.550781 MB of memory in use. ENERGY: 1019800 604.2057 1844.5892 1948.8321 111.7634 1.1001 -1081.0516 0.0000 0.0000 2690.7338 6120.1727 297.1990 3429.4389 6152.7638 296.8840 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: 4119.62, 0.00391643/step Wall: 4119.62, 0.00391643/step, 1.61009 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1020000 657.4045 1842.8272 1931.8843 108.2949 0.7470 -1121.3560 0.0000 0.0000 2661.5257 6081.3274 293.9729 3419.8018 6114.2243 297.4098 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1020000 WRITING COORDINATES TO DCD FILE MD.1.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: 4120.45, 0.00412388/step Wall: 4120.45, 0.00412388/step, 1.69514 hours remaining, 113.550781 MB of memory in use. ENERGY: 1020200 669.4410 1828.4711 1917.1033 99.3491 0.7609 -1108.0695 0.0000 0.0000 2666.2336 6073.2896 294.4929 3407.0561 6106.3483 296.4177 LDB: ============= START OF LOAD BALANCING ============== 4123.15 LDB: ============== END OF LOAD BALANCING =============== 4123.15 LDB: =============== DONE WITH MIGRATION ================ 4123.15 LDB: ============= START OF LOAD BALANCING ============== 4123.54 LDB: ============== END OF LOAD BALANCING =============== 4123.54 LDB: =============== DONE WITH MIGRATION ================ 4123.54 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: 4121.23, 0.00392054/step Wall: 4121.23, 0.00392054/step, 1.61134 hours remaining, 113.550781 MB of memory in use. ENERGY: 1020400 628.5639 1852.4310 1956.5611 119.2925 1.2580 -1110.2942 0.0000 0.0000 2728.3453 6176.1578 301.3533 3447.8125 6210.9968 295.9011 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: 4122.02, 0.00391443/step Wall: 4122.02, 0.00391443/step, 1.60861 hours remaining, 113.550781 MB of memory in use. ENERGY: 1020600 674.4165 1856.2691 1977.6785 103.1073 0.5353 -1138.9001 0.0000 0.0000 2681.7475 6154.8539 296.2065 3473.1065 6186.5897 299.1605 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: 4122.8, 0.00391348/step Wall: 4122.8, 0.00391348/step, 1.60801 hours remaining, 113.550781 MB of memory in use. ENERGY: 1020800 635.0060 1858.7256 1959.8416 104.6161 -0.6137 -1079.7490 0.0000 0.0000 2720.3722 6198.1987 300.4727 3477.8265 6232.1872 299.2287 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: 4123.58, 0.00390709/step Wall: 4123.58, 0.00390709/step, 1.60516 hours remaining, 113.550781 MB of memory in use. ENERGY: 1021000 645.5312 1845.5266 1988.3690 126.0510 1.0794 -1092.5790 0.0000 0.0000 2723.1583 6237.1364 300.7804 3513.9781 6270.1999 301.7927 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: 4124.36, 0.00391513/step Wall: 4124.36, 0.00391513/step, 1.60825 hours remaining, 113.550781 MB of memory in use. ENERGY: 1021200 658.5787 1861.9188 1970.4340 114.5909 1.2221 -1076.7874 0.0000 0.0000 2660.7367 6190.6938 293.8858 3529.9571 6221.8756 303.7714 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: 4125.15, 0.00391467/step Wall: 4125.15, 0.00391467/step, 1.60784 hours remaining, 113.550781 MB of memory in use. ENERGY: 1021400 644.4893 1835.4660 1986.7779 122.1681 0.0848 -1117.2805 0.0000 0.0000 2670.9779 6142.6835 295.0170 3471.7056 6173.3094 298.8773 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: 4125.93, 0.00391513/step Wall: 4125.93, 0.00391513/step, 1.60781 hours remaining, 113.550781 MB of memory in use. ENERGY: 1021600 650.8422 1863.3447 1966.7701 115.1097 0.2964 -1129.0234 0.0000 0.0000 2648.9080 6116.2476 292.5793 3467.3396 6145.5646 296.9918 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: 4126.71, 0.00391461/step Wall: 4126.71, 0.00391461/step, 1.60738 hours remaining, 113.550781 MB of memory in use. ENERGY: 1021800 641.7071 1846.0966 1973.4753 107.6957 0.2141 -1140.2738 0.0000 0.0000 2726.4037 6155.3187 301.1389 3428.9150 6190.7626 296.3215 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: 4127.49, 0.00390849/step Wall: 4127.49, 0.00390849/step, 1.60465 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1022000 663.7816 1891.7750 1956.5600 97.9764 -0.6790 -1101.7881 0.0000 0.0000 2609.0541 6116.6800 288.1773 3507.6260 6146.5987 296.6504 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: 4128.28, 0.00391566/step Wall: 4128.28, 0.00391566/step, 1.60738 hours remaining, 113.550781 MB of memory in use. ENERGY: 1022200 620.5216 1860.4156 1954.2022 121.9234 0.4978 -1116.2357 0.0000 0.0000 2720.8881 6162.2131 300.5297 3441.3250 6195.5985 297.4684 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: 4129.06, 0.00391427/step Wall: 4129.06, 0.00391427/step, 1.60659 hours remaining, 113.550781 MB of memory in use. ENERGY: 1022400 633.5667 1874.4046 1954.1858 112.3553 0.4577 -1112.3451 0.0000 0.0000 2754.7840 6217.4089 304.2736 3462.6249 6250.0196 300.7273 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: 4129.84, 0.00391567/step Wall: 4129.84, 0.00391567/step, 1.60695 hours remaining, 113.550781 MB of memory in use. ENERGY: 1022600 652.9063 1876.1755 2000.4256 110.6779 0.7786 -1130.9687 0.0000 0.0000 2754.4511 6264.4464 304.2368 3509.9953 6299.3045 303.0177 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: 4130.63, 0.003909/step Wall: 4130.63, 0.003909/step, 1.60399 hours remaining, 113.550781 MB of memory in use. ENERGY: 1022800 643.0777 1808.7507 1971.2266 106.1049 0.5043 -1090.4310 0.0000 0.0000 2817.3592 6256.5926 311.1852 3439.2334 6289.4388 305.3704 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: 4131.41, 0.00391446/step Wall: 4131.41, 0.00391446/step, 1.60602 hours remaining, 113.550781 MB of memory in use. ENERGY: 1023000 667.5242 1891.7475 1973.4351 119.2674 0.7340 -1104.1745 0.0000 0.0000 2716.5828 6265.1164 300.0541 3548.5336 6297.3699 303.8476 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: 4132.19, 0.00391515/step Wall: 4132.19, 0.00391515/step, 1.60608 hours remaining, 113.550781 MB of memory in use. ENERGY: 1023200 644.0156 1866.0768 1946.1121 98.3459 0.6154 -1109.6796 0.0000 0.0000 2791.7063 6237.1926 308.3517 3445.4862 6272.1164 304.2633 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: 4132.97, 0.00391608/step Wall: 4132.97, 0.00391608/step, 1.60624 hours remaining, 113.550781 MB of memory in use. ENERGY: 1023400 663.6040 1841.1954 1950.4574 118.3386 1.5100 -1087.1923 0.0000 0.0000 2746.6271 6234.5402 303.3726 3487.9131 6266.7920 302.5878 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: 4133.76, 0.0039148/step Wall: 4133.76, 0.0039148/step, 1.6055 hours remaining, 113.550781 MB of memory in use. ENERGY: 1023600 679.6704 1874.8226 1955.0199 116.7428 0.0755 -1091.5102 0.0000 0.0000 2721.3073 6256.1282 300.5760 3534.8209 6288.0956 303.2092 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: 4134.54, 0.00390738/step Wall: 4134.54, 0.00390738/step, 1.60224 hours remaining, 113.550781 MB of memory in use. ENERGY: 1023800 668.4208 1892.9275 1964.6478 108.4298 0.0929 -1098.9131 0.0000 0.0000 2746.2587 6281.8645 303.3319 3535.6057 6317.1686 304.2332 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: 4135.32, 0.00391491/step Wall: 4135.32, 0.00391491/step, 1.60511 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1024000 664.2269 1852.9522 1946.4837 102.6143 0.3946 -1108.2246 0.0000 0.0000 2787.4977 6245.9448 307.8869 3458.4471 6281.8886 303.3450 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: 4136.1, 0.00391604/step Wall: 4136.1, 0.00391604/step, 1.60536 hours remaining, 113.550781 MB of memory in use. ENERGY: 1024200 658.0896 1836.4351 1950.7491 110.2345 1.3952 -1109.2875 0.0000 0.0000 2821.0667 6268.6826 311.5947 3447.6159 6304.3333 304.5268 LDB: ============= START OF LOAD BALANCING ============== 4138.81 LDB: ============== END OF LOAD BALANCING =============== 4138.81 LDB: =============== DONE WITH MIGRATION ================ 4138.81 LDB: ============= START OF LOAD BALANCING ============== 4139.2 LDB: ============== END OF LOAD BALANCING =============== 4139.2 LDB: =============== DONE WITH MIGRATION ================ 4139.2 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: 4136.89, 0.00392056/step Wall: 4136.89, 0.00392056/step, 1.60699 hours remaining, 113.550781 MB of memory in use. ENERGY: 1024400 640.7158 1921.0345 1948.2017 100.5976 0.3306 -1089.5924 0.0000 0.0000 2741.9275 6263.2153 302.8535 3521.2879 6294.6011 303.0999 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: 4137.67, 0.00391834/step Wall: 4137.67, 0.00391834/step, 1.60586 hours remaining, 113.550781 MB of memory in use. ENERGY: 1024600 629.2359 1862.9465 1980.1396 113.3202 2.1150 -1082.2201 0.0000 0.0000 2769.9276 6275.4646 305.9462 3505.5370 6309.7519 302.8097 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: 4138.51, 0.00418812/step Wall: 4138.51, 0.00418812/step, 1.7162 hours remaining, 113.550781 MB of memory in use. ENERGY: 1024800 638.7334 1862.5679 1962.9725 108.9940 0.0555 -1084.0714 0.0000 0.0000 2811.3651 6300.6169 310.5231 3489.2518 6335.0002 304.5787 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: 4139.29, 0.0039186/step Wall: 4139.29, 0.0039186/step, 1.60554 hours remaining, 113.550781 MB of memory in use. ENERGY: 1025000 641.8847 1863.8936 1948.4971 103.1556 0.4879 -1112.2529 0.0000 0.0000 2778.7773 6224.4433 306.9237 3445.6660 6260.1501 302.8281 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: 4140.08, 0.00391706/step Wall: 4140.08, 0.00391706/step, 1.60469 hours remaining, 113.550781 MB of memory in use. ENERGY: 1025200 657.8259 1787.4461 1988.5531 107.7475 0.5586 -1110.2788 0.0000 0.0000 2784.4308 6216.2833 307.5481 3431.8525 6251.7425 302.6175 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: 4140.86, 0.00391878/step Wall: 4140.86, 0.00391878/step, 1.60517 hours remaining, 113.550781 MB of memory in use. ENERGY: 1025400 688.7626 1827.5467 1979.1940 106.5229 0.8375 -1122.1127 0.0000 0.0000 2747.8615 6228.6124 303.5090 3480.7510 6262.9945 301.2524 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: 4141.64, 0.00390976/step Wall: 4141.64, 0.00390976/step, 1.60126 hours remaining, 113.550781 MB of memory in use. ENERGY: 1025600 658.4209 1818.2379 1967.0129 102.8856 1.9827 -1103.4938 0.0000 0.0000 2810.4538 6255.5001 310.4224 3445.0464 6289.0327 301.7722 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: 4142.43, 0.00391754/step Wall: 4142.43, 0.00391754/step, 1.60423 hours remaining, 113.550781 MB of memory in use. ENERGY: 1025800 649.6919 1907.4341 1984.9078 108.1439 0.2364 -1136.1785 0.0000 0.0000 2743.9577 6258.1932 303.0778 3514.2355 6293.2832 303.9497 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: 4143.21, 0.00391662/step Wall: 4143.21, 0.00391662/step, 1.60364 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1026000 640.4147 1880.9927 1941.1817 103.7463 1.7985 -1130.6920 0.0000 0.0000 2777.7427 6215.1846 306.8094 3437.4419 6247.7252 303.4025 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: 4143.99, 0.0039187/step Wall: 4143.99, 0.0039187/step, 1.60427 hours remaining, 113.550781 MB of memory in use. ENERGY: 1026200 698.8903 1853.1474 1977.8038 99.7610 0.5854 -1085.7531 0.0000 0.0000 2670.7944 6215.2292 294.9967 3544.4348 6245.2414 301.5541 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: 4144.78, 0.00391662/step Wall: 4144.78, 0.00391662/step, 1.6032 hours remaining, 113.550781 MB of memory in use. ENERGY: 1026400 698.1190 1868.3821 1934.6909 108.8330 -0.4738 -1113.4687 0.0000 0.0000 2756.1702 6252.2528 304.4267 3496.0826 6283.2124 301.8901 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: 4145.56, 0.00390836/step Wall: 4145.56, 0.00390836/step, 1.59961 hours remaining, 113.550781 MB of memory in use. ENERGY: 1026600 665.1649 1901.8493 1949.5808 107.3912 -0.4393 -1124.6699 0.0000 0.0000 2677.8742 6176.7512 295.7787 3498.8770 6207.6609 301.6995 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: 4146.34, 0.00391735/step Wall: 4146.34, 0.00391735/step, 1.60307 hours remaining, 113.550781 MB of memory in use. ENERGY: 1026800 633.5804 1865.7255 1971.8182 105.4181 0.3209 -1098.2193 0.0000 0.0000 2716.5512 6195.1950 300.0506 3478.6437 6228.6512 300.6055 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: 4147.13, 0.00392209/step Wall: 4147.13, 0.00392209/step, 1.60479 hours remaining, 113.550781 MB of memory in use. ENERGY: 1027000 678.1599 1863.0951 1936.2407 94.3183 0.2983 -1084.5964 0.0000 0.0000 2707.7434 6195.2593 299.0778 3487.5160 6228.2824 300.6273 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: 4147.91, 0.00391816/step Wall: 4147.91, 0.00391816/step, 1.60296 hours remaining, 113.550781 MB of memory in use. ENERGY: 1027200 619.7318 1842.6117 1986.1681 112.4175 0.2445 -1095.7011 0.0000 0.0000 2695.4476 6160.9201 297.7197 3465.4725 6194.3937 298.5019 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: 4148.69, 0.00391923/step Wall: 4148.69, 0.00391923/step, 1.60318 hours remaining, 113.550781 MB of memory in use. ENERGY: 1027400 629.7954 1845.4525 1970.8818 94.0091 0.8968 -1088.1941 0.0000 0.0000 2728.3297 6181.1711 301.3516 3452.8414 6212.8956 299.4531 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: 4149.48, 0.00390947/step Wall: 4149.48, 0.00390947/step, 1.59897 hours remaining, 113.550781 MB of memory in use. ENERGY: 1027600 634.0310 1844.9138 1966.2573 116.9533 0.2207 -1091.2735 0.0000 0.0000 2744.9439 6216.0466 303.1867 3471.1027 6249.8635 300.2503 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: 4150.26, 0.00391559/step Wall: 4150.26, 0.00391559/step, 1.60126 hours remaining, 113.550781 MB of memory in use. ENERGY: 1027800 640.3983 1879.3159 1985.7312 111.8463 1.1609 -1117.0883 0.0000 0.0000 2774.2702 6275.6347 306.4259 3501.3645 6309.3027 302.3419 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: 4151.04, 0.00391508/step Wall: 4151.04, 0.00391508/step, 1.60083 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1028000 642.4840 1883.3522 2006.6915 112.6927 1.0698 -1117.2372 0.0000 0.0000 2683.1823 6212.2353 296.3650 3529.0530 6244.6324 301.5914 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: 4151.83, 0.00391521/step Wall: 4151.83, 0.00391521/step, 1.60067 hours remaining, 113.550781 MB of memory in use. ENERGY: 1028200 653.9930 1801.2600 1962.7239 103.7887 0.9527 -1083.3269 0.0000 0.0000 2721.2376 6160.6290 300.5683 3439.3913 6193.8891 300.2431 LDB: ============= START OF LOAD BALANCING ============== 4154.53 LDB: ============== END OF LOAD BALANCING =============== 4154.53 LDB: =============== DONE WITH MIGRATION ================ 4154.53 LDB: ============= START OF LOAD BALANCING ============== 4154.92 LDB: ============== END OF LOAD BALANCING =============== 4154.92 LDB: =============== DONE WITH MIGRATION ================ 4154.92 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: 4152.61, 0.00391379/step Wall: 4152.61, 0.00391379/step, 1.59987 hours remaining, 113.550781 MB of memory in use. ENERGY: 1028400 650.7227 1859.6297 1946.8619 96.6783 0.8573 -1114.1006 0.0000 0.0000 2696.5253 6137.1746 297.8387 3440.6493 6169.6112 296.8765 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: 4153.39, 0.00391567/step Wall: 4153.39, 0.00391567/step, 1.60042 hours remaining, 113.550781 MB of memory in use. ENERGY: 1028600 656.7316 1797.7947 2008.8047 118.0374 1.0392 -1106.7389 0.0000 0.0000 2707.4231 6183.0918 299.0424 3475.6687 6218.0832 297.7830 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: 4154.17, 0.00391468/step Wall: 4154.17, 0.00391468/step, 1.5998 hours remaining, 113.550781 MB of memory in use. ENERGY: 1028800 631.0122 1847.6436 2003.7546 92.5256 1.8844 -1099.5566 0.0000 0.0000 2737.9249 6215.1888 302.4114 3477.2639 6247.7824 299.0529 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: 4154.96, 0.00391568/step Wall: 4154.96, 0.00391568/step, 1.59999 hours remaining, 113.550781 MB of memory in use. ENERGY: 1029000 689.0043 1807.5171 1996.4945 107.4615 1.2377 -1095.6590 0.0000 0.0000 2684.2553 6190.3114 296.4835 3506.0561 6222.0657 299.7321 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: 4155.74, 0.00391569/step Wall: 4155.74, 0.00391569/step, 1.59978 hours remaining, 113.550781 MB of memory in use. ENERGY: 1029200 658.3821 1863.8221 1969.7016 94.3626 0.3714 -1095.1929 0.0000 0.0000 2631.5711 6123.0180 290.6644 3491.4469 6156.6465 297.4848 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: 4156.52, 0.00390839/step Wall: 4156.52, 0.00390839/step, 1.59658 hours remaining, 113.550781 MB of memory in use. ENERGY: 1029400 636.4852 1838.3739 1966.0843 87.9265 1.3025 -1079.8169 0.0000 0.0000 2712.9627 6163.3181 299.6543 3450.3554 6196.8024 296.3247 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: 4157.31, 0.00391526/step Wall: 4157.31, 0.00391526/step, 1.59916 hours remaining, 113.550781 MB of memory in use. ENERGY: 1029600 620.3047 1932.9888 1938.5890 99.0825 1.9721 -1121.3022 0.0000 0.0000 2669.3367 6140.9717 294.8357 3471.6350 6171.8627 297.3123 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: 4158.09, 0.00392043/step Wall: 4158.09, 0.00392043/step, 1.60106 hours remaining, 113.550781 MB of memory in use. ENERGY: 1029800 635.0008 1827.5135 1959.0121 104.5879 1.0695 -1104.0230 0.0000 0.0000 2731.8559 6155.0167 301.7411 3423.1609 6189.2823 297.2301 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: 4158.87, 0.00391615/step Wall: 4158.87, 0.00391615/step, 1.5991 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1030000 658.8825 1809.9963 1977.9316 100.7644 0.6546 -1115.8543 0.0000 0.0000 2707.7691 6140.1441 299.0806 3432.3750 6173.9536 297.9459 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1030000 WRITING COORDINATES TO DCD FILE MD.1.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: 4159.7, 0.00415744/step Wall: 4159.7, 0.00415744/step, 1.69739 hours remaining, 113.550781 MB of memory in use. ENERGY: 1030200 676.8222 1840.7704 1963.8354 105.0472 1.5823 -1129.5658 0.0000 0.0000 2675.5118 6134.0035 295.5177 3458.4917 6167.2532 295.9291 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: 4160.49, 0.00390913/step Wall: 4160.49, 0.00390913/step, 1.59579 hours remaining, 113.550781 MB of memory in use. ENERGY: 1030400 663.6544 1850.4099 1961.2202 94.7421 0.7044 -1069.8513 0.0000 0.0000 2651.3821 6152.2619 292.8525 3500.8798 6182.2465 295.0353 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: 4161.27, 0.00391252/step Wall: 4161.27, 0.00391252/step, 1.59696 hours remaining, 113.550781 MB of memory in use. ENERGY: 1030600 675.6266 1845.2693 1950.2616 101.8863 0.7926 -1070.3583 0.0000 0.0000 2659.3238 6162.8020 293.7297 3503.4782 6194.4258 297.2384 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: 4162.05, 0.00391276/step Wall: 4162.05, 0.00391276/step, 1.59684 hours remaining, 113.550781 MB of memory in use. ENERGY: 1030800 666.1994 1876.3207 1937.2667 102.7928 1.1058 -1096.9049 0.0000 0.0000 2693.9988 6180.7793 297.5597 3486.7805 6214.5818 298.8111 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: 4162.83, 0.00391433/step Wall: 4162.83, 0.00391433/step, 1.59726 hours remaining, 113.550781 MB of memory in use. ENERGY: 1031000 652.1471 1837.3769 1965.6312 106.3333 -0.2371 -1108.3241 0.0000 0.0000 2706.9515 6159.8788 298.9903 3452.9274 6192.0225 298.8663 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: 4163.61, 0.00390617/step Wall: 4163.61, 0.00390617/step, 1.59372 hours remaining, 113.550781 MB of memory in use. ENERGY: 1031200 643.1826 1867.0990 1964.1725 111.7573 -0.4077 -1092.6580 0.0000 0.0000 2682.1571 6175.3028 296.2517 3493.1457 6209.2190 298.9848 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: 4164.4, 0.00391332/step Wall: 4164.4, 0.00391332/step, 1.59642 hours remaining, 113.550781 MB of memory in use. ENERGY: 1031400 647.7643 1907.0065 1925.4318 104.8455 0.1748 -1119.4514 0.0000 0.0000 2735.2668 6201.0382 302.1178 3465.7714 6232.9817 301.2254 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: 4165.18, 0.00391282/step Wall: 4165.18, 0.00391282/step, 1.596 hours remaining, 113.550781 MB of memory in use. ENERGY: 1031600 678.3612 1900.6731 1962.4951 112.2516 0.9469 -1116.5641 0.0000 0.0000 2711.1979 6249.3617 299.4594 3538.1639 6283.7099 302.4251 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: 4165.96, 0.00391346/step Wall: 4165.96, 0.00391346/step, 1.59604 hours remaining, 113.550781 MB of memory in use. ENERGY: 1031800 674.6795 1884.7566 1973.5133 101.3429 2.1559 -1108.9703 0.0000 0.0000 2758.1584 6285.6363 304.6463 3527.4779 6319.0936 303.6109 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: 4166.75, 0.00391354/step Wall: 4166.75, 0.00391354/step, 1.59585 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1032000 649.3902 1915.6396 1965.5873 112.1427 0.4304 -1110.0993 0.0000 0.0000 2769.7666 6302.8575 305.9284 3533.0909 6338.0434 305.6524 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: 4167.53, 0.00390894/step Wall: 4167.53, 0.00390894/step, 1.59376 hours remaining, 113.550781 MB of memory in use. ENERGY: 1032200 635.7584 1970.9947 1913.7157 116.4575 -0.1561 -1072.1520 0.0000 0.0000 2725.0516 6289.6697 300.9895 3564.6181 6323.6997 306.3599 LDB: ============= START OF LOAD BALANCING ============== 4170.23 LDB: ============== END OF LOAD BALANCING =============== 4170.23 LDB: =============== DONE WITH MIGRATION ================ 4170.23 LDB: ============= START OF LOAD BALANCING ============== 4170.62 LDB: ============== END OF LOAD BALANCING =============== 4170.62 LDB: =============== DONE WITH MIGRATION ================ 4170.62 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: 4168.31, 0.00391669/step Wall: 4168.31, 0.00391669/step, 1.5967 hours remaining, 113.550781 MB of memory in use. ENERGY: 1032400 717.1283 1857.0904 1993.1207 98.0305 0.3946 -1132.0302 0.0000 0.0000 2712.2071 6245.9414 299.5708 3533.7343 6277.6927 304.0850 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: 4169.09, 0.0039099/step Wall: 4169.09, 0.0039099/step, 1.59372 hours remaining, 113.550781 MB of memory in use. ENERGY: 1032600 656.8478 1866.5890 1965.1379 111.5792 1.3874 -1112.9593 0.0000 0.0000 2768.1504 6256.7325 305.7499 3488.5821 6291.4793 301.8956 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: 4169.87, 0.00391187/step Wall: 4169.87, 0.00391187/step, 1.5943 hours remaining, 113.550781 MB of memory in use. ENERGY: 1032800 672.7548 1863.6878 1965.8985 107.4165 1.4987 -1094.9564 0.0000 0.0000 2795.2487 6311.5486 308.7430 3516.2999 6347.6782 304.7375 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: 4170.66, 0.00390603/step Wall: 4170.66, 0.00390603/step, 1.59171 hours remaining, 113.550781 MB of memory in use. ENERGY: 1033000 652.9864 1859.7823 1981.3231 106.2986 1.6012 -1097.2910 0.0000 0.0000 2777.0381 6281.7386 306.7316 3504.7005 6316.7529 305.9062 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: 4171.44, 0.00391029/step Wall: 4171.44, 0.00391029/step, 1.59323 hours remaining, 113.550781 MB of memory in use. ENERGY: 1033200 673.8745 1915.3065 1997.2693 104.7580 1.4665 -1101.7775 0.0000 0.0000 2724.7524 6315.6497 300.9565 3590.8973 6346.4021 305.4121 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: 4172.22, 0.00390988/step Wall: 4172.22, 0.00390988/step, 1.59284 hours remaining, 113.550781 MB of memory in use. ENERGY: 1033400 614.1620 1894.2229 1967.6356 106.2099 1.0676 -1093.4809 0.0000 0.0000 2806.3363 6296.1533 309.9677 3489.8171 6333.7890 307.5108 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: 4173, 0.00390985/step Wall: 4173, 0.00390985/step, 1.59261 hours remaining, 113.550781 MB of memory in use. ENERGY: 1033600 624.4354 1865.6892 1953.3008 115.5118 1.1212 -1089.1041 0.0000 0.0000 2761.8486 6232.8028 305.0539 3470.9542 6268.3718 304.2380 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: 4175.48, 0.0124013/step Wall: 4175.48, 0.0124013/step, 5.05077 hours remaining, 113.550781 MB of memory in use. ENERGY: 1033800 667.2722 1926.9269 1972.1843 105.0901 0.0308 -1114.0220 0.0000 0.0000 2700.1624 6257.6447 298.2405 3557.4823 6292.0559 302.1072 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: 4176.27, 0.00393428/step Wall: 4176.27, 0.00393428/step, 1.60213 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1034000 682.7744 1855.0689 1935.8180 107.6021 0.1741 -1119.0467 0.0000 0.0000 2737.0590 6199.4498 302.3158 3462.3908 6232.5412 300.9994 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: 4177.05, 0.00391164/step Wall: 4177.05, 0.00391164/step, 1.59269 hours remaining, 113.550781 MB of memory in use. ENERGY: 1034200 645.0808 1861.1585 1950.9531 107.2752 0.2292 -1110.7991 0.0000 0.0000 2738.0731 6191.9709 302.4278 3453.8978 6226.0783 299.4896 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: 4177.83, 0.00391209/step Wall: 4177.83, 0.00391209/step, 1.59266 hours remaining, 113.550781 MB of memory in use. ENERGY: 1034400 674.9109 1839.5935 1972.2434 101.8985 0.9665 -1091.4486 0.0000 0.0000 2672.3388 6170.5031 295.1673 3498.1643 6202.5797 299.1706 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: 4178.62, 0.00390683/step Wall: 4178.62, 0.00390683/step, 1.5903 hours remaining, 113.550781 MB of memory in use. ENERGY: 1034600 635.6997 1881.9823 1944.5911 105.1867 0.3332 -1085.6955 0.0000 0.0000 2732.2676 6214.3651 301.7866 3482.0976 6246.3055 299.4319 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: 4179.4, 0.00391/step Wall: 4179.4, 0.00391/step, 1.59137 hours remaining, 113.550781 MB of memory in use. ENERGY: 1034800 669.8133 1833.2915 1959.3492 102.9988 1.5179 -1092.0826 0.0000 0.0000 2767.6626 6242.5506 305.6960 3474.8880 6278.1526 302.8185 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: 4180.18, 0.00391198/step Wall: 4180.18, 0.00391197/step, 1.59196 hours remaining, 113.550781 MB of memory in use. ENERGY: 1035000 665.5664 1837.8356 1932.5346 100.6734 0.8071 -1101.2169 0.0000 0.0000 2764.2332 6200.4334 305.3173 3436.2002 6234.4407 301.7587 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: 4180.96, 0.00391223/step Wall: 4180.96, 0.00391224/step, 1.59185 hours remaining, 113.550781 MB of memory in use. ENERGY: 1035200 683.5326 1831.0979 1982.2455 109.7696 0.6246 -1084.6340 0.0000 0.0000 2709.4698 6232.1061 299.2685 3522.6363 6262.7861 301.7579 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: 4181.74, 0.003912/step Wall: 4181.74, 0.003912/step, 1.59153 hours remaining, 113.550781 MB of memory in use. ENERGY: 1035400 679.9513 1815.0432 1967.8175 100.6736 2.0186 -1106.9112 0.0000 0.0000 2723.6822 6182.2752 300.8383 3458.5929 6215.0508 299.5769 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: 4182.53, 0.00390675/step Wall: 4182.53, 0.00390674/step, 1.58918 hours remaining, 113.550781 MB of memory in use. ENERGY: 1035600 652.4511 1865.8095 1968.4488 113.4947 0.4979 -1100.1320 0.0000 0.0000 2708.5537 6209.1237 299.1673 3500.5700 6241.6818 300.6545 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: 4183.31, 0.00390916/step Wall: 4183.31, 0.00390916/step, 1.58994 hours remaining, 113.550781 MB of memory in use. ENERGY: 1035800 647.6771 1858.0717 1995.3746 104.2131 0.4157 -1131.2071 0.0000 0.0000 2699.9266 6174.4717 298.2144 3474.5451 6205.7017 298.7244 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: 4184.09, 0.00391005/step Wall: 4184.09, 0.00391005/step, 1.59009 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1036000 646.7772 1820.9721 1968.0900 104.7833 1.1892 -1112.1312 0.0000 0.0000 2707.6107 6137.2913 299.0631 3429.6806 6172.5874 299.8930 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: 4184.87, 0.00391154/step Wall: 4184.87, 0.00391154/step, 1.59048 hours remaining, 113.550781 MB of memory in use. ENERGY: 1036200 632.8383 1796.7337 1968.3730 115.9541 0.1738 -1098.7807 0.0000 0.0000 2685.5647 6100.8569 296.6281 3415.2922 6133.1971 297.6454 LDB: ============= START OF LOAD BALANCING ============== 4187.57 LDB: ============== END OF LOAD BALANCING =============== 4187.57 LDB: =============== DONE WITH MIGRATION ================ 4187.57 LDB: ============= START OF LOAD BALANCING ============== 4187.96 LDB: ============== END OF LOAD BALANCING =============== 4187.96 LDB: =============== DONE WITH MIGRATION ================ 4187.96 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: 4185.65, 0.00391012/step Wall: 4185.65, 0.00391012/step, 1.58968 hours remaining, 113.550781 MB of memory in use. ENERGY: 1036400 712.6037 1829.7456 1943.6875 100.3435 -0.4029 -1117.8233 0.0000 0.0000 2664.6375 6132.7915 294.3166 3468.1540 6161.0312 295.2759 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: 4186.44, 0.00391035/step Wall: 4186.44, 0.00391035/step, 1.58956 hours remaining, 113.550781 MB of memory in use. ENERGY: 1036600 673.2674 1856.9210 1954.6126 104.2573 0.4898 -1111.6559 0.0000 0.0000 2698.7514 6176.6436 298.0846 3477.8922 6207.4296 298.3279 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: 4187.22, 0.00390844/step Wall: 4187.22, 0.00390844/step, 1.58857 hours remaining, 113.550781 MB of memory in use. ENERGY: 1036800 640.8521 1824.9861 1958.6543 108.5752 -0.4489 -1081.9001 0.0000 0.0000 2718.5710 6169.2896 300.2737 3450.7186 6200.7681 298.8490 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: 4188, 0.00390949/step Wall: 4188, 0.00390949/step, 1.58878 hours remaining, 113.550781 MB of memory in use. ENERGY: 1037000 632.8338 1878.5100 1962.4160 118.4737 -0.1836 -1099.1171 0.0000 0.0000 2694.5814 6187.5143 297.6240 3492.9328 6217.4674 300.0709 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: 4188.78, 0.00391206/step Wall: 4188.78, 0.00391206/step, 1.5896 hours remaining, 113.550781 MB of memory in use. ENERGY: 1037200 676.8102 1877.2515 1939.8791 100.0458 1.0323 -1109.3062 0.0000 0.0000 2711.4209 6197.1336 299.4840 3485.7127 6229.2045 300.2997 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: 4189.56, 0.00390504/step Wall: 4189.56, 0.00390504/step, 1.58653 hours remaining, 113.550781 MB of memory in use. ENERGY: 1037400 677.9388 1895.4685 1967.8445 107.0823 -0.2917 -1091.3137 0.0000 0.0000 2683.0350 6239.7636 296.3487 3556.7287 6271.4671 300.7486 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: 4190.34, 0.00390852/step Wall: 4190.34, 0.00390852/step, 1.58773 hours remaining, 113.550781 MB of memory in use. ENERGY: 1037600 647.0684 1834.6253 1963.1457 107.7166 0.4180 -1103.4041 0.0000 0.0000 2702.3320 6151.9019 298.4801 3449.5699 6185.5890 300.9358 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: 4191.13, 0.00390994/step Wall: 4191.13, 0.00390994/step, 1.58809 hours remaining, 113.550781 MB of memory in use. ENERGY: 1037800 674.6875 1851.2161 1952.2404 103.0676 1.1511 -1092.1276 0.0000 0.0000 2696.4789 6186.7141 297.8336 3490.2352 6217.8413 298.5213 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: 4191.91, 0.00390973/step Wall: 4191.91, 0.00390973/step, 1.58779 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1038000 664.8493 1870.2103 1931.5396 108.8706 0.0133 -1086.6027 0.0000 0.0000 2711.3620 6200.2424 299.4775 3488.8804 6229.8512 298.3047 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: 4192.69, 0.00390402/step Wall: 4192.69, 0.00390402/step, 1.58525 hours remaining, 113.550781 MB of memory in use. ENERGY: 1038200 626.4310 1833.0251 1948.4445 109.8358 1.3114 -1089.4802 0.0000 0.0000 2765.4005 6194.9681 305.4462 3429.5676 6230.9578 300.4527 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: 4193.47, 0.00391116/step Wall: 4193.47, 0.00391116/step, 1.58793 hours remaining, 113.550781 MB of memory in use. ENERGY: 1038400 642.1012 1897.2424 1961.0386 99.5408 1.9146 -1107.9216 0.0000 0.0000 2739.9463 6233.8623 302.6347 3493.9160 6267.4818 302.4558 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: 4194.25, 0.00390862/step Wall: 4194.25, 0.00390862/step, 1.58668 hours remaining, 113.550781 MB of memory in use. ENERGY: 1038600 623.5825 1835.8262 1994.4886 111.2717 0.8361 -1066.1888 0.0000 0.0000 2770.5599 6270.3763 306.0161 3499.8163 6305.3710 303.6927 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: 4195.04, 0.00390981/step Wall: 4195.04, 0.00390981/step, 1.58695 hours remaining, 113.550781 MB of memory in use. ENERGY: 1038800 632.8181 1854.2576 1978.3333 97.7260 1.3161 -1083.4435 0.0000 0.0000 2710.7590 6191.7665 299.4109 3481.0076 6223.0004 301.9531 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: 4195.82, 0.00390941/step Wall: 4195.82, 0.00390941/step, 1.58657 hours remaining, 113.550781 MB of memory in use. ENERGY: 1039000 625.1590 1857.8641 1987.4673 108.7161 0.6094 -1065.5730 0.0000 0.0000 2693.8592 6208.1021 297.5443 3514.2429 6242.9749 299.4972 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: 4196.6, 0.00390662/step Wall: 4196.6, 0.00390662/step, 1.58522 hours remaining, 113.550781 MB of memory in use. ENERGY: 1039200 645.4834 1831.5794 1945.2181 109.0029 1.0348 -1097.3697 0.0000 0.0000 2771.6151 6206.5640 306.1326 3434.9489 6242.5630 300.8608 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: 4197.38, 0.00390946/step Wall: 4197.38, 0.00390946/step, 1.58615 hours remaining, 113.550781 MB of memory in use. ENERGY: 1039400 633.5338 1825.2899 1945.1274 101.7846 0.0253 -1077.6909 0.0000 0.0000 2758.7428 6186.8129 304.7108 3428.0701 6219.3217 301.6879 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: 4198.17, 0.0039242/step Wall: 4198.17, 0.00392419/step, 1.59191 hours remaining, 113.550781 MB of memory in use. ENERGY: 1039600 639.4091 1917.8462 1975.8914 114.4843 0.7281 -1119.1027 0.0000 0.0000 2711.4389 6240.6952 299.4860 3529.2563 6270.9184 301.7220 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: 4198.95, 0.00391168/step Wall: 4198.95, 0.00391168/step, 1.58662 hours remaining, 113.550781 MB of memory in use. ENERGY: 1039800 614.8709 1864.3415 1969.2597 105.2200 1.8107 -1055.7262 0.0000 0.0000 2739.3326 6239.1092 302.5669 3499.7766 6274.4146 303.6816 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: 4199.73, 0.00390566/step Wall: 4199.73, 0.00390566/step, 1.58396 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1040000 672.4138 1899.8253 1948.6944 103.7614 -0.1612 -1097.6971 0.0000 0.0000 2709.0698 6235.9065 299.2243 3526.8367 6270.7356 302.3397 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1040000 WRITING COORDINATES TO DCD FILE MD.1.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: 4201.52, 0.00897229/step Wall: 4201.52, 0.00897229/step, 3.63826 hours remaining, 113.550781 MB of memory in use. ENERGY: 1040200 666.7328 1823.9104 1923.2431 117.0371 1.3639 -1053.4704 0.0000 0.0000 2698.9082 6177.7250 298.1019 3478.8168 6211.3207 301.4252 LDB: ============= START OF LOAD BALANCING ============== 4204.23 LDB: ============== END OF LOAD BALANCING =============== 4204.23 LDB: =============== DONE WITH MIGRATION ================ 4204.23 LDB: ============= START OF LOAD BALANCING ============== 4204.62 LDB: ============== END OF LOAD BALANCING =============== 4204.62 LDB: =============== DONE WITH MIGRATION ================ 4204.62 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: 4202.31, 0.00392674/step Wall: 4202.31, 0.00392674/step, 1.59208 hours remaining, 113.550781 MB of memory in use. ENERGY: 1040400 673.1500 1856.5457 1971.1826 100.7403 0.5748 -1106.1668 0.0000 0.0000 2720.3389 6216.3655 300.4690 3496.0266 6251.6910 298.9988 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: 4203.09, 0.00391312/step Wall: 4203.09, 0.00391312/step, 1.58634 hours remaining, 113.550781 MB of memory in use. ENERGY: 1040600 656.2479 1807.1739 1960.0504 95.3125 1.7847 -1095.0632 0.0000 0.0000 2770.5950 6196.1012 306.0199 3425.5062 6230.7551 300.9848 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: 4203.87, 0.0039108/step Wall: 4203.87, 0.0039108/step, 1.58518 hours remaining, 113.550781 MB of memory in use. ENERGY: 1040800 670.2967 1825.3915 1967.9930 109.6952 3.2689 -1124.1992 0.0000 0.0000 2720.6808 6173.1268 300.5068 3452.4461 6207.2037 300.0689 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: 4204.65, 0.00390553/step Wall: 4204.65, 0.00390553/step, 1.58282 hours remaining, 113.550781 MB of memory in use. ENERGY: 1041000 652.0014 1831.6945 1977.7291 105.7776 1.2186 -1071.8472 0.0000 0.0000 2687.9695 6184.5435 296.8937 3496.5740 6214.5841 298.7950 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: 4205.44, 0.00391096/step Wall: 4205.44, 0.00391096/step, 1.58481 hours remaining, 113.550781 MB of memory in use. ENERGY: 1041200 647.3677 1806.9570 2002.8624 106.1569 1.6660 -1098.7105 0.0000 0.0000 2722.9864 6189.2859 300.7614 3466.2994 6221.9743 298.2106 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: 4206.22, 0.00390962/step Wall: 4206.22, 0.00390962/step, 1.58405 hours remaining, 113.550781 MB of memory in use. ENERGY: 1041400 665.5594 1854.9835 1959.7055 107.8380 1.7925 -1093.5676 0.0000 0.0000 2654.6087 6150.9199 293.2089 3496.3112 6181.2937 299.7032 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: 4207, 0.00392893/step Wall: 4207, 0.00392893/step, 1.59165 hours remaining, 113.550781 MB of memory in use. ENERGY: 1041600 648.8259 1802.6094 1971.5284 98.7889 1.1313 -1091.3808 0.0000 0.0000 2626.5606 6058.0636 290.1109 3431.5031 6092.1291 295.2659 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: 4207.79, 0.00391461/step Wall: 4207.79, 0.00391461/step, 1.58563 hours remaining, 113.550781 MB of memory in use. ENERGY: 1041800 617.9321 1845.9783 1940.5835 107.9134 3.5108 -1118.0487 0.0000 0.0000 2623.9388 6021.8081 289.8213 3397.8693 6053.8674 292.4127 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: 4209.86, 0.0103756/step Wall: 4209.86, 0.0103756/step, 4.2021 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1042000 628.7110 1780.8112 1955.9503 101.1367 3.3551 -1079.2315 0.0000 0.0000 2643.8555 6034.5882 292.0212 3390.7326 6066.5189 291.6073 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: 4210.65, 0.00392865/step Wall: 4210.65, 0.00392865/step, 1.59088 hours remaining, 113.550781 MB of memory in use. ENERGY: 1042200 634.0643 1798.9204 1977.6108 104.9538 1.3295 -1098.2739 0.0000 0.0000 2694.0679 6112.6729 297.5673 3418.6049 6147.5173 294.7897 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: 4211.43, 0.00390985/step Wall: 4211.43, 0.00390985/step, 1.58305 hours remaining, 113.550781 MB of memory in use. ENERGY: 1042400 624.2965 1853.0773 1996.6348 98.6272 1.6865 -1086.3657 0.0000 0.0000 2610.3668 6098.3233 288.3223 3487.9565 6127.6166 294.5888 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: 4212.21, 0.00391187/step Wall: 4212.21, 0.00391187/step, 1.58366 hours remaining, 113.550781 MB of memory in use. ENERGY: 1042600 693.2505 1826.6382 1933.9976 104.9090 2.8859 -1123.6703 0.0000 0.0000 2661.2067 6099.2176 293.9377 3438.0109 6130.7589 294.4542 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: 4213, 0.00391471/step Wall: 4213, 0.00391471/step, 1.58459 hours remaining, 113.550781 MB of memory in use. ENERGY: 1042800 651.5630 1845.2297 1936.5433 101.8716 1.2159 -1085.4687 0.0000 0.0000 2695.4517 6146.4066 297.7202 3450.9548 6178.4179 294.7957 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: 4213.78, 0.00390393/step Wall: 4213.78, 0.00390393/step, 1.58001 hours remaining, 113.550781 MB of memory in use. ENERGY: 1043000 676.0258 1852.4058 1908.2558 100.2312 1.0108 -1084.6763 0.0000 0.0000 2668.2245 6121.4776 294.7128 3453.2531 6153.6698 296.6598 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: 4214.56, 0.00391208/step Wall: 4214.56, 0.00391208/step, 1.58309 hours remaining, 113.550781 MB of memory in use. ENERGY: 1043200 671.7946 1782.0876 1958.9623 105.7747 2.9587 -1073.8786 0.0000 0.0000 2704.8785 6152.5779 298.7614 3447.6994 6189.0650 296.9344 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: 4215.34, 0.00391032/step Wall: 4215.34, 0.00391032/step, 1.58216 hours remaining, 113.550781 MB of memory in use. ENERGY: 1043400 668.8980 1853.2365 1947.0107 106.0671 0.7070 -1135.3486 0.0000 0.0000 2697.3557 6137.9263 297.9304 3440.5706 6169.9159 299.2925 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: 4216.12, 0.00391066/step Wall: 4216.12, 0.00391066/step, 1.58208 hours remaining, 113.550781 MB of memory in use. ENERGY: 1043600 670.1109 1830.3914 1965.1074 119.3888 0.5787 -1102.4597 0.0000 0.0000 2671.6115 6154.7289 295.0869 3483.1174 6186.6256 296.5281 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: 4216.91, 0.00391122/step Wall: 4216.91, 0.00391122/step, 1.58209 hours remaining, 113.550781 MB of memory in use. ENERGY: 1043800 641.1290 1833.0574 1963.6275 112.1636 1.9103 -1115.1143 0.0000 0.0000 2650.5746 6087.3481 292.7633 3436.7735 6118.5079 295.4629 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: 4217.69, 0.00390438/step Wall: 4217.69, 0.00390438/step, 1.57911 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1044000 616.8625 1843.0135 1945.2447 104.9582 1.4582 -1107.2390 0.0000 0.0000 2688.9749 6093.2728 297.0048 3404.2980 6126.8160 293.7899 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: 4218.47, 0.00391201/step Wall: 4218.47, 0.00391201/step, 1.58197 hours remaining, 113.550781 MB of memory in use. ENERGY: 1044200 635.0222 1877.3659 1931.8214 99.9896 0.7169 -1138.8893 0.0000 0.0000 2692.8013 6098.8282 297.4274 3406.0268 6132.2898 294.3708 LDB: ============= START OF LOAD BALANCING ============== 4221.17 LDB: ============== END OF LOAD BALANCING =============== 4221.17 LDB: =============== DONE WITH MIGRATION ================ 4221.17 LDB: ============= START OF LOAD BALANCING ============== 4221.56 LDB: ============== END OF LOAD BALANCING =============== 4221.56 LDB: =============== DONE WITH MIGRATION ================ 4221.56 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: 4219.25, 0.00391501/step Wall: 4219.25, 0.00391501/step, 1.58297 hours remaining, 113.550781 MB of memory in use. ENERGY: 1044400 646.4840 1846.1940 1944.1335 114.5486 0.7764 -1122.1610 0.0000 0.0000 2655.3547 6085.3302 293.2913 3429.9755 6117.5605 294.4797 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: 4220.03, 0.00391161/step Wall: 4220.03, 0.00391161/step, 1.58138 hours remaining, 113.550781 MB of memory in use. ENERGY: 1044600 652.3388 1851.7317 1955.6344 111.0224 0.9533 -1077.1989 0.0000 0.0000 2616.8771 6111.3588 289.0414 3494.4817 6142.0936 293.6713 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: 4220.82, 0.00391163/step Wall: 4220.82, 0.00391163/step, 1.58117 hours remaining, 113.550781 MB of memory in use. ENERGY: 1044800 616.0748 1821.3339 1967.9613 109.7148 0.3525 -1107.3461 0.0000 0.0000 2727.9743 6136.0655 301.3124 3408.0912 6168.8823 296.0145 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: 4221.6, 0.00390432/step Wall: 4221.6, 0.00390432/step, 1.578 hours remaining, 113.550781 MB of memory in use. ENERGY: 1045000 676.6783 1827.8408 1952.2818 111.2525 0.4453 -1123.7902 0.0000 0.0000 2649.1657 6093.8743 292.6077 3444.7086 6126.5072 296.9115 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: 4222.38, 0.0039108/step Wall: 4222.38, 0.0039108/step, 1.5804 hours remaining, 113.550781 MB of memory in use. ENERGY: 1045200 626.9534 1880.8987 1958.5426 106.6005 0.8593 -1078.8275 0.0000 0.0000 2624.0431 6119.0700 289.8329 3495.0269 6146.7638 295.3949 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: 4223.16, 0.0039097/step Wall: 4223.16, 0.0039097/step, 1.57974 hours remaining, 113.550781 MB of memory in use. ENERGY: 1045400 656.5342 1796.6024 1985.8484 107.1772 -0.4595 -1088.3493 0.0000 0.0000 2657.0576 6114.4109 293.4794 3457.3534 6146.3436 296.1784 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: 4223.94, 0.00391073/step Wall: 4223.94, 0.00391073/step, 1.57994 hours remaining, 113.550781 MB of memory in use. ENERGY: 1045600 606.0211 1883.7717 1978.1512 101.5058 1.1935 -1093.2123 0.0000 0.0000 2660.8997 6138.3307 293.9038 3477.4311 6169.3133 297.9447 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: 4224.72, 0.00390492/step Wall: 4224.72, 0.00390492/step, 1.57737 hours remaining, 113.550781 MB of memory in use. ENERGY: 1045800 658.6819 1818.3609 1924.5677 103.5665 0.8621 -1113.8159 0.0000 0.0000 2691.0176 6083.2408 297.2304 3392.2232 6118.2886 294.5043 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: 4225.51, 0.00391147/step Wall: 4225.51, 0.00391147/step, 1.5798 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1046000 651.1513 1855.3036 1957.0501 103.8270 0.2919 -1130.8079 0.0000 0.0000 2642.0555 6078.8716 291.8224 3436.8161 6109.8701 293.9482 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: 4226.29, 0.00391042/step Wall: 4226.29, 0.00391042/step, 1.57916 hours remaining, 113.550781 MB of memory in use. ENERGY: 1046200 655.5928 1832.6803 1945.9521 100.3912 1.9120 -1144.6764 0.0000 0.0000 2687.8168 6079.6688 296.8769 3391.8519 6112.3250 293.5460 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: 4227.07, 0.00391339/step Wall: 4227.07, 0.00391339/step, 1.58014 hours remaining, 113.550781 MB of memory in use. ENERGY: 1046400 642.7749 1857.7197 1940.9716 112.6224 0.5728 -1116.2452 0.0000 0.0000 2674.0433 6112.4595 295.3555 3438.4162 6144.2290 293.2620 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: 4227.85, 0.00391154/step Wall: 4227.85, 0.00391154/step, 1.57917 hours remaining, 113.550781 MB of memory in use. ENERGY: 1046600 663.3306 1818.0926 1924.3211 108.6057 0.7611 -1104.5061 0.0000 0.0000 2658.6742 6069.2792 293.6580 3410.6051 6101.2842 293.6562 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: 4228.63, 0.00390564/step Wall: 4228.63, 0.00390564/step, 1.57658 hours remaining, 113.550781 MB of memory in use. ENERGY: 1046800 659.1176 1792.2829 1964.5640 111.7040 0.5951 -1121.4527 0.0000 0.0000 2653.3909 6060.2020 293.0744 3406.8110 6094.6024 293.7099 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: 4229.42, 0.00391018/step Wall: 4229.42, 0.00391018/step, 1.57819 hours remaining, 113.550781 MB of memory in use. ENERGY: 1047000 650.5177 1812.6246 1942.7189 99.7417 1.8022 -1089.3510 0.0000 0.0000 2649.7260 6067.7802 292.6696 3418.0542 6101.2536 292.4780 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: 4230.2, 0.00391089/step Wall: 4230.2, 0.00391089/step, 1.57826 hours remaining, 113.550781 MB of memory in use. ENERGY: 1047200 625.3947 1818.4217 1961.4013 111.9209 1.8262 -1113.1610 0.0000 0.0000 2667.7634 6073.5672 294.6619 3405.8038 6104.2359 292.6769 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: 4230.98, 0.00391234/step Wall: 4230.98, 0.00391234/step, 1.57863 hours remaining, 113.550781 MB of memory in use. ENERGY: 1047400 662.7863 1864.6927 1954.2313 104.0805 1.9625 -1095.2998 0.0000 0.0000 2625.0670 6117.5204 289.9460 3492.4535 6146.6686 293.1141 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: 4231.76, 0.00390528/step Wall: 4231.76, 0.00390528/step, 1.57556 hours remaining, 113.550781 MB of memory in use. ENERGY: 1047600 668.3563 1828.7223 1987.3165 109.6861 1.2519 -1123.6807 0.0000 0.0000 2622.8286 6094.4811 289.6987 3471.6524 6126.8908 293.8642 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: 4232.54, 0.00391019/step Wall: 4232.54, 0.00391019/step, 1.57733 hours remaining, 113.550781 MB of memory in use. ENERGY: 1047800 694.2956 1779.9060 1934.6376 102.3754 0.8953 -1138.6292 0.0000 0.0000 2750.7504 6124.2311 303.8280 3373.4807 6157.5449 295.3745 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: 4233.33, 0.0039115/step Wall: 4233.33, 0.0039115/step, 1.57764 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1048000 663.9477 1877.4102 1941.2513 107.0503 1.6971 -1112.0684 0.0000 0.0000 2661.6684 6140.9564 293.9887 3479.2881 6173.2263 296.3792 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: 4234.11, 0.00391052/step Wall: 4234.11, 0.00391052/step, 1.57702 hours remaining, 113.550781 MB of memory in use. ENERGY: 1048200 610.3289 1869.3459 1935.8163 108.5868 0.9719 -1092.3042 0.0000 0.0000 2676.9368 6109.6824 295.6751 3432.7456 6143.7268 295.0802 LDB: ============= START OF LOAD BALANCING ============== 4236.81 LDB: ============== END OF LOAD BALANCING =============== 4236.81 LDB: =============== DONE WITH MIGRATION ================ 4236.81 LDB: ============= START OF LOAD BALANCING ============== 4237.2 LDB: ============== END OF LOAD BALANCING =============== 4237.2 LDB: =============== DONE WITH MIGRATION ================ 4237.2 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: 4234.89, 0.00391611/step Wall: 4234.89, 0.00391611/step, 1.57906 hours remaining, 113.550781 MB of memory in use. ENERGY: 1048400 669.4208 1825.9066 1974.8663 104.4330 1.2093 -1107.5836 0.0000 0.0000 2669.4912 6137.7436 294.8527 3468.2524 6169.0618 296.9457 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: 4235.67, 0.00390767/step Wall: 4235.67, 0.00390767/step, 1.57544 hours remaining, 113.550781 MB of memory in use. ENERGY: 1048600 683.3873 1825.5970 1931.5258 108.3829 1.9196 -1140.8980 0.0000 0.0000 2714.8529 6124.7675 299.8631 3409.9146 6156.8027 297.9352 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: 4236.46, 0.00390949/step Wall: 4236.46, 0.00390949/step, 1.57596 hours remaining, 113.550781 MB of memory in use. ENERGY: 1048800 644.0250 1805.9867 1970.9624 131.7811 2.0619 -1134.8467 0.0000 0.0000 2713.5528 6133.5232 299.7195 3419.9704 6169.3790 297.8374 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: 4237.24, 0.00390929/step Wall: 4237.24, 0.00390929/step, 1.57566 hours remaining, 113.550781 MB of memory in use. ENERGY: 1049000 646.3700 1869.8240 1950.2932 103.4780 0.6392 -1102.8598 0.0000 0.0000 2703.8496 6171.5941 298.6477 3467.7445 6205.1070 298.6817 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: 4238.02, 0.00391616/step Wall: 4238.02, 0.00391616/step, 1.57821 hours remaining, 113.550781 MB of memory in use. ENERGY: 1049200 654.5614 1872.1537 1940.2706 104.9605 1.3885 -1101.1368 0.0000 0.0000 2678.2632 6150.4610 295.8216 3472.1978 6186.3673 299.6782 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: 4238.8, 0.00390576/step Wall: 4238.8, 0.00390575/step, 1.5738 hours remaining, 113.550781 MB of memory in use. ENERGY: 1049400 642.6041 1789.9785 1944.6522 110.7533 2.2135 -1109.7742 0.0000 0.0000 2703.4104 6083.8378 298.5992 3380.4274 6118.9692 295.1827 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: 4239.58, 0.00391075/step Wall: 4239.58, 0.00391076/step, 1.5756 hours remaining, 113.550781 MB of memory in use. ENERGY: 1049600 647.9375 1823.0376 1947.2769 116.5865 1.4880 -1140.3622 0.0000 0.0000 2749.1353 6145.0996 303.6496 3395.9643 6181.0657 296.7892 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: 4240.37, 0.00391156/step Wall: 4240.37, 0.00391156/step, 1.57571 hours remaining, 113.550781 MB of memory in use. ENERGY: 1049800 651.1163 1876.9851 1952.5480 114.2315 1.7444 -1091.4961 0.0000 0.0000 2660.0134 6165.1425 293.8059 3505.1291 6197.9057 297.7742 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: 4241.15, 0.00391047/step Wall: 4241.15, 0.00391047/step, 1.57505 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1050000 642.6316 1872.2580 1957.7105 109.3447 1.8799 -1096.4901 0.0000 0.0000 2689.9400 6177.2746 297.1114 3487.3346 6208.6229 298.2194 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1050000 WRITING COORDINATES TO DCD FILE MD.1.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: 4242.15, 0.0050243/step Wall: 4242.15, 0.0050243/step, 2.0234 hours remaining, 113.550781 MB of memory in use. ENERGY: 1050200 632.2270 1861.4984 1931.7748 101.9328 0.7366 -1077.0422 0.0000 0.0000 2658.2896 6109.4171 293.6155 3451.1274 6139.9768 294.7699 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: 4242.94, 0.00391299/step Wall: 4242.94, 0.00391299/step, 1.57563 hours remaining, 113.550781 MB of memory in use. ENERGY: 1050400 666.3514 1788.4734 1972.2372 118.5126 1.0250 -1067.6395 0.0000 0.0000 2655.4433 6134.4033 293.3011 3478.9600 6164.8665 294.5121 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: 4243.72, 0.00390538/step Wall: 4243.72, 0.00390538/step, 1.57235 hours remaining, 113.550781 MB of memory in use. ENERGY: 1050600 657.7032 1839.5375 1966.6560 118.9522 0.7826 -1126.1541 0.0000 0.0000 2704.2865 6161.7639 298.6960 3457.4774 6194.0173 297.9865 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: 4244.5, 0.00391143/step Wall: 4244.5, 0.00391143/step, 1.57457 hours remaining, 113.550781 MB of memory in use. ENERGY: 1050800 644.0328 1748.2321 1958.4683 102.9523 1.7758 -1085.7393 0.0000 0.0000 2764.0010 6133.7231 305.2916 3369.7221 6170.3991 297.2011 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: 4245.28, 0.003909/step Wall: 4245.28, 0.003909/step, 1.57337 hours remaining, 113.550781 MB of memory in use. ENERGY: 1051000 651.3715 1848.2307 1976.6998 104.8119 1.2466 -1095.0862 0.0000 0.0000 2710.2251 6197.4994 299.3519 3487.2744 6231.2248 298.8784 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: 4246.06, 0.00390942/step Wall: 4246.06, 0.00390942/step, 1.57332 hours remaining, 113.550781 MB of memory in use. ENERGY: 1051200 674.0603 1904.1030 1977.5755 111.3323 -0.6376 -1128.3155 0.0000 0.0000 2660.9501 6199.0681 293.9094 3538.1179 6228.9847 300.5647 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: 4246.84, 0.00390615/step Wall: 4246.84, 0.00390615/step, 1.57179 hours remaining, 113.550781 MB of memory in use. ENERGY: 1051400 668.2494 1853.5952 1953.1111 99.6411 1.2656 -1117.4863 0.0000 0.0000 2729.7174 6188.0934 301.5049 3458.3760 6220.8754 298.9258 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: 4247.63, 0.00391057/step Wall: 4247.63, 0.00391057/step, 1.57335 hours remaining, 113.550781 MB of memory in use. ENERGY: 1051600 642.2689 1897.4590 1946.7135 101.6824 1.2843 -1085.0694 0.0000 0.0000 2730.2642 6234.6030 301.5653 3504.3388 6266.5988 300.3321 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: 4248.41, 0.00391322/step Wall: 4248.41, 0.00391322/step, 1.5742 hours remaining, 113.550781 MB of memory in use. ENERGY: 1051800 706.1508 1864.2076 1985.7163 96.9552 1.8988 -1086.5466 0.0000 0.0000 2720.7446 6289.1265 300.5138 3568.3819 6320.9814 301.1302 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: 4249.19, 0.00390928/step Wall: 4249.19, 0.00390929/step, 1.5724 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1052000 670.2584 1808.1178 1963.7982 101.2351 1.1070 -1066.3949 0.0000 0.0000 2719.3885 6197.5102 300.3640 3478.1216 6227.8904 300.6118 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: 4249.97, 0.00391091/step Wall: 4249.97, 0.00391091/step, 1.57284 hours remaining, 113.550781 MB of memory in use. ENERGY: 1052200 655.1596 1798.5296 1965.7019 109.8488 1.6843 -1106.8201 0.0000 0.0000 2743.9787 6168.0828 303.0801 3424.1041 6206.8610 299.5170 LDB: ============= START OF LOAD BALANCING ============== 4252.67 LDB: ============== END OF LOAD BALANCING =============== 4252.67 LDB: =============== DONE WITH MIGRATION ================ 4252.67 LDB: ============= START OF LOAD BALANCING ============== 4253.06 LDB: ============== END OF LOAD BALANCING =============== 4253.06 LDB: =============== DONE WITH MIGRATION ================ 4253.06 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: 4250.76, 0.00391071/step Wall: 4250.76, 0.00391071/step, 1.57254 hours remaining, 113.550781 MB of memory in use. ENERGY: 1052400 649.8015 1874.8055 1958.5588 100.2775 1.4818 -1086.9994 0.0000 0.0000 2673.1811 6171.1069 295.2603 3497.9258 6201.5632 297.5085 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: 4251.54, 0.0039106/step Wall: 4251.54, 0.0039106/step, 1.57228 hours remaining, 113.550781 MB of memory in use. ENERGY: 1052600 635.2086 1843.0006 1956.6277 104.9997 1.1850 -1089.4138 0.0000 0.0000 2729.9116 6181.5195 301.5263 3451.6078 6217.0227 298.5155 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: 4252.32, 0.00391144/step Wall: 4252.32, 0.00391144/step, 1.5724 hours remaining, 113.550781 MB of memory in use. ENERGY: 1052800 642.1697 1852.8037 1968.6976 109.5918 2.1886 -1118.2840 0.0000 0.0000 2708.2510 6165.4183 299.1339 3457.1674 6201.0937 300.1973 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: 4253.1, 0.00391102/step Wall: 4253.1, 0.00391102/step, 1.57201 hours remaining, 113.550781 MB of memory in use. ENERGY: 1053000 611.5264 1903.6620 1972.5035 102.8040 1.0298 -1094.2540 0.0000 0.0000 2686.7625 6184.0341 296.7604 3497.2716 6216.3976 298.8882 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: 4253.88, 0.00391163/step Wall: 4253.88, 0.00391163/step, 1.57204 hours remaining, 113.550781 MB of memory in use. ENERGY: 1053200 658.3439 1938.1516 1917.6554 108.8867 1.8129 -1137.7282 0.0000 0.0000 2685.2362 6172.3585 296.5918 3487.1223 6202.9332 297.7537 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: 4254.66, 0.00390478/step Wall: 4254.66, 0.00390478/step, 1.56907 hours remaining, 113.550781 MB of memory in use. ENERGY: 1053400 674.6980 1877.8092 1950.6321 113.0266 3.3486 -1105.2374 0.0000 0.0000 2672.5290 6186.8061 295.1883 3514.2772 6218.9068 297.8531 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: 4255.45, 0.00391072/step Wall: 4255.45, 0.00391072/step, 1.57124 hours remaining, 113.550781 MB of memory in use. ENERGY: 1053600 644.2883 1836.7362 1924.3419 107.5264 0.5717 -1080.0089 0.0000 0.0000 2770.8616 6204.3172 306.0494 3433.4556 6238.2346 299.5022 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: 4256.23, 0.00391013/step Wall: 4256.23, 0.00391013/step, 1.57078 hours remaining, 113.550781 MB of memory in use. ENERGY: 1053800 643.3236 1874.9058 1958.9138 109.7775 2.0966 -1101.3075 0.0000 0.0000 2699.5996 6187.3095 298.1783 3487.7099 6220.8635 300.0985 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: 4257.01, 0.00391146/step Wall: 4257.01, 0.00391146/step, 1.5711 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1054000 652.5134 1855.7715 1920.8190 102.7880 1.3100 -1065.2184 0.0000 0.0000 2686.2259 6154.2094 296.7011 3467.9836 6186.7770 297.3515 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: 4257.79, 0.00390494/step Wall: 4257.79, 0.00390494/step, 1.56827 hours remaining, 113.550781 MB of memory in use. ENERGY: 1054200 666.4810 1842.4035 1947.9701 105.1916 0.0974 -1084.7670 0.0000 0.0000 2678.5741 6155.9506 295.8560 3477.3765 6189.2579 297.5461 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: 4258.58, 0.00391301/step Wall: 4258.58, 0.00391301/step, 1.57129 hours remaining, 113.550781 MB of memory in use. ENERGY: 1054400 651.7043 1856.4222 1958.5123 97.3449 1.0286 -1083.3647 0.0000 0.0000 2696.5544 6178.2020 297.8419 3481.6476 6212.4504 298.1066 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: 4259.36, 0.00391011/step Wall: 4259.36, 0.00391011/step, 1.56991 hours remaining, 113.550781 MB of memory in use. ENERGY: 1054600 686.7988 1809.4827 1939.2727 106.7545 -0.4942 -1113.1995 0.0000 0.0000 2745.1045 6173.7195 303.2044 3428.6150 6206.1129 299.5099 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: 4260.14, 0.00391077/step Wall: 4260.14, 0.00391077/step, 1.56996 hours remaining, 113.550781 MB of memory in use. ENERGY: 1054800 664.5654 1873.7764 1956.4983 107.5188 0.3087 -1106.0114 0.0000 0.0000 2649.7003 6146.3564 292.6668 3496.6561 6178.1923 298.1447 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: 4260.92, 0.00391186/step Wall: 4260.92, 0.00391186/step, 1.57018 hours remaining, 113.550781 MB of memory in use. ENERGY: 1055000 644.7445 1846.8955 1964.4393 112.1831 2.3559 -1103.7532 0.0000 0.0000 2711.7157 6178.5807 299.5166 3466.8650 6211.4012 300.1629 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: 4261.7, 0.00390584/step Wall: 4261.7, 0.00390584/step, 1.56754 hours remaining, 113.550781 MB of memory in use. ENERGY: 1055200 665.9716 1952.8547 1938.3470 118.3457 0.8468 -1118.5058 0.0000 0.0000 2665.6816 6223.5415 294.4320 3557.8600 6254.0569 299.7803 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: 4262.49, 0.00391341/step Wall: 4262.49, 0.00391341/step, 1.57036 hours remaining, 113.550781 MB of memory in use. ENERGY: 1055400 661.1637 1853.7649 1961.0737 111.0340 0.7071 -1084.6049 0.0000 0.0000 2674.2819 6177.4205 295.3819 3503.1385 6209.7370 299.7455 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: 4263.27, 0.00391091/step Wall: 4263.27, 0.00391091/step, 1.56915 hours remaining, 113.550781 MB of memory in use. ENERGY: 1055600 667.8111 1880.8090 1948.7567 110.3523 1.2411 -1088.6110 0.0000 0.0000 2657.5493 6177.9086 293.5337 3520.3593 6211.2617 299.5885 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: 4264.05, 0.00391191/step Wall: 4264.05, 0.00391191/step, 1.56933 hours remaining, 113.550781 MB of memory in use. ENERGY: 1055800 663.6967 1819.7694 1947.6004 115.9759 1.6421 -1097.4049 0.0000 0.0000 2702.2995 6153.5792 298.4765 3451.2797 6188.0663 297.3896 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: 4264.83, 0.0039088/step Wall: 4264.83, 0.0039088/step, 1.56786 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1056000 646.7423 1918.5730 1957.9913 105.2718 1.6915 -1117.8438 0.0000 0.0000 2667.7973 6180.2232 294.6656 3512.4260 6206.8042 298.3369 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: 4265.61, 0.00391126/step Wall: 4265.61, 0.00391126/step, 1.56863 hours remaining, 113.550781 MB of memory in use. ENERGY: 1056200 658.9353 1874.7610 1951.4987 122.4144 1.5997 -1098.0501 0.0000 0.0000 2666.5591 6177.7179 294.5289 3511.1589 6207.7314 300.6665 LDB: ============= START OF LOAD BALANCING ============== 4268.31 LDB: ============== END OF LOAD BALANCING =============== 4268.31 LDB: =============== DONE WITH MIGRATION ================ 4268.31 LDB: ============= START OF LOAD BALANCING ============== 4268.71 LDB: ============== END OF LOAD BALANCING =============== 4268.71 LDB: =============== DONE WITH MIGRATION ================ 4268.71 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: 4266.4, 0.00391693/step Wall: 4266.4, 0.00391693/step, 1.57069 hours remaining, 113.550781 MB of memory in use. ENERGY: 1056400 679.1977 1845.9352 1947.1965 104.6714 2.3145 -1108.7671 0.0000 0.0000 2709.7223 6180.2704 299.2964 3470.5481 6213.5966 298.6550 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: 4267.18, 0.0039284/step Wall: 4267.18, 0.0039284/step, 1.57507 hours remaining, 113.550781 MB of memory in use. ENERGY: 1056600 631.5265 1832.6319 1974.1467 107.7805 1.9815 -1100.8159 0.0000 0.0000 2715.0159 6162.2671 299.8811 3447.2512 6195.6748 299.0749 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: 4267.97, 0.00391358/step Wall: 4267.97, 0.00391358/step, 1.56891 hours remaining, 113.550781 MB of memory in use. ENERGY: 1056800 657.6753 1840.2294 1955.4627 93.1010 2.2320 -1101.9914 0.0000 0.0000 2744.1710 6190.8799 303.1013 3446.7089 6226.1336 300.1447 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: 4268.75, 0.00390839/step Wall: 4268.75, 0.00390838/step, 1.56661 hours remaining, 113.550781 MB of memory in use. ENERGY: 1057000 640.7013 1851.8133 1965.1515 105.3078 1.4296 -1095.8946 0.0000 0.0000 2705.3067 6173.8156 298.8087 3468.5088 6209.0505 299.4387 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: 4269.53, 0.00391223/step Wall: 4269.53, 0.00391223/step, 1.56794 hours remaining, 113.550781 MB of memory in use. ENERGY: 1057200 660.2584 1869.0339 1948.9040 98.8972 2.6284 -1129.5723 0.0000 0.0000 2708.1863 6158.3358 299.1267 3450.1495 6194.4519 299.8577 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: 4270.31, 0.00391371/step Wall: 4270.31, 0.00391371/step, 1.56831 hours remaining, 113.550781 MB of memory in use. ENERGY: 1057400 645.4778 1850.2701 1964.7656 100.8732 1.9407 -1104.6255 0.0000 0.0000 2690.6082 6149.3100 297.1852 3458.7019 6184.5166 298.6186 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: 4271.1, 0.00391364/step Wall: 4271.1, 0.00391364/step, 1.56806 hours remaining, 113.550781 MB of memory in use. ENERGY: 1057600 625.3482 1889.8063 1968.1226 106.3905 1.0737 -1094.6669 0.0000 0.0000 2697.9805 6194.0550 297.9995 3496.0744 6228.7697 301.0568 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: 4271.88, 0.00390839/step Wall: 4271.88, 0.00390839/step, 1.56574 hours remaining, 113.550781 MB of memory in use. ENERGY: 1057800 648.9805 1888.0708 1961.4029 119.3970 2.5026 -1119.6542 0.0000 0.0000 2715.2767 6215.9764 299.9099 3500.6997 6252.4768 301.4572 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: 4272.66, 0.00391338/step Wall: 4272.66, 0.00391338/step, 1.56753 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1058000 645.2307 1862.5254 1956.7693 105.9692 1.1117 -1100.1126 0.0000 0.0000 2739.7385 6211.2322 302.6118 3471.4937 6247.4552 301.2505 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: 4273.44, 0.0039163/step Wall: 4273.44, 0.0039163/step, 1.56848 hours remaining, 113.550781 MB of memory in use. ENERGY: 1058200 682.6663 1851.8449 1944.0845 116.3768 1.7344 -1102.5411 0.0000 0.0000 2777.1851 6271.3508 306.7478 3494.1658 6305.4487 302.9116 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: 4274.23, 0.00391443/step Wall: 4274.23, 0.00391443/step, 1.56751 hours remaining, 113.550781 MB of memory in use. ENERGY: 1058400 670.0199 1862.6196 1933.4274 107.7550 0.7614 -1122.7719 0.0000 0.0000 2765.4037 6217.2151 305.4465 3451.8114 6252.1151 302.8012 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: 4275.01, 0.00391449/step Wall: 4275.01, 0.0039145/step, 1.56732 hours remaining, 113.550781 MB of memory in use. ENERGY: 1058600 639.3596 1890.7431 1916.7539 112.1810 1.6325 -1065.6805 0.0000 0.0000 2721.5121 6216.5017 300.5986 3494.9896 6249.1813 301.0828 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: 4275.79, 0.00390761/step Wall: 4275.79, 0.00390761/step, 1.56434 hours remaining, 113.550781 MB of memory in use. ENERGY: 1058800 671.1958 1866.3693 1944.8921 104.1234 1.8824 -1135.4411 0.0000 0.0000 2712.7460 6165.7679 299.6303 3453.0220 6199.2052 300.5830 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: 4276.57, 0.00391577/step Wall: 4276.57, 0.00391577/step, 1.5674 hours remaining, 113.550781 MB of memory in use. ENERGY: 1059000 663.9702 1932.5140 1933.0710 104.1387 1.7531 -1102.9273 0.0000 0.0000 2668.2528 6200.7725 294.7160 3532.5197 6229.8323 302.9254 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: 4277.36, 0.00391481/step Wall: 4277.36, 0.00391481/step, 1.56679 hours remaining, 113.550781 MB of memory in use. ENERGY: 1059200 676.7987 1863.9020 1935.9818 106.5879 2.0400 -1147.6985 0.0000 0.0000 2718.5416 6156.1535 300.2705 3437.6119 6191.2426 299.9862 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: 4278.14, 0.00392178/step Wall: 4278.14, 0.00392178/step, 1.56937 hours remaining, 113.550781 MB of memory in use. ENERGY: 1059400 664.6021 1808.7722 1976.2242 110.5203 2.0957 -1119.1687 0.0000 0.0000 2707.2049 6150.2507 299.0183 3443.0458 6183.7298 299.5533 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: 4278.92, 0.00391046/step Wall: 4278.92, 0.00391046/step, 1.56462 hours remaining, 113.550781 MB of memory in use. ENERGY: 1059600 637.3268 1864.0027 1919.1858 105.0449 2.4323 -1069.0626 0.0000 0.0000 2669.3291 6128.2590 294.8348 3458.9299 6159.6300 297.7820 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: 4279.71, 0.00391177/step Wall: 4279.71, 0.00391177/step, 1.56493 hours remaining, 113.550781 MB of memory in use. ENERGY: 1059800 633.4485 1821.5133 1954.9812 97.4168 2.8630 -1092.5287 0.0000 0.0000 2706.8017 6124.4959 298.9738 3417.6942 6158.0575 297.5668 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: 4280.49, 0.00391427/step Wall: 4280.49, 0.00391427/step, 1.56571 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1060000 658.3336 1810.0306 1957.0697 99.4338 1.9123 -1067.7209 0.0000 0.0000 2648.3833 6107.4423 292.5213 3459.0591 6138.5108 295.5610 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1060000 WRITING COORDINATES TO DCD FILE MD.1.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: 4282.76, 0.0113784/step Wall: 4282.76, 0.0113784/step, 4.55071 hours remaining, 113.550781 MB of memory in use. ENERGY: 1060200 654.7627 1823.9284 1945.2734 107.0405 1.8906 -1066.3635 0.0000 0.0000 2677.9269 6144.4590 295.7845 3466.5321 6176.2603 295.4484 LDB: ============= START OF LOAD BALANCING ============== 4285.46 LDB: ============== END OF LOAD BALANCING =============== 4285.46 LDB: =============== DONE WITH MIGRATION ================ 4285.46 LDB: ============= START OF LOAD BALANCING ============== 4285.86 LDB: ============== END OF LOAD BALANCING =============== 4285.86 LDB: =============== DONE WITH MIGRATION ================ 4285.86 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: 4283.55, 0.00391736/step Wall: 4283.55, 0.00391736/step, 1.56651 hours remaining, 113.550781 MB of memory in use. ENERGY: 1060400 640.0332 1856.3622 1949.6350 98.7701 2.1490 -1075.7531 0.0000 0.0000 2674.0495 6145.2458 295.3562 3471.1963 6176.2515 298.9193 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: 4284.33, 0.00391186/step Wall: 4284.33, 0.00391186/step, 1.56409 hours remaining, 113.550781 MB of memory in use. ENERGY: 1060600 672.8744 1822.3487 1945.8503 116.6275 1.5614 -1114.3094 0.0000 0.0000 2801.4950 6246.4478 309.4329 3444.9528 6280.0452 301.1905 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: 4285.11, 0.00391262/step Wall: 4285.11, 0.00391262/step, 1.56418 hours remaining, 113.550781 MB of memory in use. ENERGY: 1060800 663.9069 1846.9839 1944.2415 106.1530 2.0708 -1118.2263 0.0000 0.0000 2762.0671 6207.1969 305.0780 3445.1298 6242.4770 304.1982 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: 4285.89, 0.00390728/step Wall: 4285.89, 0.00390728/step, 1.56183 hours remaining, 113.550781 MB of memory in use. ENERGY: 1061000 666.2203 1842.7362 1959.6941 111.1703 1.7348 -1105.2811 0.0000 0.0000 2693.5031 6169.7778 297.5049 3476.2747 6200.5928 299.4935 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: 4286.68, 0.00391353/step Wall: 4286.68, 0.00391353/step, 1.56411 hours remaining, 113.550781 MB of memory in use. ENERGY: 1061200 631.5238 1826.7402 1960.6587 97.0149 1.9134 -1078.6979 0.0000 0.0000 2688.3747 6127.5277 296.9385 3439.1530 6157.3636 297.0790 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: 4287.46, 0.00391337/step Wall: 4287.46, 0.00391337/step, 1.56383 hours remaining, 113.550781 MB of memory in use. ENERGY: 1061400 652.4096 1930.8373 1936.8942 105.0066 1.2454 -1100.1333 0.0000 0.0000 2643.3780 6169.6379 291.9685 3526.2599 6198.6521 297.5518 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: 4288.24, 0.00391189/step Wall: 4288.24, 0.00391189/step, 1.56302 hours remaining, 113.550781 MB of memory in use. ENERGY: 1061600 643.8455 1818.0087 1956.2994 109.9363 1.3040 -1093.8146 0.0000 0.0000 2697.5564 6133.1357 297.9526 3435.5793 6166.9140 297.6781 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: 4289.02, 0.00391415/step Wall: 4289.02, 0.00391415/step, 1.5637 hours remaining, 113.550781 MB of memory in use. ENERGY: 1061800 646.9655 1825.6456 1941.1330 110.2582 2.2468 -1127.9576 0.0000 0.0000 2691.5953 6089.8867 297.2942 3398.2914 6125.0134 297.5403 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: 4289.81, 0.0039068/step Wall: 4289.81, 0.0039068/step, 1.56055 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1062000 660.4959 1819.8684 1956.4883 101.8620 0.7913 -1119.2863 0.0000 0.0000 2684.8485 6105.0682 296.5490 3420.2197 6135.1032 297.1095 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: 4290.59, 0.00391405/step Wall: 4290.59, 0.00391405/step, 1.56323 hours remaining, 113.550781 MB of memory in use. ENERGY: 1062200 665.0930 1856.7502 1956.4141 95.6083 1.9149 -1127.5995 0.0000 0.0000 2706.6105 6154.7916 298.9527 3448.1810 6187.7287 297.6148 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: 4291.37, 0.0039141/step Wall: 4291.37, 0.0039141/step, 1.56303 hours remaining, 113.550781 MB of memory in use. ENERGY: 1062400 652.5689 1812.6470 1970.5391 114.3112 0.4953 -1117.3899 0.0000 0.0000 2678.8221 6111.9938 295.8834 3433.1717 6146.6948 297.2583 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: 4292.15, 0.00391275/step Wall: 4292.15, 0.00391275/step, 1.56227 hours remaining, 113.550781 MB of memory in use. ENERGY: 1062600 660.8808 1856.0483 1957.6520 104.8695 1.8013 -1142.8956 0.0000 0.0000 2716.9862 6155.3425 300.0987 3438.3563 6186.5288 299.7863 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: 4292.94, 0.00390694/step Wall: 4292.94, 0.00390694/step, 1.55974 hours remaining, 113.550781 MB of memory in use. ENERGY: 1062800 635.9420 1864.9743 1960.6723 101.5493 -0.2460 -1101.0943 0.0000 0.0000 2714.3861 6176.1836 299.8115 3461.7975 6207.7576 298.9878 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: 4293.72, 0.00391324/step Wall: 4293.72, 0.00391324/step, 1.56203 hours remaining, 113.550781 MB of memory in use. ENERGY: 1063000 627.5353 1846.2101 1930.0885 108.1723 1.2954 -1076.2500 0.0000 0.0000 2711.3503 6148.4019 299.4762 3437.0517 6181.4759 298.2544 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: 4294.5, 0.00391467/step Wall: 4294.5, 0.00391467/step, 1.56239 hours remaining, 113.550781 MB of memory in use. ENERGY: 1063200 626.0490 1833.9606 1972.3038 113.4208 0.4137 -1086.4876 0.0000 0.0000 2706.7098 6166.3701 298.9636 3459.6603 6200.5566 299.0978 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: 4295.28, 0.00391294/step Wall: 4295.28, 0.00391294/step, 1.56148 hours remaining, 113.550781 MB of memory in use. ENERGY: 1063400 633.5126 1816.0084 1971.2641 121.4001 0.6279 -1085.8699 0.0000 0.0000 2697.3417 6154.2849 297.9289 3456.9432 6187.6938 298.1971 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: 4296.07, 0.00391397/step Wall: 4296.07, 0.00391397/step, 1.56167 hours remaining, 113.550781 MB of memory in use. ENERGY: 1063600 655.5815 1843.3515 1969.0135 121.6590 0.8374 -1120.8101 0.0000 0.0000 2708.0121 6177.6449 299.1075 3469.6328 6209.2748 299.7960 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: 4296.85, 0.00390813/step Wall: 4296.85, 0.00390813/step, 1.55913 hours remaining, 113.550781 MB of memory in use. ENERGY: 1063800 682.8304 1883.7053 1948.8515 103.5090 1.2139 -1115.1235 0.0000 0.0000 2668.7357 6173.7223 294.7693 3504.9866 6204.1769 299.7456 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: 4297.63, 0.00391362/step Wall: 4297.63, 0.00391362/step, 1.5611 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1064000 651.0498 1882.4274 1947.3366 99.7954 0.9542 -1110.0390 0.0000 0.0000 2699.6587 6171.1831 298.1848 3471.5245 6204.5485 298.4089 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: 4298.41, 0.00391382/step Wall: 4298.41, 0.00391382/step, 1.56096 hours remaining, 113.550781 MB of memory in use. ENERGY: 1064200 653.9740 1852.2712 1955.4786 124.0694 1.6666 -1168.0617 0.0000 0.0000 2713.8800 6133.2781 299.7556 3419.3982 6165.4423 297.7177 LDB: ============= START OF LOAD BALANCING ============== 4301.11 LDB: ============== END OF LOAD BALANCING =============== 4301.11 LDB: =============== DONE WITH MIGRATION ================ 4301.11 LDB: ============= START OF LOAD BALANCING ============== 4301.51 LDB: ============== END OF LOAD BALANCING =============== 4301.51 LDB: =============== DONE WITH MIGRATION ================ 4301.51 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: 4299.2, 0.00391738/step Wall: 4299.2, 0.00391738/step, 1.56216 hours remaining, 113.550781 MB of memory in use. ENERGY: 1064400 634.3383 1854.4834 1950.5437 109.7597 1.7977 -1108.5398 0.0000 0.0000 2690.9293 6133.3124 297.2206 3442.3831 6164.6922 296.4561 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: 4299.98, 0.0039143/step Wall: 4299.98, 0.0039143/step, 1.56072 hours remaining, 113.550781 MB of memory in use. ENERGY: 1064600 634.1119 1845.4426 1964.4895 113.2311 2.7621 -1107.6729 0.0000 0.0000 2714.8284 6167.1927 299.8604 3452.3643 6198.6468 299.7022 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: 4300.76, 0.00390738/step Wall: 4300.76, 0.00390738/step, 1.55774 hours remaining, 113.550781 MB of memory in use. ENERGY: 1064800 678.2175 1923.2012 1945.9805 101.8112 1.7528 -1159.3948 0.0000 0.0000 2698.2382 6189.8065 298.0279 3491.5683 6224.1152 299.3444 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: 4301.54, 0.00391399/step Wall: 4301.54, 0.00391398/step, 1.56016 hours remaining, 113.550781 MB of memory in use. ENERGY: 1065000 622.1507 1843.2910 1980.6008 112.6197 1.0967 -1129.3809 0.0000 0.0000 2727.4308 6157.8088 301.2523 3430.3779 6192.2487 299.8036 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: 4302.33, 0.00391318/step Wall: 4302.33, 0.00391318/step, 1.55962 hours remaining, 113.550781 MB of memory in use. ENERGY: 1065200 651.4509 1912.3198 1995.5388 106.4773 1.1380 -1133.7503 0.0000 0.0000 2684.8137 6217.9882 296.5452 3533.1745 6251.6151 301.1835 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: 4303.11, 0.00391355/step Wall: 4303.11, 0.00391356/step, 1.55955 hours remaining, 113.550781 MB of memory in use. ENERGY: 1065400 659.8490 1841.8281 1956.8317 112.7320 2.4877 -1092.9367 0.0000 0.0000 2686.4397 6167.2315 296.7247 3480.7918 6196.9910 300.4990 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: 4303.89, 0.00390652/step Wall: 4303.89, 0.00390652/step, 1.55653 hours remaining, 113.550781 MB of memory in use. ENERGY: 1065600 640.2915 1880.7727 1945.7446 108.5573 1.7181 -1066.0097 0.0000 0.0000 2663.1554 6174.2299 294.1529 3511.0745 6203.5952 298.2230 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: 4304.67, 0.00391385/step Wall: 4304.67, 0.00391384/step, 1.55923 hours remaining, 113.550781 MB of memory in use. ENERGY: 1065800 664.6553 1849.0232 1949.9829 124.0469 1.1925 -1085.6911 0.0000 0.0000 2695.1957 6198.4054 297.6919 3503.2097 6229.0699 299.8814 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: 4305.46, 0.00391331/step Wall: 4305.46, 0.00391332/step, 1.5588 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1066000 656.1216 1831.3456 1968.6964 114.6932 1.7651 -1094.9304 0.0000 0.0000 2717.0428 6194.7343 300.1049 3477.6915 6226.3315 300.2825 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: 4306.24, 0.00391271/step Wall: 4306.24, 0.00391271/step, 1.55835 hours remaining, 113.550781 MB of memory in use. ENERGY: 1066200 643.2463 1900.8159 1954.7173 104.1107 1.5476 -1076.0877 0.0000 0.0000 2733.3957 6261.7457 301.9112 3528.3500 6293.7313 302.0590 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: 4307.02, 0.00391299/step Wall: 4307.02, 0.00391299/step, 1.55824 hours remaining, 113.550781 MB of memory in use. ENERGY: 1066400 689.6611 1863.0661 1974.9705 109.8546 0.4463 -1079.8970 0.0000 0.0000 2659.4980 6217.5994 293.7490 3558.1015 6249.7349 302.2068 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: 4307.8, 0.00390644/step Wall: 4307.8, 0.00390644/step, 1.55541 hours remaining, 113.550781 MB of memory in use. ENERGY: 1066600 673.4153 1798.7985 1944.8610 106.0263 0.8032 -1077.8150 0.0000 0.0000 2689.6558 6135.7451 297.0800 3446.0893 6168.6235 299.0188 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: 4308.58, 0.00391333/step Wall: 4308.58, 0.00391334/step, 1.55794 hours remaining, 113.550781 MB of memory in use. ENERGY: 1066800 663.6522 1781.4568 1951.3708 101.3596 0.8461 -1086.4657 0.0000 0.0000 2705.9951 6118.2150 298.8847 3412.2198 6152.7240 296.6012 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: 4309.37, 0.00391231/step Wall: 4309.37, 0.00391231/step, 1.55732 hours remaining, 113.550781 MB of memory in use. ENERGY: 1067000 634.8642 1808.9098 1956.9892 108.9392 -0.3480 -1107.5281 0.0000 0.0000 2741.6438 6143.4701 302.8222 3401.8263 6182.2414 296.7441 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: 4310.15, 0.00391046/step Wall: 4310.15, 0.00391045/step, 1.55636 hours remaining, 113.550781 MB of memory in use. ENERGY: 1067200 631.7238 1832.1485 1921.5573 108.5878 2.0736 -1131.3595 0.0000 0.0000 2751.3208 6116.0523 303.8910 3364.7316 6150.4735 298.1097 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: 4310.93, 0.00390713/step Wall: 4310.93, 0.00390714/step, 1.55482 hours remaining, 113.550781 MB of memory in use. ENERGY: 1067400 646.7088 1823.5206 1942.4844 92.6628 1.9864 -1132.6905 0.0000 0.0000 2749.8378 6124.5101 303.7272 3374.6724 6159.7077 295.6493 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: 4311.71, 0.00391266/step Wall: 4311.71, 0.00391266/step, 1.5568 hours remaining, 113.550781 MB of memory in use. ENERGY: 1067600 679.4121 1828.5361 1961.7755 102.9756 1.2011 -1134.8791 0.0000 0.0000 2674.9998 6114.0212 295.4612 3439.0213 6149.0659 297.4363 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: 4312.5, 0.00391338/step Wall: 4312.5, 0.00391338/step, 1.55687 hours remaining, 113.550781 MB of memory in use. ENERGY: 1067800 620.6116 1819.6929 1949.7948 97.9326 1.1784 -1115.0774 0.0000 0.0000 2725.8714 6100.0042 301.0801 3374.1328 6137.2847 297.1432 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: 4313.28, 0.00391451/step Wall: 4313.28, 0.00391451/step, 1.55711 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1068000 647.9797 1833.3598 1933.4015 109.3202 0.3733 -1105.3288 0.0000 0.0000 2650.8996 6070.0053 292.7992 3419.1056 6101.5458 295.6214 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: 4314.06, 0.0039123/step Wall: 4314.06, 0.0039123/step, 1.55601 hours remaining, 113.550781 MB of memory in use. ENERGY: 1068200 649.9534 1820.3011 1942.7802 116.8526 0.6533 -1093.8052 0.0000 0.0000 2664.1516 6100.8870 294.2630 3436.7354 6132.8783 294.3055 LDB: ============= START OF LOAD BALANCING ============== 4316.76 LDB: ============== END OF LOAD BALANCING =============== 4316.76 LDB: =============== DONE WITH MIGRATION ================ 4316.76 LDB: ============= START OF LOAD BALANCING ============== 4317.15 LDB: ============== END OF LOAD BALANCING =============== 4317.15 LDB: =============== DONE WITH MIGRATION ================ 4317.15 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: 4314.84, 0.00391181/step Wall: 4314.84, 0.00391181/step, 1.55559 hours remaining, 113.550781 MB of memory in use. ENERGY: 1068400 662.1363 1811.3272 1963.4015 117.6004 0.3823 -1107.6365 0.0000 0.0000 2688.0482 6135.2594 296.9024 3447.2112 6169.4471 294.9692 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: 4315.63, 0.00391334/step Wall: 4315.63, 0.00391334/step, 1.55599 hours remaining, 113.550781 MB of memory in use. ENERGY: 1068600 630.7121 1852.3100 1949.5877 113.9325 0.7877 -1116.2995 0.0000 0.0000 2721.3120 6152.3426 300.5765 3431.0306 6186.8116 297.0736 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: 4316.41, 0.00391375/step Wall: 4316.41, 0.00391375/step, 1.55593 hours remaining, 113.550781 MB of memory in use. ENERGY: 1068800 676.2735 1881.4045 1962.3936 113.3017 1.9562 -1143.0672 0.0000 0.0000 2676.7919 6169.0542 295.6591 3492.2623 6201.0787 298.4425 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: 4317.19, 0.00391285/step Wall: 4317.19, 0.00391285/step, 1.55536 hours remaining, 113.550781 MB of memory in use. ENERGY: 1069000 654.4414 1830.3104 1939.2865 98.2128 1.0855 -1098.2487 0.0000 0.0000 2717.9242 6143.0121 300.2023 3425.0878 6178.9512 298.7802 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: 4317.97, 0.0039057/step Wall: 4317.97, 0.0039057/step, 1.5523 hours remaining, 113.550781 MB of memory in use. ENERGY: 1069200 643.2202 1840.7126 1986.1404 101.6385 -0.5259 -1124.4889 0.0000 0.0000 2706.2790 6152.9758 298.9161 3446.6969 6190.2011 297.4192 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: 4318.76, 0.00391656/step Wall: 4318.76, 0.00391656/step, 1.5564 hours remaining, 113.550781 MB of memory in use. ENERGY: 1069400 656.6621 1847.9440 1978.0498 107.3339 0.4684 -1117.6448 0.0000 0.0000 2689.0561 6161.8694 297.0137 3472.8133 6192.0991 298.2620 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: 4319.54, 0.0039116/step Wall: 4319.54, 0.0039116/step, 1.55421 hours remaining, 113.550781 MB of memory in use. ENERGY: 1069600 656.0574 1852.8419 1957.4172 117.8615 -0.6014 -1122.5694 0.0000 0.0000 2713.7900 6174.7973 299.7457 3461.0073 6207.7756 299.4471 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: 4320.32, 0.00391245/step Wall: 4320.32, 0.00391245/step, 1.55433 hours remaining, 113.550781 MB of memory in use. ENERGY: 1069800 646.6864 1854.9409 1965.8565 120.6499 0.5154 -1098.9481 0.0000 0.0000 2634.8336 6124.5345 291.0247 3489.7010 6157.1433 298.4470 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: 4321.1, 0.00391386/step Wall: 4321.1, 0.00391386/step, 1.55467 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1070000 648.0184 1867.0956 1963.7930 108.8033 1.2707 -1099.0561 0.0000 0.0000 2598.0987 6088.0235 286.9672 3489.9248 6119.6065 295.4199 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1070000 WRITING COORDINATES TO DCD FILE MD.1.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: 4321.94, 0.00417875/step Wall: 4321.94, 0.00417875/step, 1.65966 hours remaining, 113.550781 MB of memory in use. ENERGY: 1070200 635.9466 1837.5190 1949.3823 93.8755 0.8540 -1087.4510 0.0000 0.0000 2689.7447 6119.8711 297.0898 3430.1265 6151.5707 293.8074 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: 4322.72, 0.00391325/step Wall: 4322.72, 0.00391325/step, 1.554 hours remaining, 113.550781 MB of memory in use. ENERGY: 1070400 622.1967 1904.1165 1917.6992 112.9873 1.3555 -1116.4960 0.0000 0.0000 2699.8283 6141.6875 298.2036 3441.8591 6177.2912 295.9464 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: 4323.5, 0.00391196/step Wall: 4323.5, 0.00391196/step, 1.55327 hours remaining, 113.550781 MB of memory in use. ENERGY: 1070600 695.9878 1882.6572 1925.5055 108.8753 1.8914 -1117.5668 0.0000 0.0000 2627.3326 6124.6829 290.1962 3497.3503 6156.9449 296.3103 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: 4324.29, 0.00391258/step Wall: 4324.29, 0.00391258/step, 1.55329 hours remaining, 113.550781 MB of memory in use. ENERGY: 1070800 641.7635 1888.7555 1947.9736 110.2304 1.6158 -1142.9972 0.0000 0.0000 2678.8909 6126.2326 295.8910 3447.3417 6156.8621 296.2264 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: 4325.07, 0.00391415/step Wall: 4325.07, 0.00391415/step, 1.5537 hours remaining, 113.550781 MB of memory in use. ENERGY: 1071000 662.9896 1851.9924 1935.4411 109.8465 1.9019 -1103.0225 0.0000 0.0000 2745.7582 6204.9073 303.2766 3459.1491 6237.2783 298.7228 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: 4325.85, 0.00390766/step Wall: 4325.85, 0.00390766/step, 1.55091 hours remaining, 113.550781 MB of memory in use. ENERGY: 1071200 666.8709 1905.9921 1943.2489 115.9431 1.0832 -1118.2202 0.0000 0.0000 2746.9245 6261.8423 303.4055 3514.9179 6292.0326 301.4819 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: 4326.63, 0.00391374/step Wall: 4326.63, 0.00391374/step, 1.5531 hours remaining, 113.550781 MB of memory in use. ENERGY: 1071400 654.2487 1939.0338 1942.5581 110.4471 1.7185 -1068.1378 0.0000 0.0000 2734.3297 6314.1980 302.0143 3579.8683 6344.8359 305.7949 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: 4327.42, 0.00392576/step Wall: 4327.42, 0.00392576/step, 1.55765 hours remaining, 113.550781 MB of memory in use. ENERGY: 1071600 661.6682 1850.2374 1980.9114 113.7129 0.4194 -1104.5938 0.0000 0.0000 2759.7971 6262.1526 304.8273 3502.3556 6295.5618 306.0569 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: 4328.2, 0.00391377/step Wall: 4328.2, 0.00391377/step, 1.55268 hours remaining, 113.550781 MB of memory in use. ENERGY: 1071800 672.3821 1888.2262 1963.8112 107.0360 1.8639 -1111.8546 0.0000 0.0000 2752.9461 6274.4108 304.0706 3521.4647 6306.7202 303.8409 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: 4328.98, 0.00390908/step Wall: 4328.98, 0.00390908/step, 1.5506 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1072000 658.7723 1865.9731 1953.0732 110.8789 1.2635 -1091.3473 0.0000 0.0000 2754.4707 6253.0845 304.2390 3498.6138 6284.9108 304.3792 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: 4329.77, 0.00391266/step Wall: 4329.77, 0.00391266/step, 1.5518 hours remaining, 113.550781 MB of memory in use. ENERGY: 1072200 657.1238 1850.0078 1966.4338 122.8527 2.6909 -1090.3884 0.0000 0.0000 2753.5689 6262.2895 304.1394 3508.7206 6295.6194 304.8211 LDB: ============= START OF LOAD BALANCING ============== 4332.47 LDB: ============== END OF LOAD BALANCING =============== 4332.47 LDB: =============== DONE WITH MIGRATION ================ 4332.47 LDB: ============= START OF LOAD BALANCING ============== 4332.86 LDB: ============== END OF LOAD BALANCING =============== 4332.86 LDB: =============== DONE WITH MIGRATION ================ 4332.86 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: 4330.55, 0.0039181/step Wall: 4330.55, 0.0039181/step, 1.55375 hours remaining, 113.550781 MB of memory in use. ENERGY: 1072400 672.4304 1904.5392 1932.9630 106.0586 1.3740 -1115.9345 0.0000 0.0000 2798.4563 6299.8870 309.0973 3501.4307 6334.1143 305.3184 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: 4331.33, 0.00391319/step Wall: 4331.33, 0.00391319/step, 1.55158 hours remaining, 113.550781 MB of memory in use. ENERGY: 1072600 642.1704 1901.2620 1946.8379 109.6565 -0.4802 -1113.9822 0.0000 0.0000 2819.9985 6305.4630 311.4767 3485.4645 6341.7211 308.1063 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: 4332.12, 0.00391183/step Wall: 4332.12, 0.00391183/step, 1.55082 hours remaining, 113.550781 MB of memory in use. ENERGY: 1072800 665.6839 1901.7805 1946.0975 103.6796 1.3189 -1133.3424 0.0000 0.0000 2796.6810 6281.8990 308.9012 3485.2180 6314.1738 307.2043 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: 4332.9, 0.00390708/step Wall: 4332.9, 0.00390708/step, 1.54872 hours remaining, 113.550781 MB of memory in use. ENERGY: 1073000 658.2867 1846.2167 1960.0520 107.5052 1.2065 -1106.9735 0.0000 0.0000 2760.9353 6227.2290 304.9530 3466.2937 6261.0986 302.2830 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: 4333.68, 0.0039134/step Wall: 4333.68, 0.0039134/step, 1.55101 hours remaining, 113.550781 MB of memory in use. ENERGY: 1073200 658.2643 1864.5243 1952.0928 104.9006 1.5147 -1097.6082 0.0000 0.0000 2759.9833 6243.6719 304.8478 3483.6885 6277.2337 302.3699 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: 4334.46, 0.00391292/step Wall: 4334.46, 0.00391292/step, 1.55061 hours remaining, 113.550781 MB of memory in use. ENERGY: 1073400 649.1145 1852.6992 1978.1861 113.0668 0.9982 -1089.6354 0.0000 0.0000 2742.2138 6246.6433 302.8852 3504.4294 6280.4965 303.7409 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: 4335.24, 0.00391331/step Wall: 4335.24, 0.00391331/step, 1.55054 hours remaining, 113.550781 MB of memory in use. ENERGY: 1073600 624.1562 1880.3687 1961.5821 100.0048 2.7971 -1084.7420 0.0000 0.0000 2740.4001 6224.5671 302.6848 3484.1670 6257.4373 302.2357 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: 4336.03, 0.00390818/step Wall: 4336.03, 0.00390818/step, 1.54829 hours remaining, 113.550781 MB of memory in use. ENERGY: 1073800 704.8686 1848.5499 1937.9169 105.8040 1.5517 -1108.2702 0.0000 0.0000 2710.2637 6200.6846 299.3562 3490.4208 6231.4293 301.3248 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: 4336.81, 0.00391477/step Wall: 4336.81, 0.00391477/step, 1.55069 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1074000 627.6831 1890.1576 1966.0185 113.5738 1.5671 -1138.6199 0.0000 0.0000 2678.4176 6138.7978 295.8387 3460.3802 6172.1348 299.7363 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: 4337.59, 0.00391312/step Wall: 4337.59, 0.00391312/step, 1.54981 hours remaining, 113.550781 MB of memory in use. ENERGY: 1074200 633.4230 1848.8677 1973.7447 102.6751 1.9453 -1131.2541 0.0000 0.0000 2689.8119 6119.2137 297.0972 3429.4017 6151.3423 299.5532 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: 4338.37, 0.00391358/step Wall: 4338.37, 0.00391358/step, 1.54978 hours remaining, 113.550781 MB of memory in use. ENERGY: 1074400 652.3078 1824.1650 1973.9709 111.5710 1.6008 -1120.1176 0.0000 0.0000 2680.8932 6124.3910 296.1121 3443.4979 6156.8221 296.4898 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: 4339.16, 0.00391226/step Wall: 4339.16, 0.00391226/step, 1.54904 hours remaining, 113.550781 MB of memory in use. ENERGY: 1074600 650.7509 1803.1141 1953.4997 113.1330 0.3793 -1064.3583 0.0000 0.0000 2724.8072 6181.3259 300.9625 3456.5187 6213.4902 299.4247 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: 4339.94, 0.00390599/step Wall: 4339.94, 0.00390599/step, 1.54634 hours remaining, 113.550781 MB of memory in use. ENERGY: 1074800 683.4061 1868.8709 1992.7704 106.4105 0.8760 -1131.2454 0.0000 0.0000 2702.7916 6223.8801 298.5309 3521.0886 6257.7380 300.7254 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: 4340.72, 0.00391452/step Wall: 4340.72, 0.00391452/step, 1.5495 hours remaining, 113.550781 MB of memory in use. ENERGY: 1075000 676.1557 1798.8019 1985.3148 93.7833 0.5371 -1100.1753 0.0000 0.0000 2738.0024 6192.4200 302.4200 3454.4176 6224.1503 300.9627 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: 4341.5, 0.00391403/step Wall: 4341.5, 0.00391403/step, 1.54909 hours remaining, 113.550781 MB of memory in use. ENERGY: 1075200 640.8086 1822.0508 1954.8034 115.5752 0.4725 -1109.4556 0.0000 0.0000 2753.8632 6178.1181 304.1719 3424.2549 6210.7826 299.6126 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: 4342.29, 0.00391441/step Wall: 4342.29, 0.00391441/step, 1.54902 hours remaining, 113.550781 MB of memory in use. ENERGY: 1075400 673.7624 1843.0241 1969.6826 116.6090 1.6108 -1111.2480 0.0000 0.0000 2777.1793 6270.6202 306.7472 3493.4409 6305.2453 301.5041 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: 4343.07, 0.00391613/step Wall: 4343.07, 0.00391613/step, 1.54948 hours remaining, 113.550781 MB of memory in use. ENERGY: 1075600 657.2259 1849.6466 1957.7020 110.2401 0.9347 -1111.6241 0.0000 0.0000 2796.5204 6260.6458 308.8835 3464.1253 6294.1192 303.6657 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: 4343.85, 0.00390743/step Wall: 4343.85, 0.00390743/step, 1.54582 hours remaining, 113.550781 MB of memory in use. ENERGY: 1075800 660.2909 1858.1063 1967.9294 113.9179 1.8466 -1099.6970 0.0000 0.0000 2775.4300 6277.8241 306.5540 3502.3940 6312.4519 306.0513 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: 4344.63, 0.00391324/step Wall: 4344.63, 0.00391324/step, 1.5479 hours remaining, 113.550781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1076000 626.2233 1870.9984 1974.9174 115.2631 1.4573 -1117.3381 0.0000 0.0000 2728.9766 6200.4979 301.4231 3471.5213 6233.9114 302.3979 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: 4345.42, 0.00391447/step Wall: 4345.42, 0.00391446/step, 1.54817 hours remaining, 113.550781 MB of memory in use. ENERGY: 1076200 641.0570 1804.6758 1973.7776 113.6085 1.1869 -1103.9492 0.0000 0.0000 2780.2941 6210.6507 307.0912 3430.3566 6247.4888 301.8680 LDB: ============= START OF LOAD BALANCING ============== 4348.12 LDB: ============== END OF LOAD BALANCING =============== 4348.12 LDB: =============== DONE WITH MIGRATION ================ 4348.12 LDB: ============= START OF LOAD BALANCING ============== 4348.51 LDB: ============== END OF LOAD BALANCING =============== 4348.51 LDB: =============== DONE WITH MIGRATION ================ 4348.51 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: 4346.2, 0.00391872/step Wall: 4346.2, 0.00391873/step, 1.54964 hours remaining, 113.550781 MB of memory in use. ENERGY: 1076400 654.2032 1851.6887 1970.3848 99.4109 1.4777 -1114.1261 0.0000 0.0000 2703.3581 6166.3973 298.5934 3463.0391 6200.1906 300.2430 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: 4346.98, 0.00390862/step Wall: 4346.98, 0.00390862/step, 1.54542 hours remaining, 113.550781 MB of memory in use. ENERGY: 1076600 659.3065 1861.6703 1937.5498 107.8119 0.0407 -1117.5272 0.0000 0.0000 2672.8121 6121.6640 295.2195 3448.8519 6154.1993 297.6272 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: 4347.77, 0.00391613/step Wall: 4347.77, 0.00391613/step, 1.54817 hours remaining, 113.550781 MB of memory in use. ENERGY: 1076800 635.6821 1887.3887 1963.5032 103.1425 -1.4420 -1100.4899 0.0000 0.0000 2647.5825 6135.3672 292.4329 3487.7848 6166.8233 297.0068 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: 4348.55, 0.00391801/step Wall: 4348.55, 0.00391801/step, 1.5487 hours remaining, 113.550781 MB of memory in use. ENERGY: 1077000 630.3525 1843.2987 1949.3057 99.6468 0.1585 -1109.4049 0.0000 0.0000 2726.4765 6139.8338 301.1469 3413.3572 6176.4936 296.9477 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: 4349.33, 0.00391492/step Wall: 4349.33, 0.00391492/step, 1.54727 hours remaining, 113.550781 MB of memory in use. ENERGY: 1077200 634.1285 1829.7985 1959.2088 86.9142 0.8897 -1126.3366 0.0000 0.0000 2712.5978 6097.2009 299.6140 3384.6031 6130.1416 295.7752 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: 4350.12, 0.00391538/step Wall: 4350.12, 0.00391538/step, 1.54723 hours remaining, 113.550781 MB of memory in use. ENERGY: 1077400 644.1198 1817.1037 1968.3551 105.9255 0.9711 -1121.3801 0.0000 0.0000 2646.0314 6061.1265 292.2615 3415.0951 6092.8734 293.7435 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: 4350.9, 0.00390967/step Wall: 4350.9, 0.00390967/step, 1.54475 hours remaining, 113.554688 MB of memory in use. ENERGY: 1077600 672.9378 1861.6601 1954.3818 100.8765 1.1103 -1106.6996 0.0000 0.0000 2658.1117 6142.3784 293.5958 3484.2668 6175.5182 296.0365 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: 4351.68, 0.00391497/step Wall: 4351.68, 0.00391497/step, 1.54663 hours remaining, 113.554688 MB of memory in use. ENERGY: 1077800 631.4451 1860.5236 1944.0458 104.1450 2.0136 -1096.6932 0.0000 0.0000 2661.3837 6106.8636 293.9572 3445.4799 6139.0087 296.9716 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: 4352.46, 0.00391559/step Wall: 4352.46, 0.00391559/step, 1.54666 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: 1078000 650.8786 1898.7745 1946.6588 122.4283 1.3208 -1113.0077 0.0000 0.0000 2630.7402 6137.7935 290.5726 3507.0533 6167.5121 296.5777 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: 4353.25, 0.00391758/step Wall: 4353.25, 0.00391758/step, 1.54723 hours remaining, 113.554688 MB of memory in use. ENERGY: 1078200 635.0546 1866.0813 1972.8756 94.8785 0.3524 -1127.3571 0.0000 0.0000 2670.2561 6112.1416 294.9372 3441.8854 6144.9432 297.2839 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: 4354.03, 0.00390983/step Wall: 4354.03, 0.00390983/step, 1.54395 hours remaining, 113.554688 MB of memory in use. ENERGY: 1078400 630.0250 1844.9377 1952.7895 104.5649 1.0041 -1125.3205 0.0000 0.0000 2706.9260 6114.9267 298.9875 3408.0007 6149.3824 296.7507 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: 4354.81, 0.00391808/step Wall: 4354.81, 0.00391808/step, 1.54699 hours remaining, 113.558594 MB of memory in use. ENERGY: 1078600 645.4192 1838.3976 1985.7060 116.9377 0.5783 -1121.0961 0.0000 0.0000 2693.4573 6159.4001 297.4999 3465.9428 6191.2608 297.6675 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: 4355.6, 0.00391572/step Wall: 4355.6, 0.00391572/step, 1.54584 hours remaining, 113.558594 MB of memory in use. ENERGY: 1078800 654.8052 1799.9825 1978.2814 128.0430 0.8629 -1085.6397 0.0000 0.0000 2737.2368 6213.5721 302.3354 3476.3353 6245.7789 298.7065 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: 4356.38, 0.00391618/step Wall: 4356.38, 0.00391618/step, 1.5458 hours remaining, 113.558594 MB of memory in use. ENERGY: 1079000 654.1797 1799.7213 1999.3549 113.2132 0.4390 -1101.3851 0.0000 0.0000 2708.3062 6173.8291 299.1400 3465.5229 6208.5900 301.2217 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: 4357.16, 0.00391643/step Wall: 4357.16, 0.00391643/step, 1.54568 hours remaining, 113.558594 MB of memory in use. ENERGY: 1079200 623.3171 1843.8515 1981.2476 101.9353 0.4274 -1099.6054 0.0000 0.0000 2671.6369 6122.8104 295.0897 3451.1735 6154.7599 297.1792 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: 4357.94, 0.00391042/step Wall: 4357.94, 0.00391042/step, 1.5431 hours remaining, 113.558594 MB of memory in use. ENERGY: 1079400 671.7692 1830.9915 1962.6104 105.6627 0.4594 -1103.4300 0.0000 0.0000 2715.6041 6183.6673 299.9460 3468.0632 6215.4396 299.1876 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: 4358.73, 0.00392623/step Wall: 4358.73, 0.00392623/step, 1.54912 hours remaining, 113.558594 MB of memory in use. ENERGY: 1079600 641.3892 1827.8317 1961.9733 109.0410 -0.0222 -1129.5202 0.0000 0.0000 2764.9171 6175.6099 305.3928 3410.6928 6211.6521 300.2534 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: 4359.51, 0.00391646/step Wall: 4359.51, 0.00391646/step, 1.54504 hours remaining, 113.558594 MB of memory in use. ENERGY: 1079800 626.3117 1850.4223 1963.0552 105.2645 1.3240 -1117.0676 0.0000 0.0000 2732.2975 6161.6076 301.7899 3429.3101 6192.4212 298.9034 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: 4360.3, 0.00391553/step Wall: 4360.3, 0.00391553/step, 1.54446 hours remaining, 113.558594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1080000 627.8705 1831.1575 1985.3906 103.6093 1.5910 -1087.1570 0.0000 0.0000 2744.7805 6207.2425 303.1687 3462.4619 6241.3447 297.6593 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1080000 WRITING COORDINATES TO DCD FILE MD.1.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: 4361.12, 0.00414099/step Wall: 4361.12, 0.00414099/step, 1.63316 hours remaining, 113.558594 MB of memory in use. ENERGY: 1080200 684.2296 1791.6482 1961.1845 112.1774 0.8701 -1111.0162 0.0000 0.0000 2715.7516 6154.8453 299.9623 3439.0937 6189.0628 300.7283 LDB: ============= START OF LOAD BALANCING ============== 4363.82 LDB: ============== END OF LOAD BALANCING =============== 4363.82 LDB: =============== DONE WITH MIGRATION ================ 4363.82 LDB: ============= START OF LOAD BALANCING ============== 4364.22 LDB: ============== END OF LOAD BALANCING =============== 4364.22 LDB: =============== DONE WITH MIGRATION ================ 4364.22 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: 4361.91, 0.00391542/step Wall: 4361.91, 0.00391542/step, 1.54398 hours remaining, 113.558594 MB of memory in use. ENERGY: 1080400 674.8928 1798.2920 1946.1774 116.4197 -0.0675 -1132.4286 0.0000 0.0000 2701.1522 6104.4380 298.3498 3403.2858 6135.9179 297.1693 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: 4362.69, 0.00391531/step Wall: 4362.69, 0.00391531/step, 1.54372 hours remaining, 113.562500 MB of memory in use. ENERGY: 1080600 658.6407 1867.0842 1951.9447 100.5318 1.3633 -1139.5409 0.0000 0.0000 2658.0860 6098.1099 293.5930 3440.0239 6131.3537 295.4652 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: 4363.47, 0.00391603/step Wall: 4363.47, 0.00391603/step, 1.54378 hours remaining, 113.566406 MB of memory in use. ENERGY: 1080800 616.7633 1809.7403 1961.0291 96.6558 0.7203 -1113.2882 0.0000 0.0000 2635.7935 6007.4142 291.1307 3371.6206 6038.5488 293.4063 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: 4364.26, 0.003916/step Wall: 4364.26, 0.003916/step, 1.54355 hours remaining, 113.566406 MB of memory in use. ENERGY: 1081000 664.8829 1791.1232 1939.1993 100.8567 -0.3459 -1107.2188 0.0000 0.0000 2649.8431 6038.3406 292.6826 3388.4975 6069.6142 291.5960 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: 4365.04, 0.00391102/step Wall: 4365.04, 0.00391102/step, 1.54138 hours remaining, 113.566406 MB of memory in use. ENERGY: 1081200 633.4326 1809.0749 1950.9307 113.9333 1.1981 -1093.1774 0.0000 0.0000 2627.6142 6043.0064 290.2273 3415.3922 6075.7201 291.4724 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: 4365.82, 0.00391544/step Wall: 4365.82, 0.00391544/step, 1.5429 hours remaining, 113.566406 MB of memory in use. ENERGY: 1081400 654.0275 1813.8588 1935.6520 118.2455 1.1660 -1139.5048 0.0000 0.0000 2701.0902 6084.5352 298.3429 3383.4451 6116.4723 292.7019 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: 4366.61, 0.00391618/step Wall: 4366.61, 0.00391617/step, 1.54297 hours remaining, 113.566406 MB of memory in use. ENERGY: 1081600 645.4697 1817.8253 1964.3727 109.6121 0.9918 -1092.7797 0.0000 0.0000 2635.9417 6081.4336 291.1471 3445.4919 6111.4396 294.3159 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: 4367.39, 0.00391481/step Wall: 4367.39, 0.00391482/step, 1.54222 hours remaining, 113.566406 MB of memory in use. ENERGY: 1081800 629.4022 1804.6049 1943.3219 106.5309 0.9046 -1098.2939 0.0000 0.0000 2676.1145 6062.5850 295.5843 3386.4705 6094.8008 293.6866 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: 4368.17, 0.00391637/step Wall: 4368.17, 0.00391637/step, 1.54261 hours remaining, 113.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1082000 652.5809 1822.9985 1948.2427 107.2672 1.2671 -1109.1305 0.0000 0.0000 2636.7932 6060.0193 291.2412 3423.2260 6090.9279 294.1919 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: 4368.95, 0.00391116/step Wall: 4368.95, 0.00391116/step, 1.54035 hours remaining, 113.566406 MB of memory in use. ENERGY: 1082200 613.0636 1823.1230 1960.4279 105.8281 1.1698 -1107.9980 0.0000 0.0000 2655.3841 6050.9985 293.2946 3395.6144 6081.7601 293.0942 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: 4369.74, 0.00391616/step Wall: 4369.74, 0.00391616/step, 1.5421 hours remaining, 113.566406 MB of memory in use. ENERGY: 1082400 624.8773 1866.6905 1940.9710 85.5871 1.9840 -1093.0255 0.0000 0.0000 2683.6721 6110.7565 296.4191 3427.0844 6140.0793 295.4420 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: 4370.52, 0.00391547/step Wall: 4370.52, 0.00391547/step, 1.54161 hours remaining, 113.566406 MB of memory in use. ENERGY: 1082600 661.3948 1862.1380 1944.1501 97.4096 1.3163 -1115.4885 0.0000 0.0000 2693.1086 6144.0289 297.4613 3450.9203 6176.2019 296.4760 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: 4371.3, 0.00391656/step Wall: 4371.3, 0.00391656/step, 1.54182 hours remaining, 113.566406 MB of memory in use. ENERGY: 1082800 652.8431 1816.0390 1969.0852 110.9732 2.1801 -1100.6017 0.0000 0.0000 2736.5085 6187.0274 302.2550 3450.5189 6221.7689 300.3492 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: 4372.09, 0.00391009/step Wall: 4372.09, 0.00391009/step, 1.53906 hours remaining, 113.566406 MB of memory in use. ENERGY: 1083000 625.3686 1834.7173 1959.8886 113.8877 1.5627 -1111.6866 0.0000 0.0000 2736.3889 6160.1271 302.2418 3423.7382 6193.3296 298.4660 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: 4372.87, 0.00391569/step Wall: 4372.87, 0.00391569/step, 1.54104 hours remaining, 113.566406 MB of memory in use. ENERGY: 1083200 668.9491 1803.8097 1956.4978 103.9903 1.6020 -1125.0665 0.0000 0.0000 2713.2993 6123.0817 299.6915 3409.7824 6157.8835 298.9585 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: 4373.65, 0.00391693/step Wall: 4373.65, 0.00391692/step, 1.54131 hours remaining, 113.566406 MB of memory in use. ENERGY: 1083400 666.7512 1806.6423 1918.6104 102.4680 1.7312 -1086.8302 0.0000 0.0000 2634.1755 6043.5484 290.9520 3409.3729 6074.3352 294.8865 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: 4374.44, 0.00391874/step Wall: 4374.44, 0.00391875/step, 1.54181 hours remaining, 113.566406 MB of memory in use. ENERGY: 1083600 665.1055 1849.1632 1938.5823 112.8854 1.0325 -1128.4324 0.0000 0.0000 2644.4879 6082.8244 292.0911 3438.3364 6115.5904 293.5594 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: 4375.22, 0.00391558/step Wall: 4375.22, 0.00391558/step, 1.54034 hours remaining, 113.566406 MB of memory in use. ENERGY: 1083800 662.9439 1810.7737 1971.6301 112.1014 1.5772 -1129.0341 0.0000 0.0000 2676.7035 6106.6957 295.6494 3429.9922 6137.3197 293.8771 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: 4376, 0.00391061/step Wall: 4376, 0.00391061/step, 1.53817 hours remaining, 113.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1084000 635.0130 1829.0217 1920.8144 106.0968 1.2812 -1110.2347 0.0000 0.0000 2722.7648 6104.7572 300.7370 3381.9923 6140.1051 295.5603 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: 4376.78, 0.00391755/step Wall: 4376.78, 0.00391755/step, 1.54069 hours remaining, 113.566406 MB of memory in use. ENERGY: 1084200 650.8102 1871.2783 1940.8693 102.3385 0.3861 -1117.7173 0.0000 0.0000 2639.5609 6087.5261 291.5469 3447.9652 6119.7905 295.7664 LDB: ============= START OF LOAD BALANCING ============== 4379.49 LDB: ============== END OF LOAD BALANCING =============== 4379.49 LDB: =============== DONE WITH MIGRATION ================ 4379.49 LDB: ============= START OF LOAD BALANCING ============== 4379.88 LDB: ============== END OF LOAD BALANCING =============== 4379.88 LDB: =============== DONE WITH MIGRATION ================ 4379.88 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: 4377.57, 0.00392191/step Wall: 4377.57, 0.00392191/step, 1.54218 hours remaining, 113.566406 MB of memory in use. ENERGY: 1084400 691.5921 1834.5794 1951.6606 106.6557 0.5747 -1141.4479 0.0000 0.0000 2709.7659 6153.3804 299.3012 3443.6146 6185.1306 296.7262 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: 4378.35, 0.0039175/step Wall: 4378.35, 0.0039175/step, 1.54023 hours remaining, 113.566406 MB of memory in use. ENERGY: 1084600 658.9335 1860.5094 1956.9555 110.9822 1.3641 -1098.8984 0.0000 0.0000 2705.2828 6195.1290 298.8060 3489.8462 6225.7943 299.0123 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: 4379.14, 0.00391643/step Wall: 4379.14, 0.00391643/step, 1.53959 hours remaining, 113.566406 MB of memory in use. ENERGY: 1084800 641.2442 1880.6573 1968.5227 109.3581 1.9505 -1093.7833 0.0000 0.0000 2648.2186 6156.1681 292.5031 3507.9496 6186.6841 300.6132 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: 4379.92, 0.00391051/step Wall: 4379.92, 0.00391051/step, 1.53705 hours remaining, 113.566406 MB of memory in use. ENERGY: 1085000 652.4639 1856.8373 1928.4746 101.9255 1.2830 -1106.8899 0.0000 0.0000 2682.3248 6116.4193 296.2702 3434.0945 6147.1134 298.5501 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: 4380.7, 0.00391707/step Wall: 4380.7, 0.00391707/step, 1.53941 hours remaining, 113.566406 MB of memory in use. ENERGY: 1085200 621.3964 1873.4109 1915.6149 122.2860 1.5723 -1113.7851 0.0000 0.0000 2706.5845 6127.0800 298.9498 3420.4955 6161.4353 297.8746 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: 4381.48, 0.00391739/step Wall: 4381.48, 0.00391739/step, 1.53932 hours remaining, 113.566406 MB of memory in use. ENERGY: 1085400 633.5402 1827.0477 1959.5435 100.4295 1.4065 -1068.5909 0.0000 0.0000 2672.6738 6126.0503 295.2043 3453.3765 6158.6401 297.4734 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: 4382.27, 0.00391493/step Wall: 4382.27, 0.00391494/step, 1.53814 hours remaining, 113.566406 MB of memory in use. ENERGY: 1085600 630.5346 1826.5483 1942.5489 92.2001 1.4186 -1102.7094 0.0000 0.0000 2735.6376 6126.1786 302.1588 3390.5410 6161.7844 297.4668 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: 4383.05, 0.0039101/step Wall: 4383.05, 0.0039101/step, 1.53602 hours remaining, 113.566406 MB of memory in use. ENERGY: 1085800 648.2543 1761.9691 1973.4030 112.2932 1.1071 -1102.3559 0.0000 0.0000 2717.6274 6112.2982 300.1695 3394.6708 6147.5949 295.9785 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: 4383.83, 0.00391755/step Wall: 4383.83, 0.00391755/step, 1.53873 hours remaining, 113.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1086000 678.1577 1802.4839 1960.7899 104.2609 2.2742 -1100.9958 0.0000 0.0000 2692.7221 6139.6928 297.4187 3446.9707 6173.6151 297.3841 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: 4384.62, 0.00391793/step Wall: 4384.62, 0.00391793/step, 1.53866 hours remaining, 113.566406 MB of memory in use. ENERGY: 1086200 636.4502 1815.9409 1971.7533 105.0121 1.6401 -1098.9532 0.0000 0.0000 2684.9507 6116.7941 296.5603 3431.8434 6151.3327 296.8922 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: 4385.4, 0.00391695/step Wall: 4385.4, 0.00391695/step, 1.53806 hours remaining, 113.566406 MB of memory in use. ENERGY: 1086400 631.3594 1801.3341 1978.8522 107.0103 1.5019 -1080.7898 0.0000 0.0000 2688.1437 6127.4118 296.9130 3439.2681 6161.8952 295.7596 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: 4386.18, 0.00391577/step Wall: 4386.18, 0.00391577/step, 1.53737 hours remaining, 113.566406 MB of memory in use. ENERGY: 1086600 662.8373 1866.6368 1960.1786 98.3921 1.7237 -1114.8606 0.0000 0.0000 2670.9349 6145.8428 295.0122 3474.9079 6174.7820 296.0869 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: 4386.97, 0.00391899/step Wall: 4386.97, 0.00391899/step, 1.53842 hours remaining, 113.566406 MB of memory in use. ENERGY: 1086800 667.0386 1872.3030 1957.3333 108.4050 1.5091 -1123.5119 0.0000 0.0000 2691.2036 6174.2808 297.2509 3483.0772 6204.5347 297.9018 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: 4387.75, 0.00391702/step Wall: 4387.75, 0.00391702/step, 1.53743 hours remaining, 113.566406 MB of memory in use. ENERGY: 1087000 666.4428 1826.1276 1962.7915 99.2311 0.4558 -1112.0134 0.0000 0.0000 2672.3069 6115.3422 295.1637 3443.0354 6147.5692 296.4993 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: 4388.53, 0.00391987/step Wall: 4388.53, 0.00391987/step, 1.53833 hours remaining, 113.566406 MB of memory in use. ENERGY: 1087200 660.8275 1861.1703 1950.8928 104.0024 1.3911 -1093.4051 0.0000 0.0000 2688.1440 6173.0230 296.9130 3484.8789 6205.5699 297.2107 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: 4389.32, 0.00391771/step Wall: 4389.32, 0.00391771/step, 1.53727 hours remaining, 113.566406 MB of memory in use. ENERGY: 1087400 679.2676 1825.2933 1941.2835 103.1426 1.5891 -1078.9958 0.0000 0.0000 2731.0708 6202.6511 301.6544 3471.5803 6237.0677 298.9486 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: 4390.1, 0.00390843/step Wall: 4390.1, 0.00390843/step, 1.53341 hours remaining, 113.566406 MB of memory in use. ENERGY: 1087600 698.0162 1877.1092 1936.1590 123.1884 1.8702 -1059.2486 0.0000 0.0000 2681.4512 6258.5456 296.1738 3577.0943 6291.3077 301.7124 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: 4390.88, 0.00391515/step Wall: 4390.88, 0.00391515/step, 1.53583 hours remaining, 113.566406 MB of memory in use. ENERGY: 1087800 667.4120 1836.7691 1925.8565 112.6553 1.6997 -1072.2698 0.0000 0.0000 2776.0490 6248.1718 306.6223 3472.1228 6281.9920 303.3013 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: 4391.67, 0.00391688/step Wall: 4391.67, 0.00391688/step, 1.53629 hours remaining, 113.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1088000 655.9455 1953.7452 1933.3874 114.4025 2.2519 -1123.0397 0.0000 0.0000 2706.7303 6243.4231 298.9659 3536.6928 6276.1496 301.7177 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: 4392.45, 0.0039176/step Wall: 4392.45, 0.0039176/step, 1.53635 hours remaining, 113.566406 MB of memory in use. ENERGY: 1088200 610.3724 1838.5026 1950.6576 104.2736 1.2307 -1070.3070 0.0000 0.0000 2804.2256 6238.9555 309.7345 3434.7298 6274.6082 302.9795 LDB: ============= START OF LOAD BALANCING ============== 4395.15 LDB: ============== END OF LOAD BALANCING =============== 4395.15 LDB: =============== DONE WITH MIGRATION ================ 4395.15 LDB: ============= START OF LOAD BALANCING ============== 4395.54 LDB: ============== END OF LOAD BALANCING =============== 4395.54 LDB: =============== DONE WITH MIGRATION ================ 4395.54 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: 4393.23, 0.00392152/step Wall: 4393.23, 0.00392152/step, 1.53767 hours remaining, 113.566406 MB of memory in use. ENERGY: 1088400 647.4129 1872.8478 1930.4914 108.8931 2.1210 -1055.7401 0.0000 0.0000 2654.7585 6160.7846 293.2255 3506.0260 6196.8460 299.8576 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: 4394.02, 0.00391026/step Wall: 4394.02, 0.00391026/step, 1.53304 hours remaining, 113.566406 MB of memory in use. ENERGY: 1088600 642.4813 1806.4755 1982.2930 114.3630 0.6032 -1058.5420 0.0000 0.0000 2650.1913 6137.8652 292.7210 3487.6739 6171.4683 296.7234 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: 4394.8, 0.00391695/step Wall: 4394.8, 0.00391695/step, 1.53544 hours remaining, 113.566406 MB of memory in use. ENERGY: 1088800 656.1700 1846.6392 1947.2262 100.1879 2.1309 -1109.2951 0.0000 0.0000 2689.5654 6132.6245 297.0700 3443.0591 6166.6993 296.9582 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: 4395.58, 0.00391722/step Wall: 4395.58, 0.00391722/step, 1.53533 hours remaining, 113.566406 MB of memory in use. ENERGY: 1089000 592.0764 1824.7223 1937.3471 100.9443 1.5926 -1094.5132 0.0000 0.0000 2694.1518 6056.3213 297.5766 3362.1695 6093.1360 294.9475 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: 4396.37, 0.00391718/step Wall: 4396.37, 0.00391718/step, 1.5351 hours remaining, 113.566406 MB of memory in use. ENERGY: 1089200 631.0269 1837.6907 1946.3215 111.5152 1.7666 -1108.0250 0.0000 0.0000 2671.7218 6092.0178 295.0991 3420.2959 6125.0920 293.1648 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: 4397.15, 0.00391374/step Wall: 4397.15, 0.00391374/step, 1.53353 hours remaining, 113.566406 MB of memory in use. ENERGY: 1089400 659.7439 1839.8922 1915.3852 106.9548 1.5949 -1081.7185 0.0000 0.0000 2753.4184 6195.2708 304.1227 3441.8525 6227.9377 298.1144 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: 4397.93, 0.00391546/step Wall: 4397.93, 0.00391546/step, 1.53399 hours remaining, 113.566406 MB of memory in use. ENERGY: 1089600 676.0409 1818.1263 1958.6522 103.6943 1.0043 -1088.8392 0.0000 0.0000 2687.4710 6156.1497 296.8387 3468.6787 6187.8287 299.5385 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: 4398.72, 0.00393/step Wall: 4398.72, 0.00393/step, 1.53947 hours remaining, 113.566406 MB of memory in use. ENERGY: 1089800 625.8313 1861.9093 1960.0189 117.8079 0.9028 -1133.9631 0.0000 0.0000 2715.2586 6147.7657 299.9079 3432.5071 6181.3536 298.6006 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: 4399.5, 0.00391795/step Wall: 4399.5, 0.00391795/step, 1.53453 hours remaining, 113.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1090000 650.1933 1854.5234 1970.9759 113.6949 0.3912 -1115.9360 0.0000 0.0000 2736.0965 6209.9392 302.2095 3473.8427 6247.1688 299.6292 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1090000 WRITING COORDINATES TO DCD FILE MD.1.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: 4400.33, 0.00415519/step Wall: 4400.33, 0.00415519/step, 1.62722 hours remaining, 113.566406 MB of memory in use. ENERGY: 1090200 647.0626 1877.0921 1988.4843 111.1409 1.5471 -1089.6941 0.0000 0.0000 2710.1038 6245.7367 299.3385 3535.6329 6275.3968 302.4463 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: 4401.11, 0.00390868/step Wall: 4401.11, 0.00390868/step, 1.53047 hours remaining, 113.566406 MB of memory in use. ENERGY: 1090400 688.3643 1815.0471 1977.3131 112.0110 0.3197 -1108.2777 0.0000 0.0000 2746.2512 6231.0288 303.3311 3484.7776 6266.5895 302.9979 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: 4401.9, 0.00391707/step Wall: 4401.9, 0.00391707/step, 1.53353 hours remaining, 113.566406 MB of memory in use. ENERGY: 1090600 648.0517 1892.7884 1960.2819 116.0189 0.4088 -1077.0653 0.0000 0.0000 2701.5652 6242.0496 298.3954 3540.4844 6273.8476 303.7190 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: 4402.68, 0.00391874/step Wall: 4402.68, 0.00391874/step, 1.53397 hours remaining, 113.566406 MB of memory in use. ENERGY: 1090800 696.7746 1889.6093 1977.9702 116.7101 1.7152 -1133.1857 0.0000 0.0000 2736.3823 6285.9760 302.2410 3549.5938 6320.1138 304.2268 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: 4403.46, 0.00391626/step Wall: 4403.46, 0.00391626/step, 1.53278 hours remaining, 113.566406 MB of memory in use. ENERGY: 1091000 674.8442 1878.6191 1960.2156 99.0086 1.9871 -1107.0893 0.0000 0.0000 2776.5939 6284.1792 306.6825 3507.5853 6317.5228 304.8079 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: 4404.25, 0.00391665/step Wall: 4404.25, 0.00391665/step, 1.53271 hours remaining, 113.566406 MB of memory in use. ENERGY: 1091200 694.7708 1858.6486 1953.4930 114.1341 2.0071 -1105.5747 0.0000 0.0000 2780.8628 6298.3418 307.1540 3517.4789 6330.4164 305.7753 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: 4405.03, 0.0039116/step Wall: 4405.03, 0.0039116/step, 1.53052 hours remaining, 113.566406 MB of memory in use. ENERGY: 1091400 677.8596 1916.0447 1942.2392 103.8723 0.7655 -1130.1511 0.0000 0.0000 2815.9866 6326.6168 311.0336 3510.6302 6362.0051 305.7914 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: 4405.81, 0.0039179/step Wall: 4405.81, 0.0039179/step, 1.53277 hours remaining, 113.566406 MB of memory in use. ENERGY: 1091600 650.4694 1904.7512 1964.5811 105.1756 0.0869 -1109.4584 0.0000 0.0000 2806.3849 6321.9907 309.9730 3515.6059 6358.2530 307.5011 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: 4406.6, 0.0039169/step Wall: 4406.6, 0.0039169/step, 1.53216 hours remaining, 113.566406 MB of memory in use. ENERGY: 1091800 652.9315 1870.5606 1960.6128 110.1288 0.3238 -1113.5022 0.0000 0.0000 2751.9387 6232.9941 303.9593 3481.0554 6267.0205 305.2586 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: 4407.38, 0.00391732/step Wall: 4407.38, 0.00391732/step, 1.53211 hours remaining, 113.566406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1092000 635.2868 1851.1760 1952.2995 106.5479 1.0195 -1092.8847 0.0000 0.0000 2814.9995 6268.4444 310.9245 3453.4449 6306.6891 303.1441 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: 4408.16, 0.0039106/step Wall: 4408.16, 0.0039106/step, 1.52926 hours remaining, 113.566406 MB of memory in use. ENERGY: 1092200 645.7191 1874.8993 1963.4173 112.6241 0.4388 -1125.3099 0.0000 0.0000 2712.9313 6184.7199 299.6508 3471.7886 6216.7360 301.6293 LDB: ============= START OF LOAD BALANCING ============== 4410.86 LDB: ============== END OF LOAD BALANCING =============== 4410.86 LDB: =============== DONE WITH MIGRATION ================ 4410.86 LDB: ============= START OF LOAD BALANCING ============== 4411.26 LDB: ============== END OF LOAD BALANCING =============== 4411.26 LDB: =============== DONE WITH MIGRATION ================ 4411.26 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: 4408.95, 0.00392224/step Wall: 4408.95, 0.00392224/step, 1.5336 hours remaining, 113.570312 MB of memory in use. ENERGY: 1092400 628.2287 1830.8094 1965.2962 132.0215 0.9521 -1133.6433 0.0000 0.0000 2759.5492 6183.2138 304.7999 3423.6646 6216.0976 301.0812 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: 4409.73, 0.00391865/step Wall: 4409.73, 0.00391865/step, 1.53197 hours remaining, 113.570312 MB of memory in use. ENERGY: 1092600 660.6390 1885.3586 1946.6225 120.2631 0.8161 -1160.2019 0.0000 0.0000 2782.0080 6235.5054 307.2805 3453.4974 6270.1456 301.5533 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: 4410.51, 0.00391904/step Wall: 4410.51, 0.00391904/step, 1.53191 hours remaining, 113.570312 MB of memory in use. ENERGY: 1092800 648.7180 1838.6783 1983.8331 111.9906 0.5802 -1089.0602 0.0000 0.0000 2704.5443 6199.2845 298.7245 3494.7401 6231.4925 302.2167 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: 4411.3, 0.00391693/step Wall: 4411.3, 0.00391693/step, 1.53087 hours remaining, 113.570312 MB of memory in use. ENERGY: 1093000 646.5259 1882.6110 1965.9990 125.9400 -0.6209 -1099.3796 0.0000 0.0000 2657.4175 6178.4930 293.5192 3521.0755 6208.3723 299.8980 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: 4412.08, 0.00391099/step Wall: 4412.08, 0.00391099/step, 1.52833 hours remaining, 113.570312 MB of memory in use. ENERGY: 1093200 656.6872 1857.6778 1952.3026 105.3079 0.3072 -1120.5143 0.0000 0.0000 2743.7290 6195.4973 303.0525 3451.7683 6230.8291 301.2968 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: 4412.86, 0.00391914/step Wall: 4412.86, 0.00391914/step, 1.53129 hours remaining, 113.570312 MB of memory in use. ENERGY: 1093400 669.3186 1822.6911 1962.0683 116.8010 -0.7345 -1098.7373 0.0000 0.0000 2719.1677 6190.5749 300.3396 3471.4073 6223.9486 300.6692 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: 4413.65, 0.0039195/step Wall: 4413.65, 0.0039195/step, 1.53122 hours remaining, 113.574219 MB of memory in use. ENERGY: 1093600 676.9152 1871.3758 1960.2228 111.1837 0.3355 -1090.2566 0.0000 0.0000 2706.6424 6236.4187 298.9562 3529.7763 6268.7162 301.6579 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: 4414.43, 0.00391881/step Wall: 4414.43, 0.00391881/step, 1.53073 hours remaining, 113.578125 MB of memory in use. ENERGY: 1093800 672.1121 1882.7566 1954.8259 116.8653 0.4744 -1092.1952 0.0000 0.0000 2720.3218 6255.1608 300.4671 3534.8390 6290.3371 303.6131 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: 4415.22, 0.00391887/step Wall: 4415.22, 0.00391887/step, 1.53054 hours remaining, 113.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1094000 673.5070 1844.2375 1990.0318 111.2352 0.5988 -1088.6648 0.0000 0.0000 2718.1056 6249.0511 300.2223 3530.9455 6281.7493 305.0804 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: 4416, 0.00391214/step Wall: 4416, 0.00391214/step, 1.52769 hours remaining, 113.578125 MB of memory in use. ENERGY: 1094200 701.9468 1865.0016 1942.7271 105.0678 1.2328 -1075.4184 0.0000 0.0000 2706.8014 6247.3591 298.9738 3540.5576 6278.7896 302.7891 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: 4416.78, 0.00391802/step Wall: 4416.78, 0.00391802/step, 1.52977 hours remaining, 113.578125 MB of memory in use. ENERGY: 1094400 694.9790 1880.5338 1957.3066 100.8999 -0.7855 -1127.0385 0.0000 0.0000 2718.3063 6224.2016 300.2445 3505.8953 6260.4159 301.7038 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: 4417.57, 0.00391928/step Wall: 4417.57, 0.00391928/step, 1.53005 hours remaining, 113.578125 MB of memory in use. ENERGY: 1094600 654.5129 1837.9417 1962.2632 102.7608 -1.4948 -1132.7041 0.0000 0.0000 2754.0495 6177.3292 304.1924 3423.2797 6214.1646 299.3451 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: 4418.35, 0.00392095/step Wall: 4418.35, 0.00392095/step, 1.53048 hours remaining, 113.578125 MB of memory in use. ENERGY: 1094800 655.7989 1867.8634 1935.5616 117.9611 0.6615 -1070.0302 0.0000 0.0000 2704.0977 6211.9141 298.6751 3507.8163 6245.1565 299.4059 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: 4419.13, 0.00391079/step Wall: 4419.13, 0.00391079/step, 1.52629 hours remaining, 113.578125 MB of memory in use. ENERGY: 1095000 661.0846 1799.5610 1966.9425 99.5800 0.8204 -1077.1453 0.0000 0.0000 2738.9574 6189.8005 302.5255 3450.8431 6224.7111 299.4695 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: 4419.92, 0.00391823/step Wall: 4419.92, 0.00391823/step, 1.52898 hours remaining, 113.578125 MB of memory in use. ENERGY: 1095200 667.1998 1865.6857 1919.8783 105.5741 1.3182 -1152.0617 0.0000 0.0000 2764.5427 6172.1371 305.3514 3407.5944 6209.8338 299.6593 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: 4420.7, 0.00391674/step Wall: 4420.7, 0.00391674/step, 1.52818 hours remaining, 113.578125 MB of memory in use. ENERGY: 1095400 682.9400 1821.0729 1946.3655 115.2672 0.4333 -1107.3741 0.0000 0.0000 2667.1661 6125.8709 294.5959 3458.7048 6161.1503 297.3360 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: 4421.48, 0.00391653/step Wall: 4421.48, 0.00391653/step, 1.52788 hours remaining, 113.578125 MB of memory in use. ENERGY: 1095600 624.3871 1817.3943 1943.9935 112.5873 0.1181 -1076.9581 0.0000 0.0000 2691.0553 6112.5776 297.2346 3421.5223 6148.5261 295.9040 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: 4422.27, 0.00391712/step Wall: 4422.27, 0.00391712/step, 1.52789 hours remaining, 113.578125 MB of memory in use. ENERGY: 1095800 625.2152 1863.2844 1956.1295 116.9382 0.5713 -1093.5751 0.0000 0.0000 2625.0909 6093.6543 289.9486 3468.5634 6125.4954 296.0913 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: 4423.05, 0.00391158/step Wall: 4423.05, 0.00391158/step, 1.52551 hours remaining, 113.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1096000 637.1206 1803.7816 1980.2729 103.2450 1.1782 -1090.7196 0.0000 0.0000 2689.2324 6124.1113 297.0332 3434.8789 6155.4771 294.3211 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: 4423.83, 0.00391834/step Wall: 4423.83, 0.00391834/step, 1.52794 hours remaining, 113.578125 MB of memory in use. ENERGY: 1096200 664.6768 1815.0077 1958.3682 102.8990 1.6836 -1119.3838 0.0000 0.0000 2711.3397 6134.5912 299.4750 3423.2515 6168.3985 295.9466 LDB: ============= START OF LOAD BALANCING ============== 4426.53 LDB: ============== END OF LOAD BALANCING =============== 4426.53 LDB: =============== DONE WITH MIGRATION ================ 4426.53 LDB: ============= START OF LOAD BALANCING ============== 4426.93 LDB: ============== END OF LOAD BALANCING =============== 4426.93 LDB: =============== DONE WITH MIGRATION ================ 4426.93 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: 4424.62, 0.00392365/step Wall: 4424.62, 0.00392365/step, 1.52979 hours remaining, 113.578125 MB of memory in use. ENERGY: 1096400 664.0248 1857.8948 1928.4866 90.4326 1.0763 -1078.6956 0.0000 0.0000 2698.4595 6161.6790 298.0524 3463.2195 6195.7068 298.3385 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: 4425.4, 0.003916/step Wall: 4425.4, 0.003916/step, 1.52659 hours remaining, 113.578125 MB of memory in use. ENERGY: 1096600 662.1978 1825.6023 1965.9983 95.6170 0.9662 -1083.7945 0.0000 0.0000 2707.0050 6173.5922 298.9962 3466.5871 6207.5157 298.6017 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: 4426.18, 0.00390967/step Wall: 4426.18, 0.00390967/step, 1.5239 hours remaining, 113.578125 MB of memory in use. ENERGY: 1096800 642.4667 1877.4750 1961.8869 106.7300 0.0593 -1106.3663 0.0000 0.0000 2717.5285 6199.7800 300.1586 3482.2515 6234.4903 300.2199 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: 4426.96, 0.00391657/step Wall: 4426.96, 0.00391657/step, 1.52637 hours remaining, 113.578125 MB of memory in use. ENERGY: 1097000 622.2397 1827.1707 1947.6353 108.3170 1.5299 -1078.1891 0.0000 0.0000 2767.6720 6196.3757 305.6971 3428.7036 6232.6963 298.9037 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: 4427.75, 0.00391695/step Wall: 4427.75, 0.00391695/step, 1.5263 hours remaining, 113.582031 MB of memory in use. ENERGY: 1097200 654.6439 1893.3944 1954.1702 105.1383 1.9456 -1095.7834 0.0000 0.0000 2637.0280 6150.5371 291.2671 3513.5090 6181.1199 299.7300 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: 4428.53, 0.00391832/step Wall: 4428.53, 0.00391832/step, 1.52662 hours remaining, 113.582031 MB of memory in use. ENERGY: 1097400 652.6248 1912.2776 1952.0685 101.4712 0.4906 -1116.1508 0.0000 0.0000 2634.7406 6137.5225 291.0144 3502.7819 6169.5733 296.9888 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: 4429.32, 0.00391829/step Wall: 4429.32, 0.00391829/step, 1.52639 hours remaining, 113.582031 MB of memory in use. ENERGY: 1097600 642.1987 1813.5584 1947.0801 131.1109 0.9930 -1094.1957 0.0000 0.0000 2700.7740 6141.5193 298.3080 3440.7453 6177.1157 297.6974 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: 4430.1, 0.00390943/step Wall: 4430.1, 0.00390943/step, 1.52272 hours remaining, 113.582031 MB of memory in use. ENERGY: 1097800 633.3439 1792.8459 1949.1843 103.9014 1.0200 -1070.9831 0.0000 0.0000 2720.8085 6130.1209 300.5209 3409.3123 6163.4192 296.1960 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: 4430.88, 0.003918/step Wall: 4430.88, 0.003918/step, 1.52584 hours remaining, 113.582031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1098000 656.6921 1833.1623 1960.5581 105.5490 0.3766 -1117.2813 0.0000 0.0000 2710.4413 6149.4981 299.3758 3439.0568 6182.8237 295.2449 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: 4431.66, 0.00391783/step Wall: 4431.66, 0.00391783/step, 1.52556 hours remaining, 113.582031 MB of memory in use. ENERGY: 1098200 656.7879 1878.2153 1909.6601 107.3203 0.7876 -1071.7350 0.0000 0.0000 2724.8731 6205.9093 300.9698 3481.0362 6239.9253 299.2130 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: 4432.45, 0.00391781/step Wall: 4432.45, 0.00391781/step, 1.52534 hours remaining, 113.582031 MB of memory in use. ENERGY: 1098400 658.6833 1913.2020 1952.1413 108.7823 1.1449 -1099.6833 0.0000 0.0000 2695.3706 6229.6412 297.7112 3534.2705 6258.7788 299.6853 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: 4433.23, 0.00391681/step Wall: 4433.23, 0.00391681/step, 1.52473 hours remaining, 113.582031 MB of memory in use. ENERGY: 1098600 657.9129 1871.7075 1969.7583 107.2186 2.4227 -1163.1800 0.0000 0.0000 2772.6700 6218.5099 306.2491 3445.8399 6252.2665 301.5341 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: 4434.01, 0.00391073/step Wall: 4434.01, 0.00391073/step, 1.52214 hours remaining, 113.582031 MB of memory in use. ENERGY: 1098800 616.5052 1855.4832 1949.5436 113.1824 2.5577 -1081.1049 0.0000 0.0000 2686.6647 6142.8319 296.7496 3456.1672 6176.1300 299.0840 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: 4434.8, 0.00391737/step Wall: 4434.8, 0.00391737/step, 1.52451 hours remaining, 113.582031 MB of memory in use. ENERGY: 1099000 694.8793 1799.6569 1954.5972 112.9480 1.2880 -1076.8356 0.0000 0.0000 2718.0788 6204.6127 300.2194 3486.5338 6237.1147 298.9907 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: 4435.58, 0.00391592/step Wall: 4435.58, 0.00391592/step, 1.52373 hours remaining, 113.582031 MB of memory in use. ENERGY: 1099200 672.0893 1936.4840 1956.1016 118.4581 0.0846 -1115.6849 0.0000 0.0000 2695.4433 6262.9759 297.7192 3567.5327 6296.9277 303.0181 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: 4436.36, 0.00391625/step Wall: 4436.36, 0.00391625/step, 1.52364 hours remaining, 113.582031 MB of memory in use. ENERGY: 1099400 688.5923 1858.1690 1940.9379 115.5200 0.9767 -1085.1691 0.0000 0.0000 2717.0176 6236.0444 300.1022 3519.0269 6267.1331 303.0468 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: 4437.15, 0.00391096/step Wall: 4437.15, 0.00391096/step, 1.52136 hours remaining, 113.582031 MB of memory in use. ENERGY: 1099600 650.6431 1881.8703 1963.8989 118.6370 0.3848 -1124.6665 0.0000 0.0000 2732.1370 6222.9047 301.7721 3490.7677 6254.5838 301.0765 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: 4437.93, 0.00391849/step Wall: 4437.93, 0.00391849/step, 1.52407 hours remaining, 113.582031 MB of memory in use. ENERGY: 1099800 668.4489 1873.1105 1978.7066 105.4357 -0.1765 -1132.6471 0.0000 0.0000 2722.5292 6215.4074 300.7109 3492.8781 6250.1398 300.4082 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: 4438.71, 0.00392743/step Wall: 4438.71, 0.00392743/step, 1.52733 hours remaining, 113.679688 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1100000 689.4802 1891.1807 1953.5388 102.2975 1.4389 -1087.6929 0.0000 0.0000 2663.5783 6213.8215 294.1996 3550.2432 6244.2404 301.5737 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1100000 WRITING COORDINATES TO DCD FILE MD.1.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: 4443.3, 0.0229209/step Wall: 4443.3, 0.0229209/step, 8.91241 hours remaining, 113.679688 MB of memory in use. ENERGY: 1100200 635.4806 1870.7468 1939.8053 100.6659 0.5042 -1096.1099 0.0000 0.0000 2779.8666 6230.9595 307.0440 3451.0930 6269.8945 301.2630 LDB: ============= START OF LOAD BALANCING ============== 4446 LDB: ============== END OF LOAD BALANCING =============== 4446 LDB: =============== DONE WITH MIGRATION ================ 4446 LDB: ============= START OF LOAD BALANCING ============== 4446.39 LDB: ============== END OF LOAD BALANCING =============== 4446.39 LDB: =============== DONE WITH MIGRATION ================ 4446.39 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: 4444.08, 0.00391568/step Wall: 4444.08, 0.00391568/step, 1.52233 hours remaining, 113.679688 MB of memory in use. ENERGY: 1100400 676.6434 1855.2525 1958.0798 106.7814 0.5907 -1106.9339 0.0000 0.0000 2732.6510 6223.0650 301.8289 3490.4140 6255.2666 301.1240 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: 4444.87, 0.00391932/step Wall: 4444.87, 0.00391932/step, 1.52353 hours remaining, 113.746094 MB of memory in use. ENERGY: 1100600 655.3899 1869.2293 1983.1894 109.7869 -0.3156 -1101.1815 0.0000 0.0000 2731.6879 6247.7863 301.7225 3516.0985 6280.0669 302.9687 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: 4445.65, 0.00391785/step Wall: 4445.65, 0.00391785/step, 1.52274 hours remaining, 113.746094 MB of memory in use. ENERGY: 1100800 646.5701 1823.9194 1979.3110 122.8892 0.5182 -1096.4238 0.0000 0.0000 2765.4908 6242.2750 305.4562 3476.7841 6271.4096 302.4215 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: 4446.43, 0.00391822/step Wall: 4446.43, 0.00391822/step, 1.52266 hours remaining, 113.746094 MB of memory in use. ENERGY: 1101000 698.5689 1824.4874 1934.9698 116.7147 1.4858 -1098.3236 0.0000 0.0000 2710.7692 6188.6722 299.4120 3477.9029 6222.5980 300.9331 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: 4447.22, 0.00391839/step Wall: 4447.22, 0.00391839/step, 1.52251 hours remaining, 113.746094 MB of memory in use. ENERGY: 1101200 670.8504 1820.2887 1938.6269 108.9806 -0.5140 -1101.2542 0.0000 0.0000 2740.6894 6177.6678 302.7168 3436.9785 6212.1811 299.2254 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: 4448, 0.00391823/step Wall: 4448, 0.00391823/step, 1.52223 hours remaining, 113.746094 MB of memory in use. ENERGY: 1101400 621.4809 1827.0383 1969.5283 116.0854 -0.0317 -1087.1906 0.0000 0.0000 2736.9371 6183.8478 302.3023 3446.9108 6217.2289 297.7780 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: 4448.78, 0.00391957/step Wall: 4448.78, 0.00391957/step, 1.52254 hours remaining, 113.746094 MB of memory in use. ENERGY: 1101600 693.2985 1866.9327 1954.5410 109.5502 -0.8452 -1122.1651 0.0000 0.0000 2706.9107 6208.2228 298.9858 3501.3122 6241.7140 300.2558 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: 4449.57, 0.00391555/step Wall: 4449.57, 0.00391555/step, 1.52076 hours remaining, 113.746094 MB of memory in use. ENERGY: 1101800 626.2951 1873.6203 1974.2485 118.6021 0.8717 -1117.0371 0.0000 0.0000 2704.6984 6181.2991 298.7415 3476.6007 6211.7814 299.7575 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: 4450.35, 0.00391522/step Wall: 4450.35, 0.00391522/step, 1.52041 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1102000 646.0285 1841.3618 1959.3296 104.5239 0.8323 -1089.5618 0.0000 0.0000 2715.0787 6177.5930 299.8880 3462.5144 6210.9564 299.2457 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: 4451.13, 0.00391021/step Wall: 4451.13, 0.00391021/step, 1.51825 hours remaining, 113.746094 MB of memory in use. ENERGY: 1102200 640.6808 1907.1583 1977.6595 113.6481 0.7857 -1112.5990 0.0000 0.0000 2691.2311 6218.5645 297.2540 3527.3335 6251.3507 300.2087 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: 4451.92, 0.0039138/step Wall: 4451.92, 0.0039138/step, 1.51943 hours remaining, 113.746094 MB of memory in use. ENERGY: 1102400 653.3356 1859.2593 1959.4384 112.3377 0.4425 -1060.5006 0.0000 0.0000 2715.3744 6239.6873 299.9207 3524.3129 6273.9937 301.2564 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: 4452.7, 0.00391339/step Wall: 4452.7, 0.00391339/step, 1.51905 hours remaining, 113.746094 MB of memory in use. ENERGY: 1102600 650.6819 1832.7792 1965.6926 116.5115 0.9392 -1067.9536 0.0000 0.0000 2771.5131 6270.1640 306.1213 3498.6509 6305.9382 301.6816 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: 4453.48, 0.00391688/step Wall: 4453.48, 0.00391688/step, 1.52018 hours remaining, 113.746094 MB of memory in use. ENERGY: 1102800 723.2342 1882.4060 1974.5259 107.1481 1.1979 -1140.0037 0.0000 0.0000 2701.2579 6249.7664 298.3615 3548.5086 6279.4910 304.5872 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: 4454.26, 0.00390713/step Wall: 4454.26, 0.00390713/step, 1.51619 hours remaining, 113.746094 MB of memory in use. ENERGY: 1103000 644.2835 1876.9779 1972.5005 111.7462 1.7059 -1090.9330 0.0000 0.0000 2712.2039 6228.4850 299.5705 3516.2811 6261.7471 301.4266 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: 4455.05, 0.00391541/step Wall: 4455.05, 0.00391541/step, 1.51918 hours remaining, 113.746094 MB of memory in use. ENERGY: 1103200 697.1815 1822.9791 1942.3588 113.2308 0.8604 -1106.8884 0.0000 0.0000 2776.7039 6246.4260 306.6947 3469.7221 6282.7381 302.1731 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: 4455.83, 0.00391243/step Wall: 4455.83, 0.00391243/step, 1.51781 hours remaining, 113.746094 MB of memory in use. ENERGY: 1103400 660.0330 1859.1119 1966.0307 106.1827 0.6784 -1075.1331 0.0000 0.0000 2737.8922 6254.7956 302.4078 3516.9035 6288.0541 302.4529 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: 4456.61, 0.00391623/step Wall: 4456.61, 0.00391623/step, 1.51906 hours remaining, 113.746094 MB of memory in use. ENERGY: 1103600 689.4380 1879.6231 1953.8859 94.4846 -0.1413 -1097.8168 0.0000 0.0000 2791.7848 6311.2583 308.3604 3519.4735 6344.5193 305.4417 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: 4457.39, 0.00391496/step Wall: 4457.39, 0.00391496/step, 1.51835 hours remaining, 113.746094 MB of memory in use. ENERGY: 1103800 668.6791 1836.7186 1951.4245 113.1082 1.6496 -1062.3944 0.0000 0.0000 2841.2884 6350.4741 313.8282 3509.1856 6388.7954 307.6444 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: 4458.18, 0.00390947/step Wall: 4458.18, 0.00390947/step, 1.51601 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1104000 709.4485 1884.2605 1932.9455 110.7230 0.2684 -1096.3264 0.0000 0.0000 2804.3884 6345.7079 309.7525 3541.3195 6383.1391 307.2928 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: 4458.96, 0.00391777/step Wall: 4458.96, 0.00391777/step, 1.51901 hours remaining, 113.746094 MB of memory in use. ENERGY: 1104200 649.2199 1852.3481 1945.2227 109.0397 1.8618 -1098.9045 0.0000 0.0000 2835.8094 6294.5971 313.2230 3458.7877 6331.4822 307.4116 LDB: ============= START OF LOAD BALANCING ============== 4461.66 LDB: ============== END OF LOAD BALANCING =============== 4461.66 LDB: =============== DONE WITH MIGRATION ================ 4461.66 LDB: ============= START OF LOAD BALANCING ============== 4462.05 LDB: ============== END OF LOAD BALANCING =============== 4462.05 LDB: =============== DONE WITH MIGRATION ================ 4462.05 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: 4459.74, 0.00391793/step Wall: 4459.74, 0.00391793/step, 1.51885 hours remaining, 113.746094 MB of memory in use. ENERGY: 1104400 657.2898 1851.7651 1942.2142 107.9341 2.3166 -1100.3465 0.0000 0.0000 2790.3189 6251.4922 308.1985 3461.1733 6287.1671 303.6117 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: 4460.53, 0.00391428/step Wall: 4460.53, 0.00391428/step, 1.51722 hours remaining, 113.746094 MB of memory in use. ENERGY: 1104600 675.0190 1875.7792 1959.3363 104.5589 1.8952 -1096.5091 0.0000 0.0000 2780.2599 6300.3395 307.0874 3520.0796 6332.2512 304.2382 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: 4461.31, 0.00391347/step Wall: 4461.31, 0.00391347/step, 1.51669 hours remaining, 113.746094 MB of memory in use. ENERGY: 1104800 666.4318 1839.5480 1940.8587 120.8964 2.5389 -1075.7084 0.0000 0.0000 2796.0144 6290.5799 308.8276 3494.5654 6324.9705 305.8770 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: 4462.09, 0.00390727/step Wall: 4462.09, 0.00390727/step, 1.51407 hours remaining, 113.746094 MB of memory in use. ENERGY: 1105000 665.4687 1907.4852 1949.4186 119.1460 1.1332 -1114.7247 0.0000 0.0000 2784.4468 6312.3738 307.5499 3527.9270 6345.7143 305.8695 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: 4462.87, 0.0039127/step Wall: 4462.87, 0.0039127/step, 1.51595 hours remaining, 113.746094 MB of memory in use. ENERGY: 1105200 684.5877 1903.4304 1975.0801 118.7942 1.4323 -1125.5153 0.0000 0.0000 2797.7433 6355.5527 309.0185 3557.8094 6388.5534 308.8048 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: 4463.66, 0.00391363/step Wall: 4463.66, 0.00391363/step, 1.5161 hours remaining, 113.746094 MB of memory in use. ENERGY: 1105400 675.1687 1860.9806 1970.8694 97.8554 1.0196 -1101.3092 0.0000 0.0000 2826.1901 6330.7746 312.1606 3504.5845 6365.1496 309.6837 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: 4464.44, 0.00391332/step Wall: 4464.44, 0.00391332/step, 1.51576 hours remaining, 113.746094 MB of memory in use. ENERGY: 1105600 660.4206 1871.4252 1960.6634 116.4092 1.2018 -1105.2146 0.0000 0.0000 2813.7392 6318.6449 310.7853 3504.9057 6352.9552 307.9196 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: 4465.22, 0.00390833/step Wall: 4465.22, 0.00390833/step, 1.51361 hours remaining, 113.746094 MB of memory in use. ENERGY: 1105800 630.8453 1911.8528 1967.4680 110.2742 1.8932 -1125.3880 0.0000 0.0000 2749.7667 6246.7122 303.7194 3496.9455 6280.0926 305.3537 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: 4466, 0.00391386/step Wall: 4466, 0.00391386/step, 1.51553 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1106000 659.0533 1847.2722 1939.3135 108.1401 2.1558 -1091.0634 0.0000 0.0000 2752.0989 6216.9703 303.9770 3464.8714 6249.9164 302.2677 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: 4466.79, 0.00391354/step Wall: 4466.79, 0.00391354/step, 1.51519 hours remaining, 113.746094 MB of memory in use. ENERGY: 1106200 638.5533 1838.1581 1957.7817 114.1780 1.4104 -1081.4708 0.0000 0.0000 2735.9661 6204.5767 302.1951 3468.6107 6240.9152 300.4904 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: 4467.57, 0.00391405/step Wall: 4467.57, 0.00391405/step, 1.51517 hours remaining, 113.746094 MB of memory in use. ENERGY: 1106400 660.5496 1843.6924 1970.2067 108.5336 1.1035 -1106.1191 0.0000 0.0000 2669.1887 6147.1554 294.8193 3477.9667 6177.8757 299.6599 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: 4468.35, 0.00391465/step Wall: 4468.35, 0.00391465/step, 1.51519 hours remaining, 113.746094 MB of memory in use. ENERGY: 1106600 661.8468 1860.7926 1955.9268 98.5653 2.4887 -1124.2041 0.0000 0.0000 2680.2653 6135.6814 296.0428 3455.4161 6166.6537 297.4466 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: 4469.13, 0.00390763/step Wall: 4469.13, 0.00390763/step, 1.51225 hours remaining, 113.746094 MB of memory in use. ENERGY: 1106800 704.6240 1879.4523 1928.3779 107.7028 1.4986 -1114.4764 0.0000 0.0000 2638.2644 6145.4437 291.4037 3507.1793 6177.2160 297.9470 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: 4469.92, 0.00391579/step Wall: 4469.92, 0.00391579/step, 1.51519 hours remaining, 113.746094 MB of memory in use. ENERGY: 1107000 674.9517 1829.4383 1944.3422 111.8081 1.8781 -1100.9331 0.0000 0.0000 2671.1827 6132.6680 295.0396 3461.4854 6165.4148 298.3387 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: 4470.7, 0.00391248/step Wall: 4470.7, 0.00391248/step, 1.51369 hours remaining, 113.746094 MB of memory in use. ENERGY: 1107200 639.7986 1813.9253 1946.8880 103.9550 1.4433 -1099.7528 0.0000 0.0000 2704.4923 6110.7496 298.7187 3406.2574 6144.0045 295.4746 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: 4471.48, 0.00391261/step Wall: 4471.48, 0.00391261/step, 1.51353 hours remaining, 113.746094 MB of memory in use. ENERGY: 1107400 659.4197 1824.0991 1974.1423 117.6609 1.3681 -1122.8286 0.0000 0.0000 2691.4193 6145.2809 297.2748 3453.8616 6180.5121 295.0583 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: 4472.26, 0.0039074/step Wall: 4472.26, 0.0039074/step, 1.5113 hours remaining, 113.746094 MB of memory in use. ENERGY: 1107600 653.9405 1854.3958 1973.3032 104.1806 0.4198 -1105.2499 0.0000 0.0000 2692.5546 6173.5446 297.4002 3480.9900 6205.0455 298.3577 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: 4473.05, 0.00391309/step Wall: 4473.05, 0.00391309/step, 1.51328 hours remaining, 113.746094 MB of memory in use. ENERGY: 1107800 637.0375 1803.0122 1973.6165 111.5286 2.2304 -1090.4665 0.0000 0.0000 2722.2554 6159.2142 300.6807 3436.9588 6193.3395 297.3736 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: 4473.83, 0.00391274/step Wall: 4473.83, 0.00391274/step, 1.51293 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1108000 677.3311 1845.3760 1978.2729 102.8401 0.4608 -1096.8168 0.0000 0.0000 2645.7982 6153.2623 292.2358 3507.4641 6185.4250 297.3310 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: 4474.61, 0.00391265/step Wall: 4474.61, 0.00391265/step, 1.51267 hours remaining, 113.746094 MB of memory in use. ENERGY: 1108200 674.7972 1839.1940 1945.2751 103.0104 0.8903 -1085.1650 0.0000 0.0000 2761.1629 6239.1649 304.9781 3478.0020 6272.4306 299.8029 LDB: ============= START OF LOAD BALANCING ============== 4477.31 LDB: ============== END OF LOAD BALANCING =============== 4477.31 LDB: =============== DONE WITH MIGRATION ================ 4477.31 LDB: ============= START OF LOAD BALANCING ============== 4477.7 LDB: ============== END OF LOAD BALANCING =============== 4477.7 LDB: =============== DONE WITH MIGRATION ================ 4477.7 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: 4475.39, 0.00391673/step Wall: 4475.39, 0.00391673/step, 1.51403 hours remaining, 113.746094 MB of memory in use. ENERGY: 1108400 690.6042 1857.3712 1968.7718 113.3972 1.5013 -1078.1176 0.0000 0.0000 2704.6427 6258.1709 298.7353 3553.5282 6287.1852 301.7713 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: 4476.18, 0.00390589/step Wall: 4476.18, 0.00390589/step, 1.50962 hours remaining, 113.746094 MB of memory in use. ENERGY: 1108600 660.5050 1863.1464 1970.1987 122.9538 0.6945 -1099.6413 0.0000 0.0000 2707.2735 6225.1306 299.0259 3517.8571 6257.8332 301.6889 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: 4476.96, 0.00391184/step Wall: 4476.96, 0.00391185/step, 1.51171 hours remaining, 113.746094 MB of memory in use. ENERGY: 1108800 676.5785 1835.1551 1966.3380 116.6272 0.8799 -1034.7832 0.0000 0.0000 2669.3275 6230.1230 294.8347 3560.7955 6263.1230 300.1909 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: 4477.74, 0.00392917/step Wall: 4477.74, 0.00392917/step, 1.51819 hours remaining, 113.746094 MB of memory in use. ENERGY: 1109000 664.2902 1911.5282 1922.0470 113.0506 0.6614 -1039.4617 0.0000 0.0000 2702.4984 6274.6140 298.4985 3572.1157 6306.2696 300.5684 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: 4478.53, 0.00391568/step Wall: 4478.53, 0.00391568/step, 1.51276 hours remaining, 113.746094 MB of memory in use. ENERGY: 1109200 640.3020 1828.7314 1983.1901 107.0875 0.2414 -1039.3436 0.0000 0.0000 2718.9046 6239.1135 300.3106 3520.2089 6272.8360 301.7229 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: 4479.31, 0.00390705/step Wall: 4479.31, 0.00390705/step, 1.50921 hours remaining, 113.746094 MB of memory in use. ENERGY: 1109400 668.7428 1861.7348 1941.6968 106.3331 2.3581 -1059.7366 0.0000 0.0000 2758.7575 6279.8866 304.7125 3521.1290 6313.7622 302.5637 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: 4480.09, 0.00391245/step Wall: 4480.09, 0.00391245/step, 1.51108 hours remaining, 113.746094 MB of memory in use. ENERGY: 1109600 653.7516 1869.5798 1958.4284 117.8656 1.9914 -1078.8638 0.0000 0.0000 2781.8268 6304.5798 307.2605 3522.7530 6341.7658 304.6801 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: 4480.87, 0.00391477/step Wall: 4480.87, 0.00391477/step, 1.51176 hours remaining, 113.746094 MB of memory in use. ENERGY: 1109800 632.9905 1897.2217 1959.9034 113.4479 1.2970 -1081.4674 0.0000 0.0000 2779.5245 6302.9176 307.0062 3523.3931 6337.9559 306.8054 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: 4481.66, 0.0039134/step Wall: 4481.66, 0.0039134/step, 1.51101 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1110000 678.9833 1856.4329 1950.1024 114.8447 1.2005 -1050.8860 0.0000 0.0000 2766.2391 6316.9169 305.5388 3550.6778 6352.5659 305.5966 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1110000 WRITING COORDINATES TO DCD FILE MD.1.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: 4482.48, 0.00412163/step Wall: 4482.48, 0.00412163/step, 1.59118 hours remaining, 113.746094 MB of memory in use. ENERGY: 1110200 648.4295 1868.1962 1948.7857 114.6101 0.3690 -1058.2781 0.0000 0.0000 2737.7789 6259.8913 302.3953 3522.1124 6293.1586 303.8567 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: 4483.26, 0.00390808/step Wall: 4483.26, 0.00390808/step, 1.50852 hours remaining, 113.746094 MB of memory in use. ENERGY: 1110400 644.2343 1873.6892 1943.8240 95.1011 1.7924 -1082.1076 0.0000 0.0000 2776.9852 6253.5185 306.7257 3476.5333 6287.6542 301.7281 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: 4484.04, 0.00391544/step Wall: 4484.04, 0.00391544/step, 1.51114 hours remaining, 113.746094 MB of memory in use. ENERGY: 1110600 696.4475 1847.1877 1927.6101 106.4814 0.6682 -1080.7271 0.0000 0.0000 2720.5663 6218.2340 300.4941 3497.6678 6254.7140 303.5364 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: 4484.83, 0.00391459/step Wall: 4484.83, 0.00391459/step, 1.5106 hours remaining, 113.746094 MB of memory in use. ENERGY: 1110800 696.7255 1824.0426 1949.3655 95.5239 1.8837 -1120.6932 0.0000 0.0000 2716.3242 6163.1722 300.0256 3446.8480 6197.3420 300.4223 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: 4485.61, 0.00391301/step Wall: 4485.61, 0.00391301/step, 1.50977 hours remaining, 113.746094 MB of memory in use. ENERGY: 1111000 627.3843 1844.4034 1945.1336 115.9603 1.9299 -1043.5049 0.0000 0.0000 2634.1862 6125.4928 290.9532 3491.3066 6157.8205 298.2243 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: 4486.39, 0.00391519/step Wall: 4486.39, 0.00391519/step, 1.51039 hours remaining, 113.746094 MB of memory in use. ENERGY: 1111200 654.8114 1850.5449 1954.6900 104.8054 2.2624 -1094.4361 0.0000 0.0000 2601.8731 6074.5511 287.3841 3472.6779 6104.6045 293.3370 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: 4487.17, 0.00390709/step Wall: 4487.17, 0.00390709/step, 1.50705 hours remaining, 113.746094 MB of memory in use. ENERGY: 1111400 665.1015 1857.3519 1914.6417 108.3052 1.8208 -1093.6950 0.0000 0.0000 2670.0879 6123.6139 294.9186 3453.5261 6156.2799 294.8780 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: 4487.96, 0.00391467/step Wall: 4487.96, 0.00391467/step, 1.50976 hours remaining, 113.746094 MB of memory in use. ENERGY: 1111600 647.6899 1829.9038 1940.5717 118.1637 1.9648 -1109.0298 0.0000 0.0000 2689.0031 6118.2673 297.0079 3429.2642 6150.7739 297.3050 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: 4488.74, 0.00391496/step Wall: 4488.74, 0.00391496/step, 1.50965 hours remaining, 113.746094 MB of memory in use. ENERGY: 1111800 685.8340 1856.1860 1926.3023 92.2384 2.3175 -1079.9471 0.0000 0.0000 2700.7834 6183.7145 298.3090 3482.9311 6217.1853 297.1089 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: 4489.52, 0.00391635/step Wall: 4489.52, 0.00391635/step, 1.50997 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1112000 650.8110 1825.8885 1962.3138 111.0990 1.8263 -1078.5795 0.0000 0.0000 2708.9408 6182.2999 299.2101 3473.3591 6215.5246 297.9534 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: 4490.31, 0.00390877/step Wall: 4490.31, 0.00390877/step, 1.50683 hours remaining, 113.746094 MB of memory in use. ENERGY: 1112200 657.8311 1819.9504 1949.7418 112.7924 1.3305 -1088.9228 0.0000 0.0000 2728.1671 6180.8905 301.3337 3452.7234 6215.0917 299.5189 LDB: ============= START OF LOAD BALANCING ============== 4493.01 LDB: ============== END OF LOAD BALANCING =============== 4493.01 LDB: =============== DONE WITH MIGRATION ================ 4493.01 LDB: ============= START OF LOAD BALANCING ============== 4493.4 LDB: ============== END OF LOAD BALANCING =============== 4493.4 LDB: =============== DONE WITH MIGRATION ================ 4493.4 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: 4491.09, 0.00391924/step Wall: 4491.09, 0.00391923/step, 1.51065 hours remaining, 113.746094 MB of memory in use. ENERGY: 1112400 672.8067 1823.7999 1955.1671 109.5629 1.7886 -1094.5555 0.0000 0.0000 2729.7614 6198.3311 301.5097 3468.5697 6230.0252 300.8174 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: 4491.87, 0.00391717/step Wall: 4491.87, 0.00391718/step, 1.50964 hours remaining, 113.746094 MB of memory in use. ENERGY: 1112600 684.9070 1863.3723 1948.7121 113.8795 1.9874 -1094.8320 0.0000 0.0000 2714.9541 6232.9804 299.8742 3518.0263 6265.4439 299.5814 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: 4492.66, 0.00391394/step Wall: 4492.66, 0.00391394/step, 1.50817 hours remaining, 113.746094 MB of memory in use. ENERGY: 1112800 677.3684 1861.9108 1961.1820 116.2086 1.8728 -1145.6092 0.0000 0.0000 2733.0596 6205.9931 301.8740 3472.9334 6239.1760 301.0915 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: 4493.44, 0.00391474/step Wall: 4493.44, 0.00391474/step, 1.50826 hours remaining, 113.746094 MB of memory in use. ENERGY: 1113000 699.4499 1829.7284 1940.6178 112.8721 2.6282 -1125.0809 0.0000 0.0000 2721.8419 6182.0574 300.6350 3460.2155 6215.5107 300.4784 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: 4494.22, 0.00390938/step Wall: 4494.22, 0.00390938/step, 1.50598 hours remaining, 113.746094 MB of memory in use. ENERGY: 1113200 632.9499 1861.2941 1964.3556 103.2469 1.5037 -1095.8134 0.0000 0.0000 2710.3422 6177.8790 299.3648 3467.5368 6213.5920 300.8883 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: 4495, 0.00391523/step Wall: 4495, 0.00391523/step, 1.50801 hours remaining, 113.746094 MB of memory in use. ENERGY: 1113400 636.8999 1808.9177 1935.1916 109.6318 1.9497 -1113.4256 0.0000 0.0000 2725.6313 6104.7964 301.0536 3379.1651 6138.9879 299.0596 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: 4495.79, 0.00391374/step Wall: 4495.79, 0.00391374/step, 1.50723 hours remaining, 113.746094 MB of memory in use. ENERGY: 1113600 648.3638 1869.6382 1927.9459 93.1703 1.4601 -1093.3339 0.0000 0.0000 2688.8546 6136.0992 296.9915 3447.2445 6170.3299 297.0421 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: 4496.57, 0.00391344/step Wall: 4496.57, 0.00391344/step, 1.50689 hours remaining, 113.746094 MB of memory in use. ENERGY: 1113800 659.1183 1855.2985 1952.9130 124.3962 2.1703 -1104.2064 0.0000 0.0000 2695.7653 6185.4552 297.7548 3489.6899 6215.5938 298.0057 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: 4497.35, 0.00391115/step Wall: 4497.35, 0.00391115/step, 1.50579 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1114000 676.3641 1883.9130 1958.2867 117.0596 2.6840 -1119.2515 0.0000 0.0000 2702.3029 6221.3588 298.4769 3519.0559 6253.3484 300.9033 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: 4498.13, 0.00391207/step Wall: 4498.13, 0.00391207/step, 1.50593 hours remaining, 113.746094 MB of memory in use. ENERGY: 1114200 693.9914 1851.9533 1959.9591 113.5070 2.0250 -1135.9773 0.0000 0.0000 2762.8745 6248.3330 305.1672 3485.4585 6285.2230 302.4276 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: 4498.92, 0.00391466/step Wall: 4498.92, 0.00391466/step, 1.50671 hours remaining, 113.746094 MB of memory in use. ENERGY: 1114400 713.1783 1823.2055 1949.4420 107.8851 -0.0192 -1115.7134 0.0000 0.0000 2743.9402 6221.9184 303.0758 3477.9783 6254.3791 303.0208 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: 4499.7, 0.00391302/step Wall: 4499.7, 0.00391302/step, 1.50586 hours remaining, 113.746094 MB of memory in use. ENERGY: 1114600 637.2183 1876.9109 1942.0186 111.9630 1.4343 -1052.4758 0.0000 0.0000 2769.2945 6286.3639 305.8763 3517.0694 6321.6978 303.0453 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: 4500.48, 0.00391418/step Wall: 4500.48, 0.00391418/step, 1.50609 hours remaining, 113.746094 MB of memory in use. ENERGY: 1114800 699.1459 1819.0999 1942.2556 101.1697 1.1002 -1045.1614 0.0000 0.0000 2723.9170 6241.5269 300.8642 3517.6099 6273.9805 303.5299 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: 4501.27, 0.00393288/step Wall: 4501.27, 0.00393288/step, 1.51307 hours remaining, 113.746094 MB of memory in use. ENERGY: 1115000 679.1840 1863.8808 1957.1507 105.4401 1.7671 -1076.2681 0.0000 0.0000 2714.3503 6245.5049 299.8076 3531.1546 6277.5453 302.3113 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: 4502.05, 0.0039231/step Wall: 4502.05, 0.0039231/step, 1.50909 hours remaining, 113.746094 MB of memory in use. ENERGY: 1115200 635.8250 1894.7539 1962.2149 112.8959 1.7348 -1079.5429 0.0000 0.0000 2723.8006 6251.6823 300.8514 3527.8817 6284.2046 302.9648 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: 4502.84, 0.00392017/step Wall: 4502.84, 0.00392017/step, 1.50774 hours remaining, 113.746094 MB of memory in use. ENERGY: 1115400 697.6402 1859.4956 1976.5338 100.3141 0.8344 -1094.4508 0.0000 0.0000 2695.4226 6235.7900 297.7169 3540.3673 6269.6062 302.5890 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: 4503.62, 0.00391454/step Wall: 4503.62, 0.00391454/step, 1.50536 hours remaining, 113.746094 MB of memory in use. ENERGY: 1115600 656.3059 1938.5001 1994.6014 107.1428 1.1108 -1088.8145 0.0000 0.0000 2691.5626 6300.4091 297.2906 3608.8466 6331.6770 303.3424 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: 4504.4, 0.00391469/step Wall: 4504.4, 0.00391469/step, 1.5052 hours remaining, 113.746094 MB of memory in use. ENERGY: 1115800 681.7203 1850.4403 1938.6460 100.7664 -0.1195 -1053.9460 0.0000 0.0000 2740.6335 6258.1411 302.7106 3517.5076 6290.6805 303.0375 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: 4505.19, 0.00390926/step Wall: 4505.19, 0.00390926/step, 1.50289 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1116000 698.6285 1845.7341 1948.1678 101.4942 0.0177 -1120.8689 0.0000 0.0000 2714.2429 6187.4164 299.7957 3473.1735 6219.6178 301.5656 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: 4505.97, 0.0039162/step Wall: 4505.97, 0.0039162/step, 1.50534 hours remaining, 113.746094 MB of memory in use. ENERGY: 1116200 647.6845 1889.7352 1975.4944 104.8532 0.5037 -1131.6548 0.0000 0.0000 2756.7779 6243.3942 304.4938 3486.6163 6275.5516 302.8337 LDB: ============= START OF LOAD BALANCING ============== 4508.67 LDB: ============== END OF LOAD BALANCING =============== 4508.67 LDB: =============== DONE WITH MIGRATION ================ 4508.67 LDB: ============= START OF LOAD BALANCING ============== 4509.06 LDB: ============== END OF LOAD BALANCING =============== 4509.06 LDB: =============== DONE WITH MIGRATION ================ 4509.06 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: 4506.75, 0.003921/step Wall: 4506.75, 0.003921/step, 1.50697 hours remaining, 113.746094 MB of memory in use. ENERGY: 1116400 672.9549 1878.1295 1954.7262 100.5517 1.4095 -1111.0606 0.0000 0.0000 2759.9692 6256.6804 304.8463 3496.7113 6288.7292 303.4258 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: 4507.54, 0.00392552/step Wall: 4507.54, 0.00392552/step, 1.50849 hours remaining, 113.746094 MB of memory in use. ENERGY: 1116600 619.1034 1926.2552 1954.0741 113.6407 0.4397 -1114.8425 0.0000 0.0000 2710.9557 6209.6264 299.4326 3498.6706 6240.8626 302.4450 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: 4508.32, 0.00390876/step Wall: 4508.32, 0.00390876/step, 1.50183 hours remaining, 113.746094 MB of memory in use. ENERGY: 1116800 634.1847 1864.0962 2009.5057 109.1215 0.2577 -1118.5680 0.0000 0.0000 2710.5303 6209.1281 299.3856 3498.5978 6243.0369 301.4656 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: 4509.1, 0.00391591/step Wall: 4509.1, 0.00391591/step, 1.50436 hours remaining, 113.746094 MB of memory in use. ENERGY: 1117000 682.2863 1870.9428 1974.3195 113.3975 1.3806 -1107.7731 0.0000 0.0000 2705.9561 6240.5097 298.8804 3534.5536 6272.2551 302.7790 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: 4509.89, 0.00391534/step Wall: 4509.89, 0.00391534/step, 1.50393 hours remaining, 113.746094 MB of memory in use. ENERGY: 1117200 670.7870 1830.4793 1988.9627 107.9140 1.5720 -1121.1075 0.0000 0.0000 2791.2526 6269.8602 308.3016 3478.6076 6306.3531 303.3890 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: 4510.67, 0.0039176/step Wall: 4510.67, 0.0039176/step, 1.50458 hours remaining, 113.746094 MB of memory in use. ENERGY: 1117400 683.6794 1868.6418 1946.7912 107.5143 -0.3576 -1113.9608 0.0000 0.0000 2762.7462 6255.0546 305.1530 3492.3084 6289.8450 302.6447 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: 4511.45, 0.00391477/step Wall: 4511.45, 0.00391477/step, 1.50327 hours remaining, 113.746094 MB of memory in use. ENERGY: 1117600 663.0850 1917.2288 1960.2867 103.6545 1.1913 -1104.5431 0.0000 0.0000 2672.9672 6213.8704 295.2367 3540.9032 6245.1931 304.3328 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: 4512.23, 0.00391015/step Wall: 4512.23, 0.00391015/step, 1.50128 hours remaining, 113.746094 MB of memory in use. ENERGY: 1117800 659.3931 1867.0214 1943.9937 107.7229 0.7716 -1110.1951 0.0000 0.0000 2696.8311 6165.5388 297.8725 3468.7076 6197.8936 300.1151 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: 4513.02, 0.00391678/step Wall: 4513.02, 0.00391678/step, 1.50361 hours remaining, 113.746094 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1118000 660.2703 1867.2507 1969.2846 103.4383 0.1156 -1112.0851 0.0000 0.0000 2696.4948 6184.7691 297.8354 3488.2744 6218.2279 299.3139 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: 4513.8, 0.00391695/step Wall: 4513.8, 0.00391695/step, 1.50346 hours remaining, 113.746094 MB of memory in use. ENERGY: 1118200 673.8039 1848.3005 1946.8875 109.4100 -0.0886 -1103.7843 0.0000 0.0000 2716.5675 6191.0965 300.0525 3474.5290 6224.6233 298.8922 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: 4514.58, 0.00391913/step Wall: 4514.58, 0.00391913/step, 1.50407 hours remaining, 113.746094 MB of memory in use. ENERGY: 1118400 650.8189 1890.3923 1937.5586 114.7786 1.6970 -1115.2194 0.0000 0.0000 2722.6774 6202.7035 300.7273 3480.0260 6235.6212 300.0813 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: 4515.37, 0.00391114/step Wall: 4515.37, 0.00391114/step, 1.50079 hours remaining, 113.746094 MB of memory in use. ENERGY: 1118600 657.5009 1823.5994 1946.2107 104.0506 1.5882 -1102.3731 0.0000 0.0000 2688.1400 6118.7168 296.9126 3430.5767 6154.0453 299.8398 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: 4516.15, 0.00391705/step Wall: 4516.15, 0.00391705/step, 1.50284 hours remaining, 113.750000 MB of memory in use. ENERGY: 1118800 649.7067 1839.1134 1921.9283 118.2624 0.2781 -1122.0886 0.0000 0.0000 2688.5998 6095.8000 296.9633 3407.2002 6129.8172 294.8201 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: 4516.93, 0.00391865/step Wall: 4516.93, 0.00391865/step, 1.50324 hours remaining, 113.750000 MB of memory in use. ENERGY: 1119000 644.1884 1809.7855 1939.7065 114.0552 1.9894 -1109.9710 0.0000 0.0000 2680.4276 6080.1816 296.0607 3399.7540 6112.4447 294.2514 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: 4517.72, 0.00392683/step Wall: 4517.72, 0.00392683/step, 1.50616 hours remaining, 113.750000 MB of memory in use. ENERGY: 1119200 647.2821 1866.8227 1937.0561 116.2322 1.0072 -1091.2320 0.0000 0.0000 2643.2164 6120.3848 291.9506 3477.1684 6150.5304 293.3112 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: 4518.5, 0.00391695/step Wall: 4518.5, 0.00391695/step, 1.50215 hours remaining, 113.753906 MB of memory in use. ENERGY: 1119400 679.6484 1861.2581 1920.4303 110.5919 1.6647 -1087.9318 0.0000 0.0000 2685.5513 6171.2129 296.6266 3485.6615 6201.8990 296.0940 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: 4519.29, 0.0039119/step Wall: 4519.29, 0.0039119/step, 1.5 hours remaining, 113.753906 MB of memory in use. ENERGY: 1119600 678.6594 1857.0174 1955.4800 104.6525 0.2546 -1091.9309 0.0000 0.0000 2669.7743 6173.9073 294.8840 3504.1330 6205.6755 298.9563 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: 4520.07, 0.0039161/step Wall: 4520.07, 0.0039161/step, 1.50139 hours remaining, 113.753906 MB of memory in use. ENERGY: 1119800 666.7181 1836.4453 1946.4352 108.0293 1.5538 -1085.0468 0.0000 0.0000 2699.3486 6173.4835 298.1506 3474.1349 6205.8463 298.4130 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: 4520.85, 0.00391646/step Wall: 4520.85, 0.00391646/step, 1.50131 hours remaining, 113.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1120000 638.4033 1804.6415 1942.9995 103.7579 1.7180 -1063.7474 0.0000 0.0000 2703.3445 6131.1173 298.5919 3427.7728 6164.8358 296.9649 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1120000 WRITING COORDINATES TO DCD FILE MD.1.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: 4521.67, 0.00409686/step Wall: 4521.67, 0.00409686/step, 1.57024 hours remaining, 113.753906 MB of memory in use. ENERGY: 1120200 668.2832 1801.4200 1957.1537 113.2566 1.3478 -1096.2488 0.0000 0.0000 2692.3253 6137.5379 297.3748 3445.2125 6171.2608 296.7753 LDB: ============= START OF LOAD BALANCING ============== 4524.37 LDB: ============== END OF LOAD BALANCING =============== 4524.37 LDB: =============== DONE WITH MIGRATION ================ 4524.37 LDB: ============= START OF LOAD BALANCING ============== 4524.76 LDB: ============== END OF LOAD BALANCING =============== 4524.76 LDB: =============== DONE WITH MIGRATION ================ 4524.76 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: 4522.46, 0.00392061/step Wall: 4522.46, 0.00392061/step, 1.50246 hours remaining, 113.753906 MB of memory in use. ENERGY: 1120400 630.4657 1865.5866 1954.8376 108.2699 1.4732 -1083.4203 0.0000 0.0000 2675.7079 6152.9206 295.5394 3477.2127 6183.5425 297.5542 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: 4523.24, 0.00391147/step Wall: 4523.24, 0.00391147/step, 1.49874 hours remaining, 113.753906 MB of memory in use. ENERGY: 1120600 670.5299 1820.4504 1962.9395 117.9742 2.0495 -1095.7997 0.0000 0.0000 2657.2915 6135.4352 293.5052 3478.1437 6167.4808 298.3241 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: 4524.02, 0.00391477/step Wall: 4524.02, 0.00391477/step, 1.49979 hours remaining, 113.753906 MB of memory in use. ENERGY: 1120800 626.0141 1832.1120 1979.1952 119.2697 0.8686 -1071.2561 0.0000 0.0000 2715.0133 6201.2169 299.8808 3486.2036 6231.9712 297.9251 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: 4524.8, 0.0039146/step Wall: 4524.8, 0.0039146/step, 1.49951 hours remaining, 113.753906 MB of memory in use. ENERGY: 1121000 651.1350 1857.0037 1953.1807 101.5052 0.7006 -1105.6706 0.0000 0.0000 2707.9301 6165.7849 299.0984 3457.8548 6198.4684 297.1156 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: 4525.59, 0.00391588/step Wall: 4525.59, 0.00391588/step, 1.49978 hours remaining, 113.753906 MB of memory in use. ENERGY: 1121200 651.5819 1848.7440 1999.1403 116.3764 0.3617 -1117.0505 0.0000 0.0000 2677.8081 6176.9620 295.7714 3499.1538 6211.6620 297.1695 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: 4526.37, 0.00391329/step Wall: 4526.37, 0.00391329/step, 1.49857 hours remaining, 113.753906 MB of memory in use. ENERGY: 1121400 660.0507 1807.1263 1956.4403 116.3581 0.5621 -1121.3634 0.0000 0.0000 2700.7429 6119.9171 298.3046 3419.1741 6153.9800 296.8228 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: 4527.15, 0.00391492/step Wall: 4527.15, 0.00391492/step, 1.49898 hours remaining, 113.753906 MB of memory in use. ENERGY: 1121600 639.3299 1844.1133 1972.9683 106.7395 0.7251 -1113.7703 0.0000 0.0000 2629.3077 6079.4135 290.4144 3450.1058 6112.1172 293.9137 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: 4527.94, 0.0039136/step Wall: 4527.94, 0.0039136/step, 1.49825 hours remaining, 113.753906 MB of memory in use. ENERGY: 1121800 646.0235 1821.1532 1972.9271 101.4015 1.0071 -1144.8804 0.0000 0.0000 2698.2940 6095.9260 298.0341 3397.6319 6130.4327 296.0393 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: 4528.72, 0.00391583/step Wall: 4528.72, 0.00391583/step, 1.49889 hours remaining, 113.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1122000 639.7090 1844.0834 1958.0930 111.8605 0.5737 -1096.9511 0.0000 0.0000 2623.5177 6080.8863 289.7748 3457.3686 6110.6756 293.0870 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: 4529.5, 0.0039154/step Wall: 4529.5, 0.0039154/step, 1.49851 hours remaining, 113.753906 MB of memory in use. ENERGY: 1122200 601.5736 1858.3400 1971.7047 96.1694 0.2991 -1106.4355 0.0000 0.0000 2691.9784 6113.6296 297.3365 3421.6513 6146.2868 295.4959 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: 4530.28, 0.00391209/step Wall: 4530.28, 0.00391209/step, 1.49703 hours remaining, 113.753906 MB of memory in use. ENERGY: 1122400 660.7358 1858.5320 1931.5440 99.0140 0.0727 -1125.2342 0.0000 0.0000 2697.2243 6121.8886 297.9159 3424.6642 6153.5570 296.5913 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: 4531.07, 0.00391607/step Wall: 4531.07, 0.00391607/step, 1.49833 hours remaining, 113.753906 MB of memory in use. ENERGY: 1122600 634.7003 1795.6498 1954.9558 107.1886 1.2405 -1089.1611 0.0000 0.0000 2699.2553 6103.8291 298.1403 3404.5738 6135.2025 294.7738 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: 4531.85, 0.00391463/step Wall: 4531.85, 0.00391463/step, 1.49756 hours remaining, 113.753906 MB of memory in use. ENERGY: 1122800 618.5439 1826.0153 1968.1652 101.6407 1.3506 -1085.8272 0.0000 0.0000 2694.1421 6124.0307 297.5755 3429.8886 6158.5707 295.7975 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: 4532.63, 0.003915/step Wall: 4532.63, 0.003915/step, 1.49749 hours remaining, 113.753906 MB of memory in use. ENERGY: 1123000 620.9737 1805.0238 1944.4449 110.5837 0.8530 -1101.9454 0.0000 0.0000 2734.8349 6114.7686 302.0701 3379.9337 6147.0630 295.5780 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: 4533.42, 0.00391171/step Wall: 4533.42, 0.00391171/step, 1.49601 hours remaining, 113.753906 MB of memory in use. ENERGY: 1123200 649.9795 1856.3167 1991.7232 101.4043 1.2454 -1096.0656 0.0000 0.0000 2661.9761 6166.5796 294.0227 3504.6035 6195.7617 296.5704 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: 4534.2, 0.00391314/step Wall: 4534.2, 0.00391314/step, 1.49634 hours remaining, 113.753906 MB of memory in use. ENERGY: 1123400 663.9387 1850.8297 1962.9523 111.3884 1.5684 -1117.5524 0.0000 0.0000 2731.5285 6204.6537 301.7049 3473.1252 6237.2294 299.1282 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: 4534.98, 0.00391505/step Wall: 4534.98, 0.00391505/step, 1.49685 hours remaining, 113.753906 MB of memory in use. ENERGY: 1123600 679.5172 1836.5113 1979.2624 108.3961 1.3704 -1133.4139 0.0000 0.0000 2698.7105 6170.3540 298.0801 3471.6435 6201.5011 297.5103 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: 4535.76, 0.0039148/step Wall: 4535.76, 0.0039148/step, 1.49654 hours remaining, 113.753906 MB of memory in use. ENERGY: 1123800 642.8958 1875.9895 1964.7302 113.3455 0.4418 -1101.6635 0.0000 0.0000 2728.1359 6223.8753 301.3302 3495.7394 6258.6895 297.5966 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: 4536.55, 0.00391492/step Wall: 4536.55, 0.00391492/step, 1.49637 hours remaining, 113.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1124000 672.3745 1856.9142 1974.5868 105.4602 0.9218 -1094.2927 0.0000 0.0000 2726.3480 6242.3130 301.1327 3515.9649 6273.9808 300.3762 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: 4537.33, 0.0039116/step Wall: 4537.33, 0.0039116/step, 1.49488 hours remaining, 113.753906 MB of memory in use. ENERGY: 1124200 610.0625 1781.7537 1945.3043 112.5540 1.8443 -1051.4242 0.0000 0.0000 2804.2397 6204.3344 309.7361 3400.0946 6241.0830 300.0651 LDB: ============= START OF LOAD BALANCING ============== 4540.03 LDB: ============== END OF LOAD BALANCING =============== 4540.03 LDB: =============== DONE WITH MIGRATION ================ 4540.03 LDB: ============= START OF LOAD BALANCING ============== 4540.42 LDB: ============== END OF LOAD BALANCING =============== 4540.42 LDB: =============== DONE WITH MIGRATION ================ 4540.42 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: 4538.11, 0.00391849/step Wall: 4538.11, 0.00391849/step, 1.4973 hours remaining, 113.753906 MB of memory in use. ENERGY: 1124400 664.0271 1814.8089 1978.4513 108.8538 1.0134 -1083.0481 0.0000 0.0000 2755.4909 6239.5974 304.3516 3484.1065 6273.5963 300.6157 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: 4538.9, 0.00391573/step Wall: 4538.9, 0.00391573/step, 1.49603 hours remaining, 113.753906 MB of memory in use. ENERGY: 1124600 674.3661 1852.1869 1982.1776 106.8433 0.8966 -1104.5371 0.0000 0.0000 2672.0374 6183.9708 295.1340 3511.9333 6214.0476 300.5169 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: 4539.68, 0.00391434/step Wall: 4539.68, 0.00391434/step, 1.49528 hours remaining, 113.753906 MB of memory in use. ENERGY: 1124800 675.2175 1780.2376 1951.5854 87.7463 1.0284 -1090.9894 0.0000 0.0000 2686.3554 6091.1813 296.7154 3404.8259 6124.7603 296.2990 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: 4540.46, 0.0039164/step Wall: 4540.46, 0.0039164/step, 1.49585 hours remaining, 113.753906 MB of memory in use. ENERGY: 1125000 646.0213 1832.1279 1933.7139 115.7110 -0.1104 -1122.8958 0.0000 0.0000 2734.2543 6138.8222 302.0060 3404.5678 6177.8062 296.5743 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: 4541.24, 0.00391135/step Wall: 4541.24, 0.00391135/step, 1.4937 hours remaining, 113.753906 MB of memory in use. ENERGY: 1125200 653.6276 1795.5596 1957.0222 106.3445 0.2383 -1116.7738 0.0000 0.0000 2741.8631 6137.8815 302.8464 3396.0184 6170.7710 296.0057 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: 4542.03, 0.00391444/step Wall: 4542.03, 0.00391444/step, 1.49467 hours remaining, 113.757812 MB of memory in use. ENERGY: 1125400 658.7624 1793.3925 1950.7101 98.8521 -0.7955 -1085.4687 0.0000 0.0000 2734.2887 6149.7415 302.0098 3415.4529 6188.5057 297.5224 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: 4542.81, 0.003917/step Wall: 4542.81, 0.003917/step, 1.49542 hours remaining, 113.757812 MB of memory in use. ENERGY: 1125600 666.5873 1862.3541 1932.8795 114.2910 1.9980 -1047.6569 0.0000 0.0000 2689.3033 6219.7564 297.0410 3530.4531 6253.2638 297.3934 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: 4543.59, 0.00391492/step Wall: 4543.59, 0.00391491/step, 1.49441 hours remaining, 113.761719 MB of memory in use. ENERGY: 1125800 666.5429 1819.2196 1972.0676 125.0146 1.2649 -1059.0407 0.0000 0.0000 2668.0926 6193.1616 294.6983 3525.0690 6225.2724 298.6379 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: 4544.38, 0.00391132/step Wall: 4544.38, 0.00391133/step, 1.49282 hours remaining, 113.765625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1126000 649.8958 1863.7568 1957.7239 110.6948 0.9364 -1081.6879 0.0000 0.0000 2710.9559 6212.2757 299.4326 3501.3198 6244.4046 299.0550 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: 4545.16, 0.0039128/step Wall: 4545.16, 0.0039128/step, 1.49317 hours remaining, 113.765625 MB of memory in use. ENERGY: 1126200 656.0047 1831.7534 1956.4438 114.0755 -0.3402 -1115.2127 0.0000 0.0000 2717.9855 6160.7099 300.2091 3442.7244 6194.8427 299.3480 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: 4545.94, 0.00391325/step Wall: 4545.94, 0.00391325/step, 1.49312 hours remaining, 113.765625 MB of memory in use. ENERGY: 1126400 634.4509 1863.3245 1930.7392 112.1386 0.9157 -1080.1905 0.0000 0.0000 2726.0238 6187.4021 301.0969 3461.3783 6219.7557 300.2192 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: 4546.72, 0.00391395/step Wall: 4546.72, 0.00391395/step, 1.49317 hours remaining, 113.769531 MB of memory in use. ENERGY: 1126600 670.6280 1843.6969 1988.4577 103.2181 0.6380 -1118.7351 0.0000 0.0000 2727.4995 6215.4031 301.2599 3487.9036 6248.0057 300.0653 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: 4547.51, 0.00391394/step Wall: 4547.51, 0.00391394/step, 1.49295 hours remaining, 113.769531 MB of memory in use. ENERGY: 1126800 642.0370 1890.8587 1939.5214 100.6597 0.6865 -1072.8865 0.0000 0.0000 2704.1860 6205.0629 298.6849 3500.8768 6240.3212 300.6309 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: 4548.29, 0.00391109/step Wall: 4548.29, 0.00391109/step, 1.49165 hours remaining, 113.769531 MB of memory in use. ENERGY: 1127000 658.7656 1862.1053 1950.6726 103.5030 0.7727 -1096.2622 0.0000 0.0000 2711.1369 6190.6938 299.4526 3479.5569 6225.6101 299.0123 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: 4549.07, 0.00391511/step Wall: 4549.07, 0.00391511/step, 1.49296 hours remaining, 113.769531 MB of memory in use. ENERGY: 1127200 654.2379 1828.1707 1970.1557 102.3574 0.5376 -1063.0695 0.0000 0.0000 2709.2813 6201.6711 299.2477 3492.3898 6234.6871 300.1286 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: 4549.85, 0.00391217/step Wall: 4549.85, 0.00391217/step, 1.49162 hours remaining, 113.769531 MB of memory in use. ENERGY: 1127400 665.7642 1831.3275 1955.0044 111.9495 0.9749 -1090.1790 0.0000 0.0000 2703.7403 6178.5817 298.6356 3474.8414 6211.2260 299.6162 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: 4550.64, 0.0039134/step Wall: 4550.64, 0.0039134/step, 1.49188 hours remaining, 113.769531 MB of memory in use. ENERGY: 1127600 647.1452 1885.4016 1956.6060 99.1551 1.2557 -1103.0271 0.0000 0.0000 2695.5740 6182.1105 297.7337 3486.5365 6213.1944 297.7786 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: 4551.42, 0.00391173/step Wall: 4551.42, 0.00391173/step, 1.49102 hours remaining, 113.769531 MB of memory in use. ENERGY: 1127800 659.6249 1832.7394 1928.4406 109.0213 -0.0435 -1113.8645 0.0000 0.0000 2746.2360 6162.1542 303.3294 3415.9182 6198.0285 299.1121 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: 4552.2, 0.00391333/step Wall: 4552.2, 0.00391333/step, 1.49141 hours remaining, 113.769531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1128000 667.6179 1816.3587 1946.8206 112.4858 0.3468 -1073.9313 0.0000 0.0000 2679.4062 6149.1047 295.9479 3469.6984 6182.6153 297.3626 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: 4552.98, 0.00391432/step Wall: 4552.98, 0.00391433/step, 1.49158 hours remaining, 113.769531 MB of memory in use. ENERGY: 1128200 676.0040 1805.1927 1943.8713 107.4476 2.7888 -1101.0133 0.0000 0.0000 2690.9437 6125.2349 297.2222 3434.2912 6157.8632 298.2468 LDB: ============= START OF LOAD BALANCING ============== 4555.69 LDB: ============== END OF LOAD BALANCING =============== 4555.69 LDB: =============== DONE WITH MIGRATION ================ 4555.69 LDB: ============= START OF LOAD BALANCING ============== 4556.08 LDB: ============== END OF LOAD BALANCING =============== 4556.08 LDB: =============== DONE WITH MIGRATION ================ 4556.08 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: 4553.77, 0.00391791/step Wall: 4553.77, 0.00391791/step, 1.49273 hours remaining, 113.769531 MB of memory in use. ENERGY: 1128400 680.3015 1811.7903 1949.7232 120.8150 1.0922 -1100.2442 0.0000 0.0000 2687.9976 6151.4755 296.8968 3463.4780 6182.9163 296.9599 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: 4554.55, 0.00391308/step Wall: 4554.55, 0.00391308/step, 1.49066 hours remaining, 113.769531 MB of memory in use. ENERGY: 1128600 682.3498 1845.9823 1961.4815 116.9946 1.0758 -1126.6316 0.0000 0.0000 2663.1244 6144.3768 294.1495 3481.2523 6179.1662 296.3587 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: 4555.33, 0.00390919/step Wall: 4555.33, 0.00390919/step, 1.48897 hours remaining, 113.769531 MB of memory in use. ENERGY: 1128800 665.3127 1832.3457 1946.3086 113.9328 0.7285 -1105.9461 0.0000 0.0000 2720.3261 6173.0083 300.4676 3452.6822 6207.1006 296.9512 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: 4556.12, 0.00391125/step Wall: 4556.12, 0.00391125/step, 1.48954 hours remaining, 113.769531 MB of memory in use. ENERGY: 1129000 630.9670 1868.1980 1956.1046 117.7903 1.3313 -1129.8460 0.0000 0.0000 2762.5179 6207.0632 305.1278 3444.5453 6243.4500 302.2338 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: 4556.9, 0.00391159/step Wall: 4556.9, 0.00391159/step, 1.48944 hours remaining, 113.773438 MB of memory in use. ENERGY: 1129200 652.2885 1849.0978 1944.8720 108.5498 0.7839 -1078.6353 0.0000 0.0000 2726.5604 6203.5170 301.1562 3476.9566 6238.3579 300.9517 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: 4557.68, 0.00391456/step Wall: 4557.68, 0.00391456/step, 1.49036 hours remaining, 113.777344 MB of memory in use. ENERGY: 1129400 693.4182 1858.1235 1953.6739 105.6776 0.5181 -1108.2795 0.0000 0.0000 2696.3887 6199.5205 297.8236 3503.1318 6233.1443 301.8102 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: 4558.46, 0.00391168/step Wall: 4558.46, 0.00391167/step, 1.48904 hours remaining, 113.777344 MB of memory in use. ENERGY: 1129600 680.4816 1880.7886 1933.7112 112.3131 0.5953 -1143.3128 0.0000 0.0000 2711.3680 6175.9451 299.4781 3464.5771 6208.9615 299.1622 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: 4559.24, 0.00391082/step Wall: 4559.24, 0.00391083/step, 1.4885 hours remaining, 113.777344 MB of memory in use. ENERGY: 1129800 638.1939 1854.5008 1980.5409 103.5749 0.4845 -1098.7838 0.0000 0.0000 2757.0895 6235.6009 304.5282 3478.5114 6270.7842 299.8153 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: 4560.03, 0.00391319/step Wall: 4560.03, 0.00391319/step, 1.48918 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1130000 650.3298 1841.7915 1947.7336 119.4573 0.4630 -1093.0845 0.0000 0.0000 2746.4104 6213.1010 303.3487 3466.6906 6243.7878 300.1676 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1130000 WRITING COORDINATES TO DCD FILE MD.1.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: 4560.84, 0.00407288/step Wall: 4560.84, 0.00407288/step, 1.54973 hours remaining, 113.781250 MB of memory in use. ENERGY: 1130200 661.8089 1871.1981 1954.5829 110.7397 1.0848 -1124.8186 0.0000 0.0000 2726.5250 6201.1208 301.1523 3474.5958 6235.0275 301.6889 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: 4561.62, 0.00391361/step Wall: 4561.62, 0.00391361/step, 1.48891 hours remaining, 113.781250 MB of memory in use. ENERGY: 1130400 643.1262 1876.5745 1982.9227 110.4054 0.2825 -1106.8539 0.0000 0.0000 2715.5853 6222.0428 299.9440 3506.4574 6256.0642 304.0794 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: 4562.41, 0.0039107/step Wall: 4562.41, 0.0039107/step, 1.48759 hours remaining, 113.781250 MB of memory in use. ENERGY: 1130600 702.0400 1899.6585 1949.2559 96.6776 -0.0677 -1101.0144 0.0000 0.0000 2686.0287 6232.5787 296.6794 3546.5499 6262.9605 302.4487 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: 4563.19, 0.00391209/step Wall: 4563.19, 0.00391209/step, 1.4879 hours remaining, 113.781250 MB of memory in use. ENERGY: 1130800 618.8147 1862.3998 1940.2608 115.0896 -0.3386 -1088.5605 0.0000 0.0000 2770.4992 6218.1651 306.0094 3447.6659 6251.8353 301.8505 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: 4563.97, 0.00391285/step Wall: 4563.97, 0.00391285/step, 1.48797 hours remaining, 113.781250 MB of memory in use. ENERGY: 1131000 655.4617 1855.9034 1932.8900 101.7935 1.0539 -1098.7964 0.0000 0.0000 2710.9908 6159.2970 299.4365 3448.3062 6192.3451 301.0107 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: 4564.75, 0.00391291/step Wall: 4564.75, 0.00391291/step, 1.48777 hours remaining, 113.781250 MB of memory in use. ENERGY: 1131200 671.9090 1821.6383 1938.4962 106.0369 0.6353 -1058.6905 0.0000 0.0000 2692.4394 6172.4646 297.3874 3480.0252 6207.3379 298.5677 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: 4565.54, 0.00391364/step Wall: 4565.54, 0.00391364/step, 1.48783 hours remaining, 113.781250 MB of memory in use. ENERGY: 1131400 658.5793 1812.4694 1946.9773 110.5804 0.2947 -1092.5933 0.0000 0.0000 2714.7441 6151.0518 299.8510 3436.3076 6184.1881 297.9124 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: 4566.32, 0.00391195/step Wall: 4566.32, 0.00391195/step, 1.48698 hours remaining, 113.781250 MB of memory in use. ENERGY: 1131600 663.8680 1848.2123 1933.4791 108.1386 -0.0510 -1065.2063 0.0000 0.0000 2755.2966 6243.7373 304.3302 3488.4406 6276.1005 298.4281 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: 4567.1, 0.00392296/step Wall: 4567.1, 0.00392296/step, 1.49094 hours remaining, 113.781250 MB of memory in use. ENERGY: 1131800 684.7940 1810.8687 1958.7399 99.0541 1.4692 -1077.0487 0.0000 0.0000 2730.0884 6207.9657 301.5459 3477.8773 6244.9611 301.1878 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: 4567.89, 0.00391492/step Wall: 4567.89, 0.00391492/step, 1.48767 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1132000 630.0664 1855.5963 1936.8111 116.5383 0.3772 -1073.4251 0.0000 0.0000 2739.0748 6205.0389 302.5384 3465.9641 6238.3161 301.3257 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: 4568.67, 0.00391726/step Wall: 4568.67, 0.00391726/step, 1.48834 hours remaining, 113.781250 MB of memory in use. ENERGY: 1132200 661.1787 1860.3859 1964.8174 111.7474 1.0588 -1120.9473 0.0000 0.0000 2707.1433 6185.3842 299.0115 3478.2408 6218.6509 300.6668 LDB: ============= START OF LOAD BALANCING ============== 4571.37 LDB: ============== END OF LOAD BALANCING =============== 4571.37 LDB: =============== DONE WITH MIGRATION ================ 4571.37 LDB: ============= START OF LOAD BALANCING ============== 4571.76 LDB: ============== END OF LOAD BALANCING =============== 4571.76 LDB: =============== DONE WITH MIGRATION ================ 4571.76 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: 4569.45, 0.00391663/step Wall: 4569.45, 0.00391663/step, 1.48788 hours remaining, 113.781250 MB of memory in use. ENERGY: 1132400 676.6462 1840.5329 1941.6976 110.6397 1.7896 -1094.3249 0.0000 0.0000 2733.6991 6210.6802 301.9447 3476.9810 6240.9574 299.9538 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: 4570.24, 0.00391269/step Wall: 4570.24, 0.00391269/step, 1.48617 hours remaining, 113.781250 MB of memory in use. ENERGY: 1132600 659.5225 1900.9674 1931.5397 107.5531 0.3352 -1104.8239 0.0000 0.0000 2703.8970 6198.9910 298.6530 3495.0940 6232.8706 302.8433 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: 4571.02, 0.00391236/step Wall: 4571.02, 0.00391236/step, 1.48583 hours remaining, 113.781250 MB of memory in use. ENERGY: 1132800 659.7134 1900.1824 1985.9391 105.3676 1.9766 -1105.4908 0.0000 0.0000 2699.0869 6246.7753 298.1217 3547.6884 6278.6326 300.6748 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: 4571.8, 0.00391201/step Wall: 4571.8, 0.00391201/step, 1.48548 hours remaining, 113.781250 MB of memory in use. ENERGY: 1133000 662.6984 1906.9846 1941.4147 106.5296 0.4638 -1130.1302 0.0000 0.0000 2766.3063 6254.2673 305.5462 3487.9609 6285.4792 302.4103 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: 4572.58, 0.00391401/step Wall: 4572.58, 0.00391401/step, 1.48602 hours remaining, 113.781250 MB of memory in use. ENERGY: 1133200 627.4325 1925.1475 1944.1802 117.6230 1.0071 -1077.1337 0.0000 0.0000 2678.1992 6216.4558 295.8146 3538.2565 6244.3609 303.0535 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: 4573.37, 0.00391072/step Wall: 4573.37, 0.00391072/step, 1.48455 hours remaining, 113.781250 MB of memory in use. ENERGY: 1133400 655.3199 1912.1091 1946.0618 105.0365 1.1307 -1125.7445 0.0000 0.0000 2758.8181 6252.7318 304.7191 3493.9136 6286.9852 302.4962 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: 4574.15, 0.00391255/step Wall: 4574.15, 0.00391255/step, 1.48503 hours remaining, 113.781250 MB of memory in use. ENERGY: 1133600 679.4002 1895.4273 1968.5453 109.9841 0.3401 -1148.0552 0.0000 0.0000 2739.6856 6245.3274 302.6059 3505.6418 6279.0199 303.5384 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: 4574.93, 0.00391561/step Wall: 4574.93, 0.00391561/step, 1.48597 hours remaining, 113.781250 MB of memory in use. ENERGY: 1133800 671.4731 1893.8283 1951.5947 106.5429 0.6560 -1058.4358 0.0000 0.0000 2669.1158 6234.7750 294.8113 3565.6592 6267.2550 301.7495 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: 4575.71, 0.00391364/step Wall: 4575.71, 0.00391364/step, 1.48501 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1134000 656.5611 1884.6260 1937.9910 98.9817 1.1574 -1086.0291 0.0000 0.0000 2772.2768 6265.5648 306.2057 3493.2881 6299.5102 302.8929 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: 4576.5, 0.00391081/step Wall: 4576.5, 0.00391081/step, 1.48372 hours remaining, 113.781250 MB of memory in use. ENERGY: 1134200 677.9228 1890.8198 1938.2748 111.9290 0.4751 -1057.5393 0.0000 0.0000 2754.5532 6316.4355 304.2481 3561.8823 6351.2004 305.5976 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: 4577.28, 0.00391149/step Wall: 4577.28, 0.00391149/step, 1.48376 hours remaining, 113.781250 MB of memory in use. ENERGY: 1134400 666.9469 1907.5131 1948.4291 109.1982 1.6124 -1099.6528 0.0000 0.0000 2782.7574 6316.8042 307.3633 3534.0468 6349.2490 306.2844 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: 4578.06, 0.00391156/step Wall: 4578.06, 0.00391156/step, 1.48357 hours remaining, 113.781250 MB of memory in use. ENERGY: 1134600 646.3847 1857.6344 1951.0121 106.3860 1.1368 -1057.9337 0.0000 0.0000 2755.7443 6260.3645 304.3796 3504.6202 6294.6856 305.4465 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: 4578.84, 0.00391425/step Wall: 4578.84, 0.00391425/step, 1.48437 hours remaining, 113.781250 MB of memory in use. ENERGY: 1134800 661.5781 1881.2354 1989.2521 119.1757 1.9654 -1097.6689 0.0000 0.0000 2751.8965 6307.4342 303.9546 3555.5377 6339.5009 303.6037 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: 4579.63, 0.00391238/step Wall: 4579.63, 0.00391238/step, 1.48344 hours remaining, 113.781250 MB of memory in use. ENERGY: 1135000 636.5184 1860.8242 1958.3557 110.1536 1.2578 -1094.6769 0.0000 0.0000 2835.0679 6307.5007 313.1412 3472.4328 6344.5296 305.5631 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: 4580.41, 0.00390986/step Wall: 4580.41, 0.00390986/step, 1.48227 hours remaining, 113.781250 MB of memory in use. ENERGY: 1135200 649.7470 1862.3403 1955.7617 102.6158 1.9312 -1089.4215 0.0000 0.0000 2800.2445 6283.2191 309.2948 3482.9746 6319.2116 306.7824 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: 4581.19, 0.00391087/step Wall: 4581.19, 0.00391087/step, 1.48244 hours remaining, 113.781250 MB of memory in use. ENERGY: 1135400 675.5317 1853.6060 1987.5202 102.2095 0.6995 -1096.0928 0.0000 0.0000 2740.7717 6264.2458 302.7259 3523.4742 6296.2314 303.1200 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: 4581.97, 0.00391118/step Wall: 4581.97, 0.00391118/step, 1.48234 hours remaining, 113.781250 MB of memory in use. ENERGY: 1135600 637.5806 1876.7410 1956.0480 120.3785 1.1316 -1118.2476 0.0000 0.0000 2781.3712 6255.0034 307.2102 3473.6321 6289.3131 304.0351 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: 4582.76, 0.00391164/step Wall: 4582.76, 0.00391164/step, 1.48229 hours remaining, 113.781250 MB of memory in use. ENERGY: 1135800 672.2131 1854.1582 1966.9928 111.4068 2.4158 -1088.0536 0.0000 0.0000 2717.4951 6236.6282 300.1549 3519.1331 6269.1208 302.4548 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: 4583.54, 0.00391235/step Wall: 4583.54, 0.00391235/step, 1.48234 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1136000 674.2285 1811.4472 1955.3680 111.0531 1.5999 -1143.4075 0.0000 0.0000 2807.2832 6217.5725 310.0723 3410.2892 6256.2036 302.0852 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: 4584.32, 0.00390881/step Wall: 4584.32, 0.00390881/step, 1.48079 hours remaining, 113.781250 MB of memory in use. ENERGY: 1136200 635.6775 1886.1245 1963.8756 96.1703 1.1461 -1155.6905 0.0000 0.0000 2699.5229 6126.8264 298.1698 3427.3035 6161.0765 298.8438 LDB: ============= START OF LOAD BALANCING ============== 4587.02 LDB: ============== END OF LOAD BALANCING =============== 4587.02 LDB: =============== DONE WITH MIGRATION ================ 4587.02 LDB: ============= START OF LOAD BALANCING ============== 4587.41 LDB: ============== END OF LOAD BALANCING =============== 4587.41 LDB: =============== DONE WITH MIGRATION ================ 4587.41 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: 4585.1, 0.00391679/step Wall: 4585.1, 0.00391679/step, 1.48359 hours remaining, 113.781250 MB of memory in use. ENERGY: 1136400 637.4320 1803.8529 1979.0519 112.5154 1.0837 -1130.9387 0.0000 0.0000 2737.7938 6140.7910 302.3970 3402.9972 6174.6304 296.5902 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: 4585.89, 0.00391183/step Wall: 4585.89, 0.00391183/step, 1.4815 hours remaining, 113.781250 MB of memory in use. ENERGY: 1136600 656.4826 1854.0483 1955.8203 112.8450 -0.3322 -1118.6840 0.0000 0.0000 2640.8274 6101.0075 291.6867 3460.1800 6130.9983 296.1552 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: 4586.67, 0.00391083/step Wall: 4586.67, 0.00391083/step, 1.4809 hours remaining, 113.781250 MB of memory in use. ENERGY: 1136800 652.3466 1836.4745 1975.1680 106.1770 1.2415 -1132.8538 0.0000 0.0000 2695.1805 6133.7345 297.6902 3438.5539 6164.1386 294.5035 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: 4587.45, 0.00390967/step Wall: 4587.45, 0.00390967/step, 1.48024 hours remaining, 113.781250 MB of memory in use. ENERGY: 1137000 618.9516 1918.9167 1957.9585 98.0980 1.4770 -1092.1678 0.0000 0.0000 2704.1634 6207.3974 298.6824 3503.2340 6240.9194 298.1937 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: 4588.23, 0.00391287/step Wall: 4588.23, 0.00391287/step, 1.48124 hours remaining, 113.781250 MB of memory in use. ENERGY: 1137200 663.6619 1839.2792 1969.2560 97.7326 1.9982 -1077.9520 0.0000 0.0000 2740.7474 6234.7232 302.7232 3493.9758 6267.5124 303.9439 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: 4589.02, 0.00391433/step Wall: 4589.02, 0.00391433/step, 1.48157 hours remaining, 113.781250 MB of memory in use. ENERGY: 1137400 637.7126 1804.0850 1933.2001 99.8823 1.7078 -1046.5283 0.0000 0.0000 2728.1693 6158.2288 301.3339 3430.0595 6188.5476 299.2910 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: 4589.8, 0.00391225/step Wall: 4589.8, 0.00391225/step, 1.48057 hours remaining, 113.781250 MB of memory in use. ENERGY: 1137600 642.3287 1859.9232 1966.8314 118.2380 1.0349 -1097.5912 0.0000 0.0000 2698.3965 6189.1614 298.0454 3490.7649 6219.2613 299.0025 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: 4590.58, 0.00391343/step Wall: 4590.58, 0.00391343/step, 1.4808 hours remaining, 113.781250 MB of memory in use. ENERGY: 1137800 646.2968 1841.4685 1948.1819 97.1742 0.9536 -1078.5393 0.0000 0.0000 2732.9652 6188.5010 301.8636 3455.5358 6222.0249 300.7490 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: 4591.36, 0.00390996/step Wall: 4591.36, 0.00390996/step, 1.47927 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1138000 660.9303 1881.2984 1945.9332 112.0750 1.1604 -1129.5333 0.0000 0.0000 2676.7486 6148.6126 295.6543 3471.8639 6181.4923 298.7281 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: 4592.14, 0.00391243/step Wall: 4592.14, 0.00391243/step, 1.47999 hours remaining, 113.781250 MB of memory in use. ENERGY: 1138200 642.6719 1835.8831 1945.9584 97.0193 1.4088 -1099.5131 0.0000 0.0000 2701.4791 6124.9075 298.3859 3423.4285 6157.0311 297.1910 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: 4592.93, 0.00391262/step Wall: 4592.93, 0.00391261/step, 1.47984 hours remaining, 113.781250 MB of memory in use. ENERGY: 1138400 635.5462 1867.7076 1991.4603 104.6022 1.4143 -1130.6888 0.0000 0.0000 2693.2438 6163.2857 297.4763 3470.0419 6195.3423 297.0333 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: 4593.71, 0.00391287/step Wall: 4593.71, 0.00391288/step, 1.47972 hours remaining, 113.781250 MB of memory in use. ENERGY: 1138600 690.9138 1851.3039 1937.1019 115.2076 0.9014 -1093.1950 0.0000 0.0000 2641.6224 6143.8561 291.7746 3502.2337 6176.2257 298.8950 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: 4594.49, 0.00390996/step Wall: 4594.49, 0.00390996/step, 1.4784 hours remaining, 113.781250 MB of memory in use. ENERGY: 1138800 646.9641 1834.7607 1956.7021 108.6249 0.7635 -1081.4046 0.0000 0.0000 2650.3292 6116.7400 292.7362 3466.4108 6148.1447 296.7749 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: 4595.27, 0.00391201/step Wall: 4595.27, 0.00391201/step, 1.47896 hours remaining, 113.781250 MB of memory in use. ENERGY: 1139000 626.7058 1865.3760 1977.9465 104.6929 1.2258 -1158.7780 0.0000 0.0000 2713.6003 6130.7693 299.7247 3417.1690 6165.5485 295.7831 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: 4596.06, 0.0039129/step Wall: 4596.06, 0.0039129/step, 1.47908 hours remaining, 113.781250 MB of memory in use. ENERGY: 1139200 626.8157 1883.2009 1918.3254 102.4879 0.5324 -1110.6149 0.0000 0.0000 2705.3079 6126.0554 298.8088 3420.7475 6161.5984 297.9164 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: 4596.84, 0.00391285/step Wall: 4596.84, 0.00391285/step, 1.47884 hours remaining, 113.781250 MB of memory in use. ENERGY: 1139400 633.6901 1901.5310 1947.4086 104.0281 0.8988 -1117.0616 0.0000 0.0000 2655.3986 6125.8936 293.2962 3470.4950 6158.0133 296.4036 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: 4597.62, 0.00391814/step Wall: 4597.62, 0.00391814/step, 1.48062 hours remaining, 113.781250 MB of memory in use. ENERGY: 1139600 651.7898 1846.1008 1982.5375 100.8758 0.3489 -1118.9579 0.0000 0.0000 2657.6881 6120.3830 293.5490 3462.6949 6153.4263 297.1273 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: 4598.41, 0.00391034/step Wall: 4598.41, 0.00391034/step, 1.47746 hours remaining, 113.781250 MB of memory in use. ENERGY: 1139800 640.4047 1819.3470 1942.2810 102.3818 1.2951 -1156.7223 0.0000 0.0000 2728.0830 6077.0703 301.3244 3348.9873 6112.1132 295.8616 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: 4599.19, 0.00391374/step Wall: 4599.19, 0.00391374/step, 1.47852 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1140000 660.0975 1839.7793 1905.4941 104.0452 2.1183 -1092.3016 0.0000 0.0000 2700.8324 6120.0653 298.3145 3419.2328 6152.6853 293.9789 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1140000 WRITING COORDINATES TO DCD FILE MD.1.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: 4600.03, 0.00418816/step Wall: 4600.03, 0.00418816/step, 1.58196 hours remaining, 113.781250 MB of memory in use. ENERGY: 1140200 635.9034 1899.3070 1946.3704 104.8863 0.5502 -1103.8279 0.0000 0.0000 2653.2520 6136.4415 293.0591 3483.1894 6167.4883 295.9604 LDB: ============= START OF LOAD BALANCING ============== 4602.73 LDB: ============== END OF LOAD BALANCING =============== 4602.73 LDB: =============== DONE WITH MIGRATION ================ 4602.73 LDB: ============= START OF LOAD BALANCING ============== 4603.12 LDB: ============== END OF LOAD BALANCING =============== 4603.12 LDB: =============== DONE WITH MIGRATION ================ 4603.12 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: 4600.81, 0.00391883/step Wall: 4600.81, 0.00391883/step, 1.48001 hours remaining, 113.781250 MB of memory in use. ENERGY: 1140400 647.7529 1808.2541 1974.3603 109.2476 0.2963 -1086.8055 0.0000 0.0000 2719.5990 6172.7049 300.3873 3453.1058 6203.9521 297.8249 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: 4601.59, 0.00391295/step Wall: 4601.59, 0.00391295/step, 1.47757 hours remaining, 113.781250 MB of memory in use. ENERGY: 1140600 632.6620 1863.9779 1962.5917 103.1572 0.0826 -1087.2732 0.0000 0.0000 2775.6369 6250.8352 306.5768 3475.1982 6283.4318 300.3618 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: 4602.37, 0.00391055/step Wall: 4602.37, 0.00391055/step, 1.47645 hours remaining, 113.781250 MB of memory in use. ENERGY: 1140800 652.6982 1820.7198 1970.9859 108.2093 0.6542 -1079.5519 0.0000 0.0000 2768.9649 6242.6804 305.8399 3473.7155 6275.1810 302.8591 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: 4603.16, 0.00391365/step Wall: 4603.16, 0.00391365/step, 1.4774 hours remaining, 113.781250 MB of memory in use. ENERGY: 1141000 677.7015 1825.2140 1958.6205 110.9222 1.4264 -1088.2566 0.0000 0.0000 2717.9063 6203.5342 300.2003 3485.6280 6236.2796 301.1222 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: 4603.94, 0.00391438/step Wall: 4603.94, 0.00391438/step, 1.47746 hours remaining, 113.781250 MB of memory in use. ENERGY: 1141200 622.8711 1836.2094 1962.1715 110.1929 2.2736 -1029.1813 0.0000 0.0000 2710.9775 6215.5146 299.4350 3504.5371 6248.4391 300.5835 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: 4604.72, 0.00391416/step Wall: 4604.72, 0.00391416/step, 1.47716 hours remaining, 113.781250 MB of memory in use. ENERGY: 1141400 628.2899 1839.0153 1939.6558 117.6799 -0.2264 -1084.7712 0.0000 0.0000 2712.2367 6151.8798 299.5741 3439.6432 6186.0096 298.9166 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: 4605.5, 0.00391118/step Wall: 4605.5, 0.00391118/step, 1.47582 hours remaining, 113.781250 MB of memory in use. ENERGY: 1141600 688.9267 1829.2123 1958.1990 114.2130 1.6547 -1137.0438 0.0000 0.0000 2689.3813 6144.5431 297.0497 3455.1618 6177.0308 298.6150 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: 4606.29, 0.00391381/step Wall: 4606.29, 0.00391381/step, 1.47659 hours remaining, 113.781250 MB of memory in use. ENERGY: 1141800 663.3116 1832.7137 1941.9588 99.5056 0.7783 -1091.5635 0.0000 0.0000 2655.1458 6101.8504 293.2683 3446.7046 6136.4023 295.5837 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: 4607.07, 0.0039132/step Wall: 4607.07, 0.0039132/step, 1.47614 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1142000 662.2255 1823.1480 1956.7782 108.1520 0.5322 -1113.0793 0.0000 0.0000 2704.4745 6142.2311 298.7167 3437.7566 6173.2724 295.9301 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: 4607.85, 0.00391505/step Wall: 4607.85, 0.00391505/step, 1.47663 hours remaining, 113.781250 MB of memory in use. ENERGY: 1142200 651.5751 1849.9096 1950.8460 116.6793 0.4163 -1101.8804 0.0000 0.0000 2699.9931 6167.5391 298.2218 3467.5460 6199.9312 297.3404 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: 4608.64, 0.00391549/step Wall: 4608.64, 0.00391549/step, 1.47657 hours remaining, 113.781250 MB of memory in use. ENERGY: 1142400 676.3818 1786.2740 1944.5564 111.2103 1.4097 -1070.0464 0.0000 0.0000 2686.1515 6135.9373 296.6929 3449.7858 6169.2499 298.7655 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: 4609.42, 0.00390948/step Wall: 4609.42, 0.00390948/step, 1.47409 hours remaining, 113.781250 MB of memory in use. ENERGY: 1142600 647.9893 1760.2893 1953.2883 118.0519 1.3560 -1089.8008 0.0000 0.0000 2688.6388 6079.8128 296.9676 3391.1740 6112.8221 293.4073 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: 4610.2, 0.00391316/step Wall: 4610.2, 0.00391316/step, 1.47526 hours remaining, 113.781250 MB of memory in use. ENERGY: 1142800 632.1947 1792.5628 1957.5531 101.2389 2.1008 -1049.7548 0.0000 0.0000 2658.4463 6094.3418 293.6328 3435.8955 6129.6010 292.2648 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: 4610.98, 0.0039158/step Wall: 4610.98, 0.0039158/step, 1.47604 hours remaining, 113.781250 MB of memory in use. ENERGY: 1143000 648.7306 1822.5536 1959.9903 126.2091 0.7337 -1071.7629 0.0000 0.0000 2655.8140 6142.2684 293.3421 3486.4545 6173.3806 296.0733 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: 4611.77, 0.00391716/step Wall: 4611.77, 0.00391716/step, 1.47634 hours remaining, 113.781250 MB of memory in use. ENERGY: 1143200 619.4319 1837.5824 1959.7566 97.9869 0.9183 -1093.7558 0.0000 0.0000 2690.5640 6112.4842 297.1803 3421.9202 6148.6137 296.7772 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: 4612.55, 0.00391138/step Wall: 4612.55, 0.00391138/step, 1.47394 hours remaining, 113.781250 MB of memory in use. ENERGY: 1143400 653.4169 1864.6310 1952.4968 107.4923 1.9489 -1112.3975 0.0000 0.0000 2665.7494 6133.3378 294.4395 3467.5884 6166.7559 295.0882 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: 4613.33, 0.00391751/step Wall: 4613.33, 0.00391751/step, 1.47603 hours remaining, 113.781250 MB of memory in use. ENERGY: 1143600 598.1806 1824.4003 1938.5566 112.8695 1.0155 -1059.2597 0.0000 0.0000 2713.3128 6129.0758 299.6930 3415.7629 6159.6961 296.6638 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: 4614.12, 0.00391554/step Wall: 4614.12, 0.00391554/step, 1.47507 hours remaining, 113.781250 MB of memory in use. ENERGY: 1143800 627.7968 1842.5772 1930.1157 110.6813 0.4719 -1083.7223 0.0000 0.0000 2742.4240 6170.3446 302.9084 3427.9206 6205.8017 295.3017 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: 4614.9, 0.00391603/step Wall: 4614.9, 0.00391603/step, 1.47504 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1144000 634.4054 1819.1196 1944.0036 107.2012 1.9153 -1089.2435 0.0000 0.0000 2731.3690 6148.7707 301.6873 3417.4017 6180.9050 295.6623 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: 4615.68, 0.00391748/step Wall: 4615.68, 0.00391748/step, 1.47536 hours remaining, 113.781250 MB of memory in use. ENERGY: 1144200 630.1049 1867.1454 1977.1789 111.4704 1.4945 -1102.2636 0.0000 0.0000 2663.7575 6148.8881 294.2194 3485.1306 6180.2658 295.8709 LDB: ============= START OF LOAD BALANCING ============== 4618.38 LDB: ============== END OF LOAD BALANCING =============== 4618.38 LDB: =============== DONE WITH MIGRATION ================ 4618.38 LDB: ============= START OF LOAD BALANCING ============== 4618.77 LDB: ============== END OF LOAD BALANCING =============== 4618.77 LDB: =============== DONE WITH MIGRATION ================ 4618.77 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: 4616.47, 0.00391504/step Wall: 4616.47, 0.00391504/step, 1.47423 hours remaining, 113.781250 MB of memory in use. ENERGY: 1144400 617.9486 1837.7193 1957.3358 103.1326 2.7543 -1086.4497 0.0000 0.0000 2678.3605 6110.8015 295.8324 3432.4411 6144.8255 295.5962 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: 4617.25, 0.00391636/step Wall: 4617.25, 0.00391636/step, 1.47451 hours remaining, 113.781250 MB of memory in use. ENERGY: 1144600 685.1521 1802.1411 1921.5593 114.5376 1.6890 -1117.8391 0.0000 0.0000 2656.2388 6063.4788 293.3890 3407.2400 6094.0507 293.2338 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: 4618.03, 0.0039159/step Wall: 4618.03, 0.0039159/step, 1.47412 hours remaining, 113.781250 MB of memory in use. ENERGY: 1144800 620.1093 1853.0486 1948.1225 116.8883 2.7702 -1112.3901 0.0000 0.0000 2689.1514 6117.7002 297.0243 3428.5489 6152.4052 292.7390 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: 4618.82, 0.00391743/step Wall: 4618.82, 0.00391743/step, 1.47448 hours remaining, 113.781250 MB of memory in use. ENERGY: 1145000 669.7178 1788.8802 1966.6799 91.9378 0.7230 -1108.2403 0.0000 0.0000 2788.6189 6198.3173 308.0107 3409.6984 6232.2205 297.4108 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: 4619.6, 0.00391443/step Wall: 4619.6, 0.00391443/step, 1.47313 hours remaining, 113.781250 MB of memory in use. ENERGY: 1145200 623.2420 1854.1894 1970.3465 108.3117 1.0388 -1086.7991 0.0000 0.0000 2723.1172 6193.4466 300.7759 3470.3294 6227.0132 300.0880 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: 4620.38, 0.00391035/step Wall: 4620.38, 0.00391035/step, 1.47138 hours remaining, 113.781250 MB of memory in use. ENERGY: 1145400 653.2008 1859.8151 1964.5293 105.3227 1.3173 -1096.5373 0.0000 0.0000 2654.7211 6142.3690 293.2213 3487.6479 6173.7991 297.5576 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: 4621.16, 0.00391624/step Wall: 4621.16, 0.00391624/step, 1.47338 hours remaining, 113.781250 MB of memory in use. ENERGY: 1145600 627.0617 1798.9657 1970.9199 95.4948 1.1828 -1081.0243 0.0000 0.0000 2716.5464 6129.1471 300.0501 3412.6007 6163.1212 296.2550 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: 4621.95, 0.00391532/step Wall: 4621.95, 0.00391532/step, 1.47281 hours remaining, 113.781250 MB of memory in use. ENERGY: 1145800 636.3485 1856.6691 1914.8139 103.7573 2.2894 -1073.7175 0.0000 0.0000 2672.2869 6112.4476 295.1615 3440.1608 6144.0763 294.4889 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: 4622.73, 0.00391567/step Wall: 4622.73, 0.00391567/step, 1.47273 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1146000 661.9960 1831.1522 1928.2563 104.1346 2.8821 -1092.2062 0.0000 0.0000 2713.8637 6150.0785 299.7538 3436.2148 6185.1572 295.8188 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: 4623.51, 0.00390938/step Wall: 4623.51, 0.00390938/step, 1.47014 hours remaining, 113.781250 MB of memory in use. ENERGY: 1146200 639.4030 1848.3716 1958.5852 99.1828 2.9190 -1103.8378 0.0000 0.0000 2674.0158 6118.6396 295.3525 3444.6238 6150.9056 295.8039 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: 4624.3, 0.00391553/step Wall: 4624.3, 0.00391553/step, 1.47224 hours remaining, 113.781250 MB of memory in use. ENERGY: 1146400 707.0824 1829.9026 1957.3305 106.9026 1.2754 -1112.6552 0.0000 0.0000 2641.7984 6131.6366 291.7940 3489.8383 6161.1321 294.1042 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: 4625.08, 0.00391653/step Wall: 4625.08, 0.00391653/step, 1.4724 hours remaining, 113.781250 MB of memory in use. ENERGY: 1146600 648.1459 1813.2112 2001.1240 101.3233 1.6303 -1101.2724 0.0000 0.0000 2670.2675 6134.4298 294.9385 3464.1624 6165.5516 295.0375 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: 4625.86, 0.00391639/step Wall: 4625.86, 0.00391639/step, 1.47213 hours remaining, 113.781250 MB of memory in use. ENERGY: 1146800 626.3379 1811.8125 1957.1345 95.8059 1.6189 -1081.5730 0.0000 0.0000 2688.0656 6099.2024 296.9043 3411.1368 6130.9863 294.1392 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: 4626.64, 0.00391634/step Wall: 4626.64, 0.00391634/step, 1.47189 hours remaining, 113.781250 MB of memory in use. ENERGY: 1147000 640.8192 1822.9065 1958.4614 104.2282 2.1601 -1038.0706 0.0000 0.0000 2632.5967 6123.1015 290.7776 3490.5048 6153.2262 294.2510 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: 4627.43, 0.00392451/step Wall: 4627.43, 0.00392451/step, 1.47474 hours remaining, 113.781250 MB of memory in use. ENERGY: 1147200 672.2528 1824.5840 1944.4174 103.2533 2.5461 -1082.1813 0.0000 0.0000 2725.9527 6190.8251 301.0891 3464.8724 6224.1234 297.5151 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: 4628.21, 0.00392078/step Wall: 4628.21, 0.00392078/step, 1.47313 hours remaining, 113.781250 MB of memory in use. ENERGY: 1147400 692.9880 1795.1875 1932.7546 105.8650 1.2953 -1116.4664 0.0000 0.0000 2783.8555 6195.4795 307.4846 3411.6240 6234.9650 301.4760 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: 4629, 0.00391966/step Wall: 4629, 0.00391966/step, 1.47249 hours remaining, 113.781250 MB of memory in use. ENERGY: 1147600 666.5829 1883.4123 1954.6205 108.8946 1.2512 -1116.8847 0.0000 0.0000 2702.7552 6200.6319 298.5268 3497.8767 6233.6271 299.8562 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: 4629.78, 0.00391667/step Wall: 4629.78, 0.00391667/step, 1.47114 hours remaining, 113.781250 MB of memory in use. ENERGY: 1147800 663.3899 1839.4554 1972.1325 120.3574 1.6715 -1106.0972 0.0000 0.0000 2738.6443 6229.5538 302.4909 3490.9094 6263.1458 300.2748 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: 4630.56, 0.00391109/step Wall: 4630.56, 0.00391109/step, 1.46883 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1148000 652.4635 1837.1645 1963.6859 113.8178 2.2950 -1082.9433 0.0000 0.0000 2741.3465 6227.8300 302.7894 3486.4835 6260.3696 300.6547 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: 4631.35, 0.00391751/step Wall: 4631.35, 0.00391751/step, 1.47103 hours remaining, 113.781250 MB of memory in use. ENERGY: 1148200 674.5988 1854.3869 1987.9942 113.4843 3.2412 -1120.8628 0.0000 0.0000 2704.2580 6217.1006 298.6928 3512.8426 6248.4429 301.3682 LDB: ============= START OF LOAD BALANCING ============== 4634.05 LDB: ============== END OF LOAD BALANCING =============== 4634.05 LDB: =============== DONE WITH MIGRATION ================ 4634.05 LDB: ============= START OF LOAD BALANCING ============== 4634.44 LDB: ============== END OF LOAD BALANCING =============== 4634.44 LDB: =============== DONE WITH MIGRATION ================ 4634.44 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: 4632.13, 0.00392099/step Wall: 4632.13, 0.00392099/step, 1.47212 hours remaining, 113.781250 MB of memory in use. ENERGY: 1148400 622.0549 1864.0857 1974.1978 134.1648 1.6768 -1111.5311 0.0000 0.0000 2762.2627 6246.9116 305.0996 3484.6490 6284.6097 301.9721 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: 4632.91, 0.00391662/step Wall: 4632.91, 0.00391662/step, 1.47026 hours remaining, 113.781250 MB of memory in use. ENERGY: 1148600 641.3687 1831.8503 1981.9705 116.4253 1.8413 -1124.0318 0.0000 0.0000 2773.4525 6222.8768 306.3356 3449.4243 6258.0415 303.2522 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: 4633.7, 0.00391782/step Wall: 4633.7, 0.00391782/step, 1.47049 hours remaining, 113.781250 MB of memory in use. ENERGY: 1148800 657.1633 1830.3449 1948.4517 108.2858 3.1672 -1079.3405 0.0000 0.0000 2785.2593 6253.3316 307.6397 3468.0723 6284.1985 303.0540 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: 4634.48, 0.00390998/step Wall: 4634.48, 0.00390998/step, 1.46733 hours remaining, 113.781250 MB of memory in use. ENERGY: 1149000 671.8253 1863.0875 2004.2403 118.8033 2.9854 -1082.1340 0.0000 0.0000 2696.5221 6275.3301 297.8384 3578.8079 6308.3182 303.2942 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: 4635.26, 0.00391649/step Wall: 4635.26, 0.00391649/step, 1.46955 hours remaining, 113.781250 MB of memory in use. ENERGY: 1149200 669.9277 1837.4541 1967.2896 100.1172 3.2265 -1110.9706 0.0000 0.0000 2751.6710 6218.7156 303.9297 3467.0446 6255.0581 302.8124 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: 4636.05, 0.0039168/step Wall: 4636.05, 0.0039168/step, 1.46945 hours remaining, 113.781250 MB of memory in use. ENERGY: 1149400 654.0384 1836.9406 1987.0006 104.9371 2.9187 -1102.3367 0.0000 0.0000 2730.3003 6213.7989 301.5693 3483.4986 6246.5932 302.7148 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: 4636.83, 0.00391859/step Wall: 4636.83, 0.00391859/step, 1.46991 hours remaining, 113.781250 MB of memory in use. ENERGY: 1149600 649.7162 1880.9298 1942.0642 111.3835 3.0852 -1110.2983 0.0000 0.0000 2749.4496 6226.3303 303.6844 3476.8806 6256.6253 300.0520 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: 4637.61, 0.00391184/step Wall: 4637.61, 0.00391184/step, 1.46716 hours remaining, 113.781250 MB of memory in use. ENERGY: 1149800 686.1162 1828.8932 1966.2068 108.6607 3.2521 -1086.9408 0.0000 0.0000 2737.0659 6243.2541 302.3166 3506.1882 6279.2216 299.8669 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: 4638.4, 0.00392663/step Wall: 4638.4, 0.00392663/step, 1.47249 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1150000 660.6796 1863.2633 1992.7633 105.5028 2.7871 -1073.6196 0.0000 0.0000 2707.6660 6259.0424 299.0693 3551.3764 6292.6462 300.8938 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1150000 WRITING COORDINATES TO DCD FILE MD.1.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: 4639.22, 0.00408526/step Wall: 4639.22, 0.00408526/step, 1.53175 hours remaining, 113.781250 MB of memory in use. ENERGY: 1150200 638.0239 1811.4596 1981.8382 121.8364 3.8724 -1104.6536 0.0000 0.0000 2697.6488 6150.0258 297.9628 3452.3769 6183.1522 298.6259 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: 4640, 0.00391779/step Wall: 4640, 0.00391779/step, 1.46874 hours remaining, 113.781250 MB of memory in use. ENERGY: 1150400 639.7384 1829.3456 1935.1900 112.4224 2.2734 -1065.5995 0.0000 0.0000 2698.5161 6151.8864 298.0586 3453.3703 6183.9444 299.0214 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: 4640.78, 0.00391702/step Wall: 4640.78, 0.00391702/step, 1.46823 hours remaining, 113.781250 MB of memory in use. ENERGY: 1150600 640.4322 1821.9739 1946.3853 100.4535 2.1558 -1055.7702 0.0000 0.0000 2653.8491 6109.4796 293.1250 3455.6305 6141.2140 295.4412 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: 4641.56, 0.0039115/step Wall: 4641.56, 0.0039115/step, 1.46594 hours remaining, 113.781250 MB of memory in use. ENERGY: 1150800 639.1820 1873.4440 1961.1750 103.4857 2.4250 -1053.4863 0.0000 0.0000 2648.7381 6174.9635 292.5605 3526.2254 6203.7918 295.9011 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: 4642.35, 0.00391774/step Wall: 4642.35, 0.00391774/step, 1.46806 hours remaining, 113.781250 MB of memory in use. ENERGY: 1151000 639.4482 1829.8996 1963.9360 107.2864 1.8238 -1104.9116 0.0000 0.0000 2736.7581 6174.2403 302.2826 3437.4822 6212.5165 298.0196 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: 4643.13, 0.00391811/step Wall: 4643.13, 0.00391811/step, 1.46799 hours remaining, 113.781250 MB of memory in use. ENERGY: 1151200 716.3093 1859.3488 1953.4243 111.7394 1.3975 -1128.6176 0.0000 0.0000 2689.5553 6203.1571 297.0689 3513.6018 6235.1836 299.8842 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: 4643.91, 0.0039167/step Wall: 4643.91, 0.0039167/step, 1.46724 hours remaining, 113.781250 MB of memory in use. ENERGY: 1151400 655.9807 1844.2937 1950.3435 104.6461 0.3141 -1114.7050 0.0000 0.0000 2721.8978 6162.7709 300.6412 3440.8730 6197.0214 300.1873 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: 4644.7, 0.00391724/step Wall: 4644.7, 0.00391724/step, 1.46723 hours remaining, 113.781250 MB of memory in use. ENERGY: 1151600 689.4292 1834.2813 1921.0053 103.5228 1.4251 -1118.3309 0.0000 0.0000 2708.8721 6140.2050 299.2025 3431.3329 6174.9430 298.2860 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: 4645.48, 0.00391176/step Wall: 4645.48, 0.00391176/step, 1.46495 hours remaining, 113.781250 MB of memory in use. ENERGY: 1151800 657.9325 1832.5762 1971.8906 106.7733 2.0232 -1092.1554 0.0000 0.0000 2690.3975 6169.4380 297.1619 3479.0405 6201.7876 298.4712 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: 4646.26, 0.00391544/step Wall: 4646.26, 0.00391544/step, 1.46611 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1152000 651.7794 1858.5928 1975.0005 107.8338 2.3636 -1113.1433 0.0000 0.0000 2652.4064 6134.8333 292.9657 3482.4268 6167.8248 297.8566 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: 4647.05, 0.00391801/step Wall: 4647.05, 0.00391801/step, 1.46686 hours remaining, 113.781250 MB of memory in use. ENERGY: 1152200 642.5491 1797.7658 1959.4163 110.8636 1.9873 -1067.0865 0.0000 0.0000 2670.1358 6115.6314 294.9239 3445.4956 6148.2024 295.3780 LDB: ============= START OF LOAD BALANCING ============== 4649.75 LDB: ============== END OF LOAD BALANCING =============== 4649.75 LDB: =============== DONE WITH MIGRATION ================ 4649.75 LDB: ============= START OF LOAD BALANCING ============== 4650.14 LDB: ============== END OF LOAD BALANCING =============== 4650.14 LDB: =============== DONE WITH MIGRATION ================ 4650.14 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: 4647.83, 0.0039216/step Wall: 4647.83, 0.0039216/step, 1.46799 hours remaining, 113.781250 MB of memory in use. ENERGY: 1152400 654.4570 1823.5991 1957.3785 105.2011 2.2518 -1079.9974 0.0000 0.0000 2718.7132 6181.6033 300.2895 3462.8900 6214.6591 297.1439 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: 4648.61, 0.00391175/step Wall: 4648.61, 0.00391175/step, 1.46408 hours remaining, 113.781250 MB of memory in use. ENERGY: 1152600 667.0169 1831.5798 1959.6527 108.1469 2.4218 -1072.1680 0.0000 0.0000 2707.4308 6204.0808 299.0433 3496.6500 6236.7275 300.5605 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: 4649.4, 0.0039172/step Wall: 4649.4, 0.0039172/step, 1.4659 hours remaining, 113.781250 MB of memory in use. ENERGY: 1152800 662.0024 1838.3373 1980.2428 122.6076 -0.3486 -1090.8680 0.0000 0.0000 2699.4262 6211.3998 298.1591 3511.9736 6244.8752 300.2081 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: 4650.18, 0.00391583/step Wall: 4650.18, 0.00391583/step, 1.46517 hours remaining, 113.781250 MB of memory in use. ENERGY: 1153000 617.5130 1904.8641 1976.1948 108.5348 -0.2774 -1131.8489 0.0000 0.0000 2682.2626 6157.2430 296.2634 3474.9805 6190.0248 298.8801 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: 4650.96, 0.00391703/step Wall: 4650.96, 0.00391703/step, 1.4654 hours remaining, 113.781250 MB of memory in use. ENERGY: 1153200 628.1924 1827.0418 1976.3914 108.7423 2.0846 -1107.3756 0.0000 0.0000 2678.7578 6113.8346 295.8763 3435.0768 6147.8726 296.8145 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: 4651.75, 0.00391777/step Wall: 4651.75, 0.00391777/step, 1.46546 hours remaining, 113.781250 MB of memory in use. ENERGY: 1153400 647.7242 1818.2441 1956.7234 111.7035 2.6201 -1107.2970 0.0000 0.0000 2644.2100 6073.9284 292.0604 3429.7184 6106.6707 292.6667 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: 4652.53, 0.00391204/step Wall: 4652.53, 0.00391204/step, 1.4631 hours remaining, 113.781250 MB of memory in use. ENERGY: 1153600 636.9792 1814.6433 1943.4439 101.9090 2.1225 -1103.1938 0.0000 0.0000 2661.3800 6057.2841 293.9568 3395.9041 6089.8387 292.5003 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: 4653.31, 0.00391853/step Wall: 4653.31, 0.00391853/step, 1.46531 hours remaining, 113.781250 MB of memory in use. ENERGY: 1153800 650.7354 1822.3772 1973.5002 106.7429 2.2508 -1119.2419 0.0000 0.0000 2626.6491 6063.0137 290.1207 3436.3646 6095.7897 291.7721 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: 4654.1, 0.00391837/step Wall: 4654.1, 0.00391838/step, 1.46504 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1154000 639.0624 1837.1519 1947.0668 109.8817 1.6202 -1135.8232 0.0000 0.0000 2633.1133 6032.0731 290.8347 3398.9598 6063.3714 293.1431 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: 4654.88, 0.00391937/step Wall: 4654.88, 0.00391937/step, 1.46519 hours remaining, 113.781250 MB of memory in use. ENERGY: 1154200 625.0685 1808.3006 1982.5880 107.9128 3.9227 -1113.3953 0.0000 0.0000 2629.2836 6043.6809 290.4117 3414.3973 6077.7084 292.5958 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: 4655.66, 0.00391553/step Wall: 4655.66, 0.00391553/step, 1.46354 hours remaining, 113.781250 MB of memory in use. ENERGY: 1154400 640.9195 1873.8054 1936.5410 105.1176 2.8132 -1141.7300 0.0000 0.0000 2648.7137 6066.1803 292.5578 3417.4666 6094.5494 292.6293 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: 4656.45, 0.00391384/step Wall: 4656.45, 0.00391384/step, 1.46269 hours remaining, 113.781250 MB of memory in use. ENERGY: 1154600 670.5899 1767.4524 1958.5951 97.7795 0.6024 -1104.1489 0.0000 0.0000 2745.8811 6136.7515 303.2902 3390.8704 6170.0236 295.3158 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: 4657.23, 0.00391715/step Wall: 4657.23, 0.00391715/step, 1.46371 hours remaining, 113.781250 MB of memory in use. ENERGY: 1154800 669.3366 1814.2681 1966.1716 102.1961 1.9976 -1130.9752 0.0000 0.0000 2656.4838 6079.4785 293.4160 3422.9947 6112.4077 295.2710 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: 4658.01, 0.00391806/step Wall: 4658.01, 0.00391806/step, 1.46383 hours remaining, 113.781250 MB of memory in use. ENERGY: 1155000 641.0815 1897.9059 1920.3227 92.6600 3.1130 -1109.1160 0.0000 0.0000 2653.8761 6099.8432 293.1280 3445.9671 6130.3342 293.6581 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: 4658.8, 0.00391913/step Wall: 4658.8, 0.00391913/step, 1.46401 hours remaining, 113.781250 MB of memory in use. ENERGY: 1155200 635.9753 1862.0229 1988.3836 117.9385 1.8060 -1123.1472 0.0000 0.0000 2665.3988 6148.3779 294.4007 3482.9791 6176.7646 296.7001 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: 4659.58, 0.00391122/step Wall: 4659.58, 0.00391122/step, 1.46084 hours remaining, 113.781250 MB of memory in use. ENERGY: 1155400 666.8650 1865.1864 1955.2076 104.3293 2.6105 -1126.6092 0.0000 0.0000 2642.1046 6109.6942 291.8278 3467.5896 6140.3529 297.3389 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: 4660.36, 0.00391781/step Wall: 4660.36, 0.00391781/step, 1.46308 hours remaining, 113.781250 MB of memory in use. ENERGY: 1155600 647.2456 1813.3572 1930.5621 108.7436 1.4261 -1112.7359 0.0000 0.0000 2709.1611 6097.7597 299.2344 3388.5987 6133.7062 294.6380 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: 4661.15, 0.00391652/step Wall: 4661.15, 0.00391652/step, 1.46239 hours remaining, 113.781250 MB of memory in use. ENERGY: 1155800 623.4954 1860.1075 1932.4694 116.8397 2.0220 -1108.5210 0.0000 0.0000 2736.3021 6162.7152 302.2322 3426.4131 6196.8539 297.4531 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: 4661.93, 0.00391734/step Wall: 4661.93, 0.00391734/step, 1.46247 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1156000 633.2686 1834.9948 1985.2984 114.1374 2.3712 -1106.6739 0.0000 0.0000 2771.2141 6234.6107 306.0883 3463.3965 6268.0681 300.5059 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: 4662.71, 0.00391789/step Wall: 4662.71, 0.00391789/step, 1.46246 hours remaining, 113.781250 MB of memory in use. ENERGY: 1156200 658.9623 1889.3061 1959.8953 98.5939 3.6274 -1107.0337 0.0000 0.0000 2763.7317 6267.0830 305.2619 3503.3514 6297.8351 303.4260 LDB: ============= START OF LOAD BALANCING ============== 4665.41 LDB: ============== END OF LOAD BALANCING =============== 4667.03 LDB: =============== DONE WITH MIGRATION ================ 4667.03 LDB: ============= START OF LOAD BALANCING ============== 4667.43 LDB: ============== END OF LOAD BALANCING =============== 4667.43 LDB: =============== DONE WITH MIGRATION ================ 4667.43 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: 4665.12, 0.0120341/step Wall: 4665.12, 0.0120341/step, 4.4914 hours remaining, 113.781250 MB of memory in use. ENERGY: 1156400 659.7845 1864.2139 1984.2970 103.8277 2.0481 -1072.9787 0.0000 0.0000 2759.6939 6300.8865 304.8159 3541.1926 6333.9983 304.5887 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: 4665.9, 0.00391605/step Wall: 4665.9, 0.00391605/step, 1.46134 hours remaining, 113.781250 MB of memory in use. ENERGY: 1156600 662.7843 1821.1359 1977.1382 113.2989 2.2472 -1110.1580 0.0000 0.0000 2780.2548 6246.7012 307.0869 3466.4465 6283.4169 305.3609 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: 4666.69, 0.00391759/step Wall: 4666.69, 0.00391759/step, 1.4617 hours remaining, 113.781250 MB of memory in use. ENERGY: 1156800 651.0708 1897.1636 1970.2026 111.7678 1.9034 -1111.7135 0.0000 0.0000 2728.5758 6248.9705 301.3788 3520.3947 6280.9515 303.8740 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: 4667.47, 0.00391207/step Wall: 4667.47, 0.00391207/step, 1.45942 hours remaining, 113.781250 MB of memory in use. ENERGY: 1157000 659.0474 1822.8789 1943.5458 108.4048 1.1480 -1117.4652 0.0000 0.0000 2799.1987 6216.7584 309.1793 3417.5597 6253.7648 301.0313 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: 4668.25, 0.00391762/step Wall: 4668.25, 0.00391762/step, 1.46127 hours remaining, 113.781250 MB of memory in use. ENERGY: 1157200 663.5726 1829.3714 1961.1546 113.3665 1.0844 -1090.2915 0.0000 0.0000 2727.5148 6205.7728 301.2616 3478.2581 6240.3559 301.2661 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: 4669.04, 0.00391742/step Wall: 4669.04, 0.00391742/step, 1.46098 hours remaining, 113.781250 MB of memory in use. ENERGY: 1157400 664.9827 1892.9853 1946.3296 105.1841 1.4438 -1082.1328 0.0000 0.0000 2696.4410 6225.2336 297.8294 3528.7926 6256.0009 300.0430 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: 4669.82, 0.00391745/step Wall: 4669.82, 0.00391745/step, 1.46077 hours remaining, 113.781250 MB of memory in use. ENERGY: 1157600 657.6757 1854.8411 1941.3423 97.8447 2.4371 -1116.1219 0.0000 0.0000 2754.6929 6192.7118 304.2635 3438.0190 6227.7307 301.4766 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: 4670.6, 0.00391095/step Wall: 4670.6, 0.00391095/step, 1.45813 hours remaining, 113.781250 MB of memory in use. ENERGY: 1157800 680.2594 1855.5113 1973.0514 100.5691 0.9092 -1113.9448 0.0000 0.0000 2675.5266 6171.8823 295.5194 3496.3557 6205.3035 298.5703 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: 4671.39, 0.00391544/step Wall: 4671.39, 0.00391544/step, 1.45959 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1158000 671.2466 1929.0885 1977.0598 109.0923 0.6407 -1150.7548 0.0000 0.0000 2681.7600 6218.1331 296.2079 3536.3731 6248.2414 300.9378 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: 4672.17, 0.00391481/step Wall: 4672.17, 0.00391481/step, 1.45914 hours remaining, 113.781250 MB of memory in use. ENERGY: 1158200 624.8890 1932.4609 1970.3261 103.9100 1.6305 -1125.5071 0.0000 0.0000 2665.9608 6173.6702 294.4628 3507.7093 6205.8164 300.9007 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: 4672.95, 0.00391581/step Wall: 4672.95, 0.00391581/step, 1.45929 hours remaining, 113.781250 MB of memory in use. ENERGY: 1158400 638.4840 1853.7683 1961.2383 109.7317 2.6418 -1131.5848 0.0000 0.0000 2725.3855 6159.6649 301.0264 3434.2795 6197.5573 299.4725 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: 4673.74, 0.00391554/step Wall: 4673.74, 0.00391554/step, 1.45897 hours remaining, 113.781250 MB of memory in use. ENERGY: 1158600 670.1025 1844.1648 1962.6987 104.2134 0.9574 -1116.6472 0.0000 0.0000 2732.5635 6198.0530 301.8192 3465.4895 6231.0996 300.3556 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: 4674.52, 0.00391013/step Wall: 4674.52, 0.00391013/step, 1.45674 hours remaining, 113.781250 MB of memory in use. ENERGY: 1158800 668.1318 1869.8108 1979.5330 112.0199 1.6206 -1095.6029 0.0000 0.0000 2699.4505 6234.9637 298.1618 3535.5132 6266.4965 301.0552 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: 4675.3, 0.00391576/step Wall: 4675.3, 0.00391576/step, 1.45862 hours remaining, 113.781250 MB of memory in use. ENERGY: 1159000 625.1392 1863.3670 1967.8446 111.6649 1.0195 -1087.7525 0.0000 0.0000 2735.0924 6216.3752 302.0986 3481.2828 6250.3879 303.0498 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: 4676.08, 0.00391244/step Wall: 4676.08, 0.00391244/step, 1.45717 hours remaining, 113.781250 MB of memory in use. ENERGY: 1159200 672.5076 1804.3832 1974.2189 101.9121 1.0312 -1095.0992 0.0000 0.0000 2711.3930 6170.3468 299.4809 3458.9538 6202.8388 300.5181 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: 4676.87, 0.00391431/step Wall: 4676.87, 0.00391431/step, 1.45765 hours remaining, 113.781250 MB of memory in use. ENERGY: 1159400 687.4863 1852.7178 1960.7572 111.7023 2.7115 -1080.1854 0.0000 0.0000 2680.0474 6215.2370 296.0187 3535.1896 6248.0571 300.4021 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: 4677.65, 0.00390961/step Wall: 4677.65, 0.00390961/step, 1.45568 hours remaining, 113.781250 MB of memory in use. ENERGY: 1159600 686.4962 1812.6105 2002.8991 119.1594 0.5203 -1127.2139 0.0000 0.0000 2713.4119 6207.8835 299.7039 3494.4716 6241.9918 299.3201 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: 4678.43, 0.00391722/step Wall: 4678.43, 0.00391722/step, 1.45829 hours remaining, 113.781250 MB of memory in use. ENERGY: 1159800 648.0021 1837.3675 1962.4752 107.8129 0.2421 -1102.6046 0.0000 0.0000 2748.6788 6201.9740 303.5992 3453.2952 6234.7111 299.8603 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: 4679.21, 0.00391545/step Wall: 4679.21, 0.00391544/step, 1.45741 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1160000 672.6501 1826.5980 1961.7379 104.7855 0.4521 -1117.4873 0.0000 0.0000 2703.9016 6152.6379 298.6535 3448.7363 6185.5431 298.5870 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1160000 WRITING COORDINATES TO DCD FILE MD.1.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: 4680.82, 0.008005/step Wall: 4680.82, 0.00800501/step, 2.9792 hours remaining, 113.781250 MB of memory in use. ENERGY: 1160200 629.2946 1816.3889 1943.3575 101.0830 1.9415 -1087.6017 0.0000 0.0000 2713.5757 6118.0396 299.7220 3404.4639 6153.2679 297.4545 LDB: ============= START OF LOAD BALANCING ============== 4683.52 LDB: ============== END OF LOAD BALANCING =============== 4683.52 LDB: =============== DONE WITH MIGRATION ================ 4683.52 LDB: ============= START OF LOAD BALANCING ============== 4683.91 LDB: ============== END OF LOAD BALANCING =============== 4683.91 LDB: =============== DONE WITH MIGRATION ================ 4683.91 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: 4681.6, 0.00391848/step Wall: 4681.6, 0.00391848/step, 1.45811 hours remaining, 113.781250 MB of memory in use. ENERGY: 1160400 609.0836 1853.3303 1952.4913 103.7534 1.7307 -1079.1523 0.0000 0.0000 2717.3010 6158.5381 300.1335 3441.2371 6193.6013 296.8471 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: 4682.38, 0.00391913/step Wall: 4682.38, 0.00391913/step, 1.45814 hours remaining, 113.781250 MB of memory in use. ENERGY: 1160600 648.5872 1878.0508 1969.7652 110.7724 1.2190 -1095.2664 0.0000 0.0000 2626.7156 6139.8438 290.1281 3513.1282 6169.2955 297.1837 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: 4683.17, 0.00391718/step Wall: 4683.17, 0.00391718/step, 1.45719 hours remaining, 113.781250 MB of memory in use. ENERGY: 1160800 679.3034 1819.8163 1924.3786 100.3345 1.2212 -1108.2391 0.0000 0.0000 2767.0606 6183.8755 305.6296 3416.8149 6219.2780 298.2638 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: 4683.95, 0.00391768/step Wall: 4683.95, 0.00391768/step, 1.45716 hours remaining, 113.781250 MB of memory in use. ENERGY: 1161000 679.4924 1925.2085 1976.4187 110.0695 2.5349 -1122.4252 0.0000 0.0000 2696.4797 6267.7786 297.8337 3571.2989 6300.5214 302.4164 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: 4684.73, 0.00391756/step Wall: 4684.73, 0.00391756/step, 1.4569 hours remaining, 113.781250 MB of memory in use. ENERGY: 1161200 688.8433 1914.2276 1949.3291 112.0487 1.5462 -1148.1048 0.0000 0.0000 2733.1588 6251.0489 301.8850 3517.8901 6286.9382 304.2916 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: 4685.52, 0.00391285/step Wall: 4685.52, 0.00391285/step, 1.45493 hours remaining, 113.781250 MB of memory in use. ENERGY: 1161400 664.5203 1836.8123 1959.8913 112.5762 1.8851 -1077.7318 0.0000 0.0000 2740.1960 6238.1494 302.6623 3497.9534 6275.7582 301.4197 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: 4686.3, 0.00391729/step Wall: 4686.3, 0.00391729/step, 1.45636 hours remaining, 113.781250 MB of memory in use. ENERGY: 1161600 653.0767 1942.7285 1948.0995 107.7498 1.4762 -1101.0608 0.0000 0.0000 2700.6770 6252.7469 298.2973 3552.0700 6282.4033 303.1968 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: 4687.08, 0.00391725/step Wall: 4687.08, 0.00391725/step, 1.45613 hours remaining, 113.781250 MB of memory in use. ENERGY: 1161800 626.8115 1844.5930 1973.7061 105.4434 3.4548 -1102.0298 0.0000 0.0000 2755.0803 6207.0594 304.3063 3451.9791 6242.1433 301.2728 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: 4687.87, 0.00393765/step Wall: 4687.87, 0.00393765/step, 1.46349 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1162000 624.7620 1871.8845 1949.1862 97.1723 2.3486 -1114.3716 0.0000 0.0000 2760.0324 6191.0145 304.8533 3430.9821 6226.9347 298.2985 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: 4688.65, 0.00391484/step Wall: 4688.65, 0.00391484/step, 1.4548 hours remaining, 113.781250 MB of memory in use. ENERGY: 1162200 641.9798 1843.8847 1961.3470 118.1794 0.9494 -1048.8054 0.0000 0.0000 2651.8931 6169.4279 292.9090 3517.5347 6201.7217 297.4644 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: 4689.44, 0.00391641/step Wall: 4689.44, 0.00391641/step, 1.45517 hours remaining, 113.781250 MB of memory in use. ENERGY: 1162400 673.6697 1792.2725 1977.1788 123.8923 2.5781 -1087.3337 0.0000 0.0000 2704.5316 6186.7893 298.7230 3482.2577 6220.9324 298.7817 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: 4690.22, 0.0039142/step Wall: 4690.22, 0.0039142/step, 1.45413 hours remaining, 113.781250 MB of memory in use. ENERGY: 1162600 649.0419 1844.6536 1953.7541 96.8240 2.2420 -1097.9517 0.0000 0.0000 2718.5774 6167.1413 300.2744 3448.5639 6202.1186 298.3403 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: 4691, 0.00391474/step Wall: 4691, 0.00391474/step, 1.45411 hours remaining, 113.781250 MB of memory in use. ENERGY: 1162800 664.6172 1875.3359 1953.3990 119.7156 1.5775 -1124.0313 0.0000 0.0000 2679.3996 6170.0136 295.9472 3490.6140 6200.8787 298.6953 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: 4691.79, 0.00391545/step Wall: 4691.79, 0.00391545/step, 1.45416 hours remaining, 113.781250 MB of memory in use. ENERGY: 1163000 639.7827 1826.3774 1937.0160 110.0080 1.6189 -1111.0292 0.0000 0.0000 2710.9774 6114.7512 299.4350 3403.7738 6149.8474 297.3016 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: 4692.57, 0.00390942/step Wall: 4692.57, 0.00390942/step, 1.4517 hours remaining, 113.781250 MB of memory in use. ENERGY: 1163200 621.6612 1834.0520 1967.7582 115.8479 1.2121 -1081.2300 0.0000 0.0000 2686.9192 6146.2205 296.7777 3459.3013 6180.4911 295.9637 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: 4693.35, 0.00391592/step Wall: 4693.35, 0.00391592/step, 1.45389 hours remaining, 113.781250 MB of memory in use. ENERGY: 1163400 644.2576 1827.1749 1943.9595 97.9022 1.5422 -1093.5327 0.0000 0.0000 2763.5919 6184.8955 305.2464 3421.3037 6220.5166 298.4917 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: 4694.13, 0.00391637/step Wall: 4694.13, 0.00391637/step, 1.45384 hours remaining, 113.781250 MB of memory in use. ENERGY: 1163600 620.9986 1865.8593 1956.6686 121.7953 0.2929 -1103.1729 0.0000 0.0000 2702.9177 6165.3595 298.5448 3462.4419 6199.2086 297.3781 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: 4694.92, 0.00391652/step Wall: 4694.92, 0.00391652/step, 1.45368 hours remaining, 113.781250 MB of memory in use. ENERGY: 1163800 669.7874 1888.4554 1947.4822 105.9915 2.7347 -1101.2133 0.0000 0.0000 2630.2592 6143.4970 290.5195 3513.2379 6172.9011 295.9828 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: 4695.7, 0.00391169/step Wall: 4695.7, 0.00391169/step, 1.45167 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1164000 643.5063 1867.5508 1946.1343 100.7172 1.6321 -1121.7645 0.0000 0.0000 2690.7680 6128.5441 297.2028 3437.7761 6164.0690 295.4896 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: 4696.48, 0.00391911/step Wall: 4696.48, 0.00391911/step, 1.45421 hours remaining, 113.781250 MB of memory in use. ENERGY: 1164200 643.9272 1841.2103 1947.0659 103.9937 1.8193 -1128.6016 0.0000 0.0000 2703.6815 6113.0963 298.6292 3409.4148 6147.6306 295.1970 LDB: ============= START OF LOAD BALANCING ============== 4699.18 LDB: ============== END OF LOAD BALANCING =============== 4699.18 LDB: =============== DONE WITH MIGRATION ================ 4699.18 LDB: ============= START OF LOAD BALANCING ============== 4699.58 LDB: ============== END OF LOAD BALANCING =============== 4699.58 LDB: =============== DONE WITH MIGRATION ================ 4699.58 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: 4697.27, 0.00392142/step Wall: 4697.27, 0.00392142/step, 1.45485 hours remaining, 113.781250 MB of memory in use. ENERGY: 1164400 639.1367 1878.2106 1956.9848 102.6498 1.7290 -1092.5009 0.0000 0.0000 2666.7721 6152.9822 294.5524 3486.2101 6184.3452 295.7001 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: 4699.43, 0.0108335/step Wall: 4699.43, 0.0108335/step, 4.01863 hours remaining, 113.781250 MB of memory in use. ENERGY: 1164600 680.9802 1865.1929 1961.0760 121.2094 2.7941 -1120.7878 0.0000 0.0000 2706.7727 6217.2376 298.9706 3510.4649 6248.5873 298.1107 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: 4700.22, 0.00394155/step Wall: 4700.22, 0.00394155/step, 1.46188 hours remaining, 113.781250 MB of memory in use. ENERGY: 1164800 671.1230 1794.9622 1966.9655 106.8192 2.3816 -1106.8943 0.0000 0.0000 2796.7680 6232.1252 308.9108 3435.3572 6270.6881 300.0869 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: 4701.01, 0.00391659/step Wall: 4701.01, 0.00391659/step, 1.4524 hours remaining, 113.781250 MB of memory in use. ENERGY: 1165000 611.2546 1806.3224 1982.2029 109.0614 2.7968 -1063.8608 0.0000 0.0000 2721.5351 6169.3125 300.6011 3447.7774 6203.9018 299.6060 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: 4701.79, 0.00391556/step Wall: 4701.79, 0.00391556/step, 1.4518 hours remaining, 113.781250 MB of memory in use. ENERGY: 1165200 696.3442 1867.6449 1925.6900 107.7342 2.3715 -1100.2552 0.0000 0.0000 2643.2990 6142.8288 291.9597 3499.5298 6173.0005 297.7393 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: 4702.57, 0.00391132/step Wall: 4702.57, 0.00391131/step, 1.45001 hours remaining, 113.781250 MB of memory in use. ENERGY: 1165400 645.6785 1809.9560 1925.0127 98.7020 0.9829 -1056.4979 0.0000 0.0000 2754.7574 6178.5916 304.2706 3423.8342 6214.3143 296.9983 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: 4703.35, 0.00391541/step Wall: 4703.35, 0.00391542/step, 1.45131 hours remaining, 113.781250 MB of memory in use. ENERGY: 1165600 623.4161 1851.3724 1969.0206 129.8650 1.9657 -1072.4339 0.0000 0.0000 2661.2657 6164.4716 293.9442 3503.2059 6195.1956 297.3870 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: 4704.14, 0.00391464/step Wall: 4704.14, 0.00391464/step, 1.45081 hours remaining, 113.781250 MB of memory in use. ENERGY: 1165800 655.1740 1852.2397 1953.7416 100.5750 2.6710 -1068.0924 0.0000 0.0000 2672.8233 6169.1322 295.2208 3496.3089 6198.7100 296.5074 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: 4704.92, 0.0039159/step Wall: 4704.92, 0.0039159/step, 1.45106 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1166000 628.1449 1832.6491 1976.8958 107.7214 2.6576 -1099.3999 0.0000 0.0000 2685.9559 6134.6248 296.6713 3448.6689 6166.2240 298.6746 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: 4705.7, 0.00390748/step Wall: 4705.7, 0.00390748/step, 1.44772 hours remaining, 113.781250 MB of memory in use. ENERGY: 1166200 655.4636 1867.8230 1925.8757 100.4066 2.1945 -1100.1383 0.0000 0.0000 2692.9347 6144.5598 297.4421 3451.6251 6176.1863 296.5397 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: 4706.48, 0.00391402/step Wall: 4706.48, 0.00391402/step, 1.44993 hours remaining, 113.781250 MB of memory in use. ENERGY: 1166400 666.9643 1846.6222 1961.0058 105.9103 1.9672 -1101.4978 0.0000 0.0000 2740.5582 6221.5302 302.7023 3480.9720 6253.1317 299.5331 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: 4707.27, 0.0039152/step Wall: 4707.27, 0.0039152/step, 1.45015 hours remaining, 113.781250 MB of memory in use. ENERGY: 1166600 636.6793 1914.7489 1953.5218 106.4504 2.1234 -1068.7054 0.0000 0.0000 2701.0173 6245.8357 298.3349 3544.8184 6276.2916 299.6315 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: 4708.05, 0.00391699/step Wall: 4708.05, 0.00391699/step, 1.45059 hours remaining, 113.781250 MB of memory in use. ENERGY: 1166800 691.5817 1844.9469 1961.6280 103.0385 2.4683 -1101.2178 0.0000 0.0000 2722.6022 6225.0478 300.7190 3502.4456 6257.4060 300.6181 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: 4708.83, 0.00391704/step Wall: 4708.83, 0.00391704/step, 1.45039 hours remaining, 113.781250 MB of memory in use. ENERGY: 1167000 684.5014 1876.4080 1933.5347 98.3991 2.7489 -1116.6275 0.0000 0.0000 2723.6977 6202.6623 300.8400 3478.9645 6237.4172 300.4491 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: 4709.62, 0.00390796/step Wall: 4709.62, 0.00390797/step, 1.44682 hours remaining, 113.781250 MB of memory in use. ENERGY: 1167200 658.4968 1854.2411 1943.3197 110.9779 3.1050 -1067.6737 0.0000 0.0000 2719.5150 6221.9819 300.3780 3502.4668 6257.8778 299.9619 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: 4710.4, 0.00391541/step Wall: 4710.4, 0.00391541/step, 1.44935 hours remaining, 113.781250 MB of memory in use. ENERGY: 1167400 697.8104 1879.3968 1916.2253 108.7952 1.5917 -1066.0338 0.0000 0.0000 2674.0031 6211.7887 295.3511 3537.7856 6240.0662 299.8244 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: 4711.18, 0.00391412/step Wall: 4711.18, 0.00391412/step, 1.44866 hours remaining, 113.781250 MB of memory in use. ENERGY: 1167600 697.2747 1876.2125 1947.4643 118.2991 1.5829 -1121.7470 0.0000 0.0000 2725.9310 6245.0174 301.0867 3519.0864 6279.7487 301.1704 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: 4711.96, 0.00391468/step Wall: 4711.96, 0.00391468/step, 1.44865 hours remaining, 113.781250 MB of memory in use. ENERGY: 1167800 620.3334 1846.2083 1950.2438 116.9632 0.6981 -1068.2135 0.0000 0.0000 2741.2305 6207.4639 302.7765 3466.2334 6241.4736 300.6792 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: 4712.75, 0.00390914/step Wall: 4712.75, 0.00390914/step, 1.44638 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1168000 658.4528 1860.6555 1960.1927 100.7818 0.6452 -1098.0189 0.0000 0.0000 2681.5125 6164.2216 296.1805 3482.7091 6196.4279 298.4122 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: 4713.53, 0.00391523/step Wall: 4713.53, 0.00391523/step, 1.44842 hours remaining, 113.781250 MB of memory in use. ENERGY: 1168200 627.7451 1874.0647 1943.8565 97.8122 1.6838 -1087.0387 0.0000 0.0000 2732.7554 6190.8790 301.8405 3458.1235 6221.9220 299.2634 LDB: ============= START OF LOAD BALANCING ============== 4716.23 LDB: ============== END OF LOAD BALANCING =============== 4716.23 LDB: =============== DONE WITH MIGRATION ================ 4716.23 LDB: ============= START OF LOAD BALANCING ============== 4716.62 LDB: ============== END OF LOAD BALANCING =============== 4716.62 LDB: =============== DONE WITH MIGRATION ================ 4716.62 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: 4714.31, 0.00392053/step Wall: 4714.31, 0.00392053/step, 1.45016 hours remaining, 113.781250 MB of memory in use. ENERGY: 1168400 642.0863 1870.8045 1967.7184 106.6431 2.2551 -1087.3299 0.0000 0.0000 2656.0748 6158.2523 293.3709 3502.1775 6191.2783 297.4464 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: 4715.1, 0.00391616/step Wall: 4715.1, 0.00391616/step, 1.44833 hours remaining, 113.781250 MB of memory in use. ENERGY: 1168600 631.4328 1870.0591 1906.9771 98.5933 2.3705 -1121.1761 0.0000 0.0000 2761.0974 6149.3540 304.9709 3388.2566 6182.4994 296.3548 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: 4715.88, 0.00391796/step Wall: 4715.88, 0.00391796/step, 1.44877 hours remaining, 113.781250 MB of memory in use. ENERGY: 1168800 648.8236 1803.8006 1950.6323 105.6711 2.4902 -1066.8807 0.0000 0.0000 2732.3960 6176.9330 301.8007 3444.5370 6208.5675 298.8446 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: 4716.66, 0.00391064/step Wall: 4716.66, 0.00391064/step, 1.44585 hours remaining, 113.781250 MB of memory in use. ENERGY: 1169000 639.8456 1912.4109 1983.3311 115.1376 1.9362 -1107.8485 0.0000 0.0000 2673.2451 6218.0578 295.2674 3544.8128 6251.4643 297.9990 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: 4717.45, 0.00391817/step Wall: 4717.45, 0.00391817/step, 1.44842 hours remaining, 113.781250 MB of memory in use. ENERGY: 1169200 649.6434 1933.4164 1957.8391 103.8977 2.7723 -1113.6009 0.0000 0.0000 2695.6604 6229.6285 297.7432 3533.9681 6260.7732 300.7554 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: 4718.23, 0.0039291/step Wall: 4718.23, 0.0039291/step, 1.45224 hours remaining, 113.781250 MB of memory in use. ENERGY: 1169400 625.9142 1846.2866 1952.7487 98.9839 1.9386 -1082.1904 0.0000 0.0000 2743.0709 6186.7525 302.9798 3443.6816 6219.1322 302.0036 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: 4719.02, 0.00391651/step Wall: 4719.02, 0.00391651/step, 1.44737 hours remaining, 113.781250 MB of memory in use. ENERGY: 1169600 630.5577 1875.8956 1940.1321 104.8144 2.6088 -1121.1663 0.0000 0.0000 2718.7841 6151.6265 300.2973 3432.8424 6186.4832 297.4051 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: 4719.8, 0.00391643/step Wall: 4719.8, 0.00391643/step, 1.44712 hours remaining, 113.781250 MB of memory in use. ENERGY: 1169800 637.1909 1848.9729 1923.6085 102.2292 3.5267 -1091.4101 0.0000 0.0000 2720.8441 6144.9622 300.5248 3424.1181 6178.7234 296.2392 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: 4720.58, 0.00391271/step Wall: 4720.58, 0.00391271/step, 1.44553 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1170000 657.0653 1877.0844 1932.6387 118.4782 2.9185 -1095.5054 0.0000 0.0000 2641.4281 6134.1078 291.7531 3492.6797 6168.5699 295.5181 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1170000 WRITING COORDINATES TO DCD FILE MD.1.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: 4721.83, 0.00623465/step Wall: 4721.83, 0.00623465/step, 2.30301 hours remaining, 113.781250 MB of memory in use. ENERGY: 1170200 638.2649 1860.0930 1945.5163 112.2143 2.0714 -1091.0619 0.0000 0.0000 2672.7000 6139.7979 295.2072 3467.0979 6176.7725 296.0608 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: 4722.61, 0.00391201/step Wall: 4722.61, 0.00391201/step, 1.44484 hours remaining, 113.781250 MB of memory in use. ENERGY: 1170400 648.7408 1877.8187 1916.5448 103.0673 1.6739 -1138.7310 0.0000 0.0000 2686.8759 6095.9905 296.7729 3409.1146 6126.3656 295.5502 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: 4723.39, 0.00391904/step Wall: 4723.39, 0.00391904/step, 1.44721 hours remaining, 113.781250 MB of memory in use. ENERGY: 1170600 625.2244 1884.4504 1957.5416 108.5983 1.9166 -1106.8973 0.0000 0.0000 2651.6231 6122.4571 292.8792 3470.8340 6154.9603 293.7509 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: 4724.18, 0.00391829/step Wall: 4724.18, 0.00391829/step, 1.44672 hours remaining, 113.781250 MB of memory in use. ENERGY: 1170800 636.6768 1847.3677 1936.5656 122.5473 1.9941 -1098.7202 0.0000 0.0000 2699.8967 6146.3280 298.2111 3446.4313 6181.1020 296.5182 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: 4724.96, 0.00391979/step Wall: 4724.96, 0.00391979/step, 1.44705 hours remaining, 113.781250 MB of memory in use. ENERGY: 1171000 674.2051 1873.2218 1916.5720 98.5330 1.4949 -1089.2623 0.0000 0.0000 2681.2032 6155.9677 296.1464 3474.7645 6191.0542 297.7028 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: 4725.74, 0.00391231/step Wall: 4725.74, 0.00391231/step, 1.44408 hours remaining, 113.781250 MB of memory in use. ENERGY: 1171200 675.0543 1885.5290 1935.3782 111.6679 -0.3427 -1112.7037 0.0000 0.0000 2737.3984 6231.9813 302.3533 3494.5828 6266.4379 298.3098 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: 4726.53, 0.0039175/step Wall: 4726.53, 0.0039175/step, 1.44578 hours remaining, 113.781250 MB of memory in use. ENERGY: 1171400 692.3609 1840.3241 1962.4703 97.0823 2.0911 -1107.3931 0.0000 0.0000 2770.7711 6257.7067 306.0394 3486.9356 6287.6395 301.8274 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: 4727.31, 0.00391556/step Wall: 4727.31, 0.00391556/step, 1.44484 hours remaining, 113.781250 MB of memory in use. ENERGY: 1171600 664.0567 1912.4617 1963.3724 102.9504 1.5709 -1091.3013 0.0000 0.0000 2668.8473 6221.9581 294.7816 3553.1108 6254.4921 301.7053 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: 4728.09, 0.00391644/step Wall: 4728.09, 0.00391644/step, 1.44495 hours remaining, 113.781250 MB of memory in use. ENERGY: 1171800 628.2825 1832.7939 1951.4020 113.6668 1.7320 -1069.2135 0.0000 0.0000 2706.0317 6164.6954 298.8887 3458.6637 6198.9111 299.5574 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: 4728.88, 0.00391839/step Wall: 4728.88, 0.00391839/step, 1.44545 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1172000 661.9356 1833.6829 1907.1739 101.7340 0.7813 -1096.1559 0.0000 0.0000 2715.3907 6124.5424 299.9225 3409.1517 6159.4939 296.5633 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: 4729.66, 0.00390998/step Wall: 4729.66, 0.00390998/step, 1.44213 hours remaining, 113.781250 MB of memory in use. ENERGY: 1172200 650.5863 1799.2463 1963.6899 98.8329 0.9312 -1086.3245 0.0000 0.0000 2680.3389 6107.3010 296.0509 3426.9621 6141.1699 296.3310 LDB: ============= START OF LOAD BALANCING ============== 4732.36 LDB: ============== END OF LOAD BALANCING =============== 4732.36 LDB: =============== DONE WITH MIGRATION ================ 4732.36 LDB: ============= START OF LOAD BALANCING ============== 4732.75 LDB: ============== END OF LOAD BALANCING =============== 4732.75 LDB: =============== DONE WITH MIGRATION ================ 4732.75 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: 4730.44, 0.00392101/step Wall: 4730.44, 0.00392101/step, 1.44598 hours remaining, 113.781250 MB of memory in use. ENERGY: 1172400 633.3925 1855.5107 1962.4235 97.6106 2.3714 -1147.3186 0.0000 0.0000 2686.9626 6090.9529 296.7825 3403.9903 6122.4341 295.5133 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: 4731.23, 0.00391564/step Wall: 4731.23, 0.00391564/step, 1.44378 hours remaining, 113.781250 MB of memory in use. ENERGY: 1172600 605.1375 1811.1441 1972.1059 103.2333 1.5108 -1099.6986 0.0000 0.0000 2769.2641 6162.6972 305.8729 3393.4330 6199.0432 296.3349 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: 4732.01, 0.0039176/step Wall: 4732.01, 0.0039176/step, 1.44429 hours remaining, 113.781250 MB of memory in use. ENERGY: 1172800 669.8975 1861.7333 1930.9120 105.6856 2.5317 -1084.4469 0.0000 0.0000 2747.8417 6234.1549 303.5068 3486.3132 6266.0446 300.7695 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: 4732.79, 0.00391055/step Wall: 4732.79, 0.00391055/step, 1.44147 hours remaining, 113.781250 MB of memory in use. ENERGY: 1173000 659.5237 1852.2139 1973.1441 119.1142 2.6809 -1084.6689 0.0000 0.0000 2732.5707 6254.5787 301.8200 3522.0080 6284.7958 300.4899 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: 4734.77, 0.00987244/step Wall: 4734.77, 0.00987244/step, 3.63854 hours remaining, 113.781250 MB of memory in use. ENERGY: 1173200 647.6289 1877.9868 1965.5434 106.5617 1.3939 -1062.3715 0.0000 0.0000 2709.5660 6246.3091 299.2791 3536.7432 6279.9583 301.3285 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: 4735.63, 0.00430558/step Wall: 4735.63, 0.00430558/step, 1.58661 hours remaining, 113.781250 MB of memory in use. ENERGY: 1173400 662.4164 1863.9435 1965.1843 107.4520 1.3691 -1072.9887 0.0000 0.0000 2717.2158 6244.5924 300.1241 3527.3766 6275.6079 301.3344 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: 4736.41, 0.00391777/step Wall: 4736.41, 0.00391777/step, 1.44348 hours remaining, 113.781250 MB of memory in use. ENERGY: 1173600 676.9773 1769.4195 1974.7896 114.3333 2.4616 -1101.2231 0.0000 0.0000 2786.3150 6223.0732 307.7562 3436.7583 6258.6282 301.9163 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: 4737.2, 0.00391605/step Wall: 4737.2, 0.00391605/step, 1.44263 hours remaining, 113.781250 MB of memory in use. ENERGY: 1173800 670.4810 1858.5020 1980.8879 109.0353 2.1360 -1122.7578 0.0000 0.0000 2671.5937 6169.8781 295.0850 3498.2844 6201.6774 299.4361 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: 4737.98, 0.00391456/step Wall: 4737.98, 0.00391456/step, 1.44186 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1174000 636.5298 1869.1870 1956.4333 99.1647 0.1096 -1106.5899 0.0000 0.0000 2675.6980 6130.5326 295.5383 3454.8346 6163.6553 296.0361 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: 4738.76, 0.0039098/step Wall: 4738.76, 0.0039098/step, 1.43989 hours remaining, 113.781250 MB of memory in use. ENERGY: 1174200 673.1509 1827.0612 1962.9131 98.9501 3.0939 -1070.1724 0.0000 0.0000 2636.0125 6131.0093 291.1549 3494.9968 6164.3438 296.1974 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: 4739.54, 0.0039168/step Wall: 4739.54, 0.0039168/step, 1.44225 hours remaining, 113.781250 MB of memory in use. ENERGY: 1174400 624.1007 1833.4830 1984.5393 102.0817 1.0034 -1075.2016 0.0000 0.0000 2705.5111 6175.5175 298.8312 3470.0064 6208.0521 297.3028 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: 4740.33, 0.00391739/step Wall: 4740.33, 0.00391739/step, 1.44225 hours remaining, 113.781250 MB of memory in use. ENERGY: 1174600 657.9228 1837.8070 1952.9027 111.9549 3.5609 -1101.8351 0.0000 0.0000 2710.4402 6172.7534 299.3757 3462.3132 6204.1679 297.2630 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: 4741.11, 0.0039167/step Wall: 4741.11, 0.0039167/step, 1.44178 hours remaining, 113.781250 MB of memory in use. ENERGY: 1174800 735.5411 1875.5197 1949.5757 109.7328 0.9489 -1136.1404 0.0000 0.0000 2676.5487 6211.7265 295.6323 3535.1777 6247.0973 299.8659 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: 4741.89, 0.00391785/step Wall: 4741.89, 0.00391785/step, 1.44198 hours remaining, 113.781250 MB of memory in use. ENERGY: 1175000 629.1531 1873.7779 1955.7096 105.0886 2.1745 -1106.6838 0.0000 0.0000 2741.0034 6200.2233 302.7515 3459.2199 6238.1801 300.1368 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: 4742.68, 0.00391176/step Wall: 4742.68, 0.00391176/step, 1.43953 hours remaining, 113.781250 MB of memory in use. ENERGY: 1175200 667.7481 1805.3511 1940.8622 118.4097 2.1029 -1088.8452 0.0000 0.0000 2726.4781 6172.1069 301.1471 3445.6288 6207.8612 299.0518 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: 4743.46, 0.00391513/step Wall: 4743.46, 0.00391513/step, 1.44055 hours remaining, 113.781250 MB of memory in use. ENERGY: 1175400 681.1221 1834.9523 1965.9914 123.5100 1.4802 -1091.1792 0.0000 0.0000 2703.2011 6219.0778 298.5761 3515.8767 6249.4439 299.5745 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: 4744.24, 0.00391229/step Wall: 4744.24, 0.00391229/step, 1.43929 hours remaining, 113.781250 MB of memory in use. ENERGY: 1175600 652.4095 1879.1515 1954.7904 112.2665 1.4713 -1065.5085 0.0000 0.0000 2691.2518 6225.8325 297.2563 3534.5807 6258.0093 301.8783 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: 4745.02, 0.00391461/step Wall: 4745.02, 0.00391461/step, 1.43992 hours remaining, 113.781250 MB of memory in use. ENERGY: 1175800 694.4359 1843.7885 1957.8067 102.0990 2.1302 -1116.9744 0.0000 0.0000 2746.0878 6229.3736 303.3130 3483.2859 6264.5007 301.4589 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: 4745.81, 0.00391047/step Wall: 4745.81, 0.00391047/step, 1.43818 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1176000 660.8596 1937.1606 1954.8356 92.4215 2.5131 -1130.3317 0.0000 0.0000 2752.5281 6269.9869 304.0244 3517.4588 6305.6916 301.8062 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: 4746.59, 0.00391618/step Wall: 4746.59, 0.00391618/step, 1.44007 hours remaining, 113.781250 MB of memory in use. ENERGY: 1176200 681.8267 1899.1811 1984.8979 114.4144 3.0757 -1132.3888 0.0000 0.0000 2700.3262 6251.3332 298.2585 3551.0070 6282.9193 302.6925 LDB: ============= START OF LOAD BALANCING ============== 4749.29 LDB: ============== END OF LOAD BALANCING =============== 4749.29 LDB: =============== DONE WITH MIGRATION ================ 4749.29 LDB: ============= START OF LOAD BALANCING ============== 4749.69 LDB: ============== END OF LOAD BALANCING =============== 4749.69 LDB: =============== DONE WITH MIGRATION ================ 4749.69 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: 4747.38, 0.0039385/step Wall: 4747.38, 0.0039385/step, 1.44806 hours remaining, 113.781250 MB of memory in use. ENERGY: 1176400 659.8951 1873.8321 1954.9901 95.3883 3.2570 -1064.2046 0.0000 0.0000 2684.9389 6208.0971 296.5590 3523.1582 6242.3292 300.4756 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: 4748.16, 0.00391793/step Wall: 4748.16, 0.00391794/step, 1.44028 hours remaining, 113.781250 MB of memory in use. ENERGY: 1176600 656.0366 1816.1815 1956.0351 120.8031 1.5500 -1074.4635 0.0000 0.0000 2707.4234 6183.5661 299.0425 3476.1427 6217.7559 298.0963 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: 4748.95, 0.00392069/step Wall: 4748.95, 0.00392069/step, 1.44107 hours remaining, 113.781250 MB of memory in use. ENERGY: 1176800 648.5522 1894.3347 1978.0113 109.2534 1.5919 -1077.0215 0.0000 0.0000 2626.0520 6180.7741 290.0548 3554.7221 6209.4286 296.2711 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: 4749.73, 0.00390919/step Wall: 4749.73, 0.00390919/step, 1.43663 hours remaining, 113.781250 MB of memory in use. ENERGY: 1177000 676.0961 1776.5287 1989.1972 114.2530 3.0394 -1047.5464 0.0000 0.0000 2733.4980 6245.0660 301.9225 3511.5680 6277.8125 299.8347 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: 4750.51, 0.00391389/step Wall: 4750.51, 0.00391389/step, 1.43814 hours remaining, 113.781250 MB of memory in use. ENERGY: 1177200 663.9998 1858.6045 1967.9365 93.4624 1.0682 -1091.0590 0.0000 0.0000 2690.2084 6184.2209 297.1410 3494.0125 6215.5699 299.8712 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: 4751.29, 0.00391313/step Wall: 4751.29, 0.00391313/step, 1.43764 hours remaining, 113.781250 MB of memory in use. ENERGY: 1177400 632.7901 1864.0296 1982.0493 105.6074 2.5067 -1076.6265 0.0000 0.0000 2693.1379 6203.4945 297.4646 3510.3565 6235.4076 299.2975 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: 4752.08, 0.00391312/step Wall: 4752.08, 0.00391311/step, 1.43742 hours remaining, 113.781250 MB of memory in use. ENERGY: 1177600 661.7105 1884.8894 1947.8425 114.6903 1.0071 -1099.6207 0.0000 0.0000 2678.0523 6188.5713 295.7983 3510.5190 6219.0526 297.5587 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: 4752.86, 0.00391438/step Wall: 4752.86, 0.00391439/step, 1.43767 hours remaining, 113.781250 MB of memory in use. ENERGY: 1177800 685.7984 1843.3304 1966.4705 112.1976 0.9174 -1125.8020 0.0000 0.0000 2707.7953 6190.7075 299.0835 3482.9122 6222.2266 297.9931 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: 4753.64, 0.00391042/step Wall: 4753.64, 0.00391042/step, 1.43599 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1178000 666.7016 1816.2486 1948.6789 105.9376 0.3751 -1082.1253 0.0000 0.0000 2700.0903 6155.9069 298.2325 3455.8166 6188.2552 297.0881 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: 4754.42, 0.00391447/step Wall: 4754.42, 0.00391447/step, 1.43726 hours remaining, 113.781250 MB of memory in use. ENERGY: 1178200 646.6913 1863.3787 1947.7526 115.6233 2.5993 -1061.4374 0.0000 0.0000 2647.8537 6162.4615 292.4628 3514.6078 6192.8314 296.1827 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: 4755.21, 0.0039162/step Wall: 4755.21, 0.0039162/step, 1.43768 hours remaining, 113.781250 MB of memory in use. ENERGY: 1178400 611.7371 1838.3672 1988.5685 108.1805 2.9339 -1069.9564 0.0000 0.0000 2701.7571 6181.5878 298.4166 3479.8307 6217.6912 297.2215 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: 4755.99, 0.00391492/step Wall: 4755.99, 0.00391491/step, 1.43699 hours remaining, 113.781250 MB of memory in use. ENERGY: 1178600 642.4325 1828.7362 1963.8710 112.6634 1.9397 -1092.7050 0.0000 0.0000 2702.5915 6159.5293 298.5088 3456.9378 6196.4601 296.7447 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: 4756.77, 0.00390951/step Wall: 4756.77, 0.00390952/step, 1.43479 hours remaining, 113.781250 MB of memory in use. ENERGY: 1178800 671.3031 1828.6524 1941.2918 113.3623 3.1870 -1089.6448 0.0000 0.0000 2665.2857 6133.4376 294.3882 3468.1519 6168.5939 296.6414 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: 4757.55, 0.00391571/step Wall: 4757.55, 0.00391571/step, 1.43685 hours remaining, 113.781250 MB of memory in use. ENERGY: 1179000 653.0977 1821.3542 1939.5935 107.2283 3.5411 -1087.1649 0.0000 0.0000 2685.4134 6123.0633 296.6114 3437.6499 6159.7086 295.7801 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: 4758.34, 0.00392181/step Wall: 4758.34, 0.00392181/step, 1.43887 hours remaining, 113.781250 MB of memory in use. ENERGY: 1179200 644.1941 1853.0456 1969.6187 112.0105 2.8616 -1112.9283 0.0000 0.0000 2681.5606 6150.3628 296.1858 3468.8022 6180.9029 294.4201 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: 4759.12, 0.00391627/step Wall: 4759.12, 0.00391627/step, 1.43662 hours remaining, 113.781250 MB of memory in use. ENERGY: 1179400 642.1603 1848.6937 1955.6650 104.9942 2.8743 -1101.8042 0.0000 0.0000 2713.6467 6166.2300 299.7298 3452.5833 6201.2721 294.8419 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: 4759.91, 0.00391604/step Wall: 4759.91, 0.00391604/step, 1.43632 hours remaining, 113.781250 MB of memory in use. ENERGY: 1179600 638.2229 1847.4186 1985.1135 117.3283 3.7230 -1061.1951 0.0000 0.0000 2674.9250 6205.5362 295.4529 3530.6112 6239.7734 296.1458 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: 4760.69, 0.00390837/step Wall: 4760.69, 0.00390837/step, 1.43328 hours remaining, 113.781250 MB of memory in use. ENERGY: 1179800 641.4734 1849.7897 1975.7562 114.0805 3.8486 -1083.8479 0.0000 0.0000 2721.8132 6222.9137 300.6319 3501.1005 6257.9096 298.1653 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: 4761.47, 0.00391462/step Wall: 4761.47, 0.00391462/step, 1.43536 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1180000 694.9640 1883.7143 1936.3659 108.3517 3.0702 -1093.8924 0.0000 0.0000 2672.9500 6205.5237 295.2348 3532.5737 6238.4134 299.8737 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1180000 WRITING COORDINATES TO DCD FILE MD.1.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: 4762.63, 0.0058004/step Wall: 4762.63, 0.0058004/step, 2.12649 hours remaining, 113.781250 MB of memory in use. ENERGY: 1180200 683.4082 1866.0909 1939.0122 109.7781 4.5520 -1072.6855 0.0000 0.0000 2685.4773 6215.6331 296.6185 3530.1558 6246.0163 299.6751 LDB: ============= START OF LOAD BALANCING ============== 4765.33 LDB: ============== END OF LOAD BALANCING =============== 4765.33 LDB: =============== DONE WITH MIGRATION ================ 4765.33 LDB: ============= START OF LOAD BALANCING ============== 4765.72 LDB: ============== END OF LOAD BALANCING =============== 4765.72 LDB: =============== DONE WITH MIGRATION ================ 4765.72 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: 4763.41, 0.00391925/step Wall: 4763.41, 0.00391925/step, 1.43662 hours remaining, 113.781250 MB of memory in use. ENERGY: 1180400 664.8038 1843.0683 1934.1860 116.7427 3.3679 -1080.8344 0.0000 0.0000 2666.8885 6148.2227 294.5653 3481.3342 6181.5942 298.1657 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: 4764.2, 0.00391576/step Wall: 4764.2, 0.00391576/step, 1.43512 hours remaining, 113.781250 MB of memory in use. ENERGY: 1180600 667.0365 1844.6345 1934.0117 109.7230 4.1381 -1066.7016 0.0000 0.0000 2643.1052 6135.9472 291.9383 3492.8421 6169.1559 295.6544 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: 4764.98, 0.00391707/step Wall: 4764.98, 0.00391707/step, 1.43539 hours remaining, 113.781250 MB of memory in use. ENERGY: 1180800 622.8773 1832.3210 1940.4303 106.4235 3.7476 -1044.0413 0.0000 0.0000 2644.9895 6106.7478 292.1465 3461.7583 6137.6008 295.9849 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: 4765.76, 0.00391108/step Wall: 4765.76, 0.00391107/step, 1.43297 hours remaining, 113.781250 MB of memory in use. ENERGY: 1181000 688.7670 1887.1942 1944.0735 114.9330 4.0448 -1095.3782 0.0000 0.0000 2641.5218 6185.1561 291.7634 3543.6343 6217.2683 295.2617 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: 4766.55, 0.0039152/step Wall: 4766.55, 0.00391521/step, 1.43427 hours remaining, 113.781250 MB of memory in use. ENERGY: 1181200 661.6658 1888.4725 1937.8280 106.3062 3.5736 -1060.0139 0.0000 0.0000 2663.9567 6201.7888 294.2414 3537.8321 6233.9417 298.0274 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: 4767.33, 0.00391482/step Wall: 4767.33, 0.00391482/step, 1.43391 hours remaining, 113.781250 MB of memory in use. ENERGY: 1181400 650.8011 1826.7178 1945.6565 103.8384 1.5454 -1023.7894 0.0000 0.0000 2702.5220 6207.2917 298.5011 3504.7697 6239.9794 298.1141 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: 4768.11, 0.00391459/step Wall: 4768.11, 0.00391459/step, 1.43361 hours remaining, 113.781250 MB of memory in use. ENERGY: 1181600 662.9269 1818.7956 1964.8672 100.2423 1.3672 -1071.9865 0.0000 0.0000 2704.6871 6180.8999 298.7402 3476.2127 6214.5311 296.6665 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: 4768.89, 0.00391619/step Wall: 4768.89, 0.00391619/step, 1.43398 hours remaining, 113.781250 MB of memory in use. ENERGY: 1181800 679.8033 1859.1308 1963.1131 113.9159 1.6098 -1054.5333 0.0000 0.0000 2695.8532 6258.8926 297.7645 3563.0394 6292.6950 299.0374 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: 4769.68, 0.00390889/step Wall: 4769.68, 0.00390889/step, 1.43109 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1182000 658.6434 1861.0934 1956.1927 107.7374 0.8791 -1084.8026 0.0000 0.0000 2731.1670 6230.9104 301.6650 3499.7434 6264.3044 299.5836 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: 4770.46, 0.00391739/step Wall: 4770.46, 0.00391739/step, 1.43398 hours remaining, 113.781250 MB of memory in use. ENERGY: 1182200 658.8432 1933.9108 1930.5030 113.4130 1.0930 -1089.4628 0.0000 0.0000 2704.8733 6253.1734 298.7608 3548.3001 6287.0096 300.6017 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: 4771.24, 0.00391665/step Wall: 4771.24, 0.00391665/step, 1.4335 hours remaining, 113.781250 MB of memory in use. ENERGY: 1182400 642.5052 1814.8490 1945.7998 108.9305 3.5936 -1052.3289 0.0000 0.0000 2717.8174 6181.1666 300.1905 3463.3492 6216.0345 298.0439 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: 4772.03, 0.00391834/step Wall: 4772.03, 0.00391834/step, 1.4339 hours remaining, 113.781250 MB of memory in use. ENERGY: 1182600 646.8720 1869.6839 1956.6187 109.7496 2.9265 -1074.8325 0.0000 0.0000 2679.5940 6190.6122 295.9686 3511.0182 6223.9437 298.8290 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: 4772.81, 0.00391245/step Wall: 4772.81, 0.00391245/step, 1.43152 hours remaining, 113.781250 MB of memory in use. ENERGY: 1182800 644.0028 1853.6459 1940.3027 115.5633 2.3736 -1041.6791 0.0000 0.0000 2711.6233 6225.8324 299.5063 3514.2092 6260.3906 298.4562 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: 4773.59, 0.00391813/step Wall: 4773.59, 0.00391813/step, 1.43338 hours remaining, 113.781250 MB of memory in use. ENERGY: 1183000 628.2025 1910.4567 1962.0641 103.7872 2.0913 -1103.5104 0.0000 0.0000 2714.1138 6217.2052 299.7814 3503.0914 6251.2335 300.7902 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: 4774.38, 0.00391784/step Wall: 4774.38, 0.00391784/step, 1.43306 hours remaining, 113.781250 MB of memory in use. ENERGY: 1183200 642.2507 1879.6710 1983.5982 104.8342 3.2081 -1104.0038 0.0000 0.0000 2763.0752 6272.6336 305.1894 3509.5584 6305.5577 301.5431 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: 4775.16, 0.00391677/step Wall: 4775.16, 0.00391677/step, 1.43245 hours remaining, 113.781250 MB of memory in use. ENERGY: 1183400 658.2165 1884.7649 1952.7179 111.0104 4.2377 -1088.7530 0.0000 0.0000 2668.0391 6190.2334 294.6924 3522.1943 6220.9607 301.1288 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: 4775.94, 0.00391823/step Wall: 4775.94, 0.00391823/step, 1.43277 hours remaining, 113.781250 MB of memory in use. ENERGY: 1183600 649.8497 1908.1201 1956.6877 104.2136 4.2354 -1083.9486 0.0000 0.0000 2661.5973 6200.7552 293.9808 3539.1579 6230.7239 299.0083 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: 4776.73, 0.00391206/step Wall: 4776.73, 0.00391206/step, 1.43029 hours remaining, 113.781250 MB of memory in use. ENERGY: 1183800 629.0490 1852.5773 1949.9211 100.3916 1.3708 -1072.0391 0.0000 0.0000 2733.2771 6194.5478 301.8981 3461.2707 6228.8328 297.6538 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: 4777.51, 0.00391786/step Wall: 4777.51, 0.00391786/step, 1.4322 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1184000 667.8811 1865.9679 1937.8343 111.3943 2.9897 -1095.5319 0.0000 0.0000 2707.0195 6197.5549 298.9978 3490.5354 6231.9906 298.8152 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: 4778.29, 0.00391935/step Wall: 4778.29, 0.00391935/step, 1.43252 hours remaining, 113.781250 MB of memory in use. ENERGY: 1184200 689.5573 1898.7827 1922.8350 97.3417 1.8636 -1145.8938 0.0000 0.0000 2720.3512 6184.8377 300.4704 3464.4865 6219.0278 299.0489 LDB: ============= START OF LOAD BALANCING ============== 4780.99 LDB: ============== END OF LOAD BALANCING =============== 4780.99 LDB: =============== DONE WITH MIGRATION ================ 4780.99 LDB: ============= START OF LOAD BALANCING ============== 4781.39 LDB: ============== END OF LOAD BALANCING =============== 4781.39 LDB: =============== DONE WITH MIGRATION ================ 4781.39 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: 4779.08, 0.00392529/step Wall: 4779.08, 0.00392529/step, 1.43447 hours remaining, 113.781250 MB of memory in use. ENERGY: 1184400 638.9027 1869.5890 1957.9958 114.1364 1.4553 -1089.6097 0.0000 0.0000 2663.7626 6156.2320 294.2200 3492.4694 6186.6285 298.0387 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: 4779.86, 0.00391237/step Wall: 4779.86, 0.00391237/step, 1.42954 hours remaining, 113.781250 MB of memory in use. ENERGY: 1184600 689.9955 1887.7373 1951.9838 112.4911 0.3429 -1106.3035 0.0000 0.0000 2629.2523 6165.4995 290.4082 3536.2472 6194.9139 297.3157 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: 4780.64, 0.00391852/step Wall: 4780.64, 0.00391852/step, 1.43156 hours remaining, 113.781250 MB of memory in use. ENERGY: 1184800 695.1851 1834.4059 1961.8979 97.0063 0.9456 -1060.7435 0.0000 0.0000 2695.0372 6223.7346 297.6744 3528.6973 6255.3856 299.2897 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: 4781.43, 0.0039182/step Wall: 4781.43, 0.0039182/step, 1.43123 hours remaining, 113.781250 MB of memory in use. ENERGY: 1185000 662.7261 1856.6543 1973.1170 96.7853 1.1711 -1105.5853 0.0000 0.0000 2692.1177 6176.9863 297.3519 3484.8686 6210.6620 298.7289 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: 4782.21, 0.00391879/step Wall: 4782.21, 0.00391879/step, 1.43123 hours remaining, 113.781250 MB of memory in use. ENERGY: 1185200 682.2715 1797.3494 1963.7837 102.2105 2.2190 -1094.4620 0.0000 0.0000 2707.9545 6161.3267 299.1011 3453.3721 6194.2376 297.9396 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: 4783, 0.00392012/step Wall: 4783, 0.00392012/step, 1.4315 hours remaining, 113.781250 MB of memory in use. ENERGY: 1185400 637.7955 1875.4415 1940.9365 115.4345 2.1666 -1109.2509 0.0000 0.0000 2699.4738 6161.9975 298.1644 3462.5237 6196.3424 296.3659 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: 4783.78, 0.00391162/step Wall: 4783.78, 0.00391162/step, 1.42817 hours remaining, 113.781250 MB of memory in use. ENERGY: 1185600 665.1330 1797.9045 1937.5437 102.1522 3.1219 -1102.1510 0.0000 0.0000 2704.5280 6108.2323 298.7227 3403.7043 6141.6417 296.3166 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: 4784.56, 0.00391959/step Wall: 4784.56, 0.00391959/step, 1.43087 hours remaining, 113.781250 MB of memory in use. ENERGY: 1185800 675.4826 1906.3168 1978.3428 126.2218 1.8597 -1094.9665 0.0000 0.0000 2651.7741 6245.0314 292.8958 3593.2573 6276.0675 298.7088 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: 4785.35, 0.00391861/step Wall: 4785.35, 0.00391861/step, 1.43029 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1186000 645.6679 1883.4810 2005.8303 110.8854 2.8874 -1108.7715 0.0000 0.0000 2660.0063 6199.9869 293.8051 3539.9805 6232.1845 299.4607 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: 4786.13, 0.00391833/step Wall: 4786.13, 0.00391833/step, 1.42997 hours remaining, 113.781250 MB of memory in use. ENERGY: 1186200 640.8218 1838.5921 1943.7572 105.1330 2.0614 -1124.4860 0.0000 0.0000 2763.9262 6169.8057 305.2834 3405.8795 6203.4170 298.8592 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: 4786.91, 0.00391479/step Wall: 4786.91, 0.00391479/step, 1.42846 hours remaining, 113.781250 MB of memory in use. ENERGY: 1186400 684.4793 1836.5342 1949.3445 108.1520 2.0576 -1081.8651 0.0000 0.0000 2676.6503 6175.3529 295.6435 3498.7026 6205.4554 299.5640 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: 4787.7, 0.00391536/step Wall: 4787.7, 0.00391536/step, 1.42845 hours remaining, 113.781250 MB of memory in use. ENERGY: 1186600 651.5158 1814.0458 1931.2772 97.2194 2.0826 -1054.5583 0.0000 0.0000 2742.5539 6184.1365 302.9227 3441.5826 6217.4490 298.3563 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: 4788.48, 0.0039184/step Wall: 4788.48, 0.0039184/step, 1.42935 hours remaining, 113.781250 MB of memory in use. ENERGY: 1186800 650.2319 1838.4328 1945.2190 111.2785 3.8747 -1072.7420 0.0000 0.0000 2720.6375 6196.9326 300.5020 3476.2951 6230.6406 298.9238 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: 4789.26, 0.00391648/step Wall: 4789.26, 0.00391648/step, 1.42843 hours remaining, 113.781250 MB of memory in use. ENERGY: 1187000 649.1028 1818.2018 1941.0699 114.6390 2.5801 -1075.5504 0.0000 0.0000 2729.3610 6179.4042 301.4655 3450.0432 6212.9659 298.0632 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: 4790.05, 0.00391745/step Wall: 4790.05, 0.00391745/step, 1.42857 hours remaining, 113.781250 MB of memory in use. ENERGY: 1187200 617.4139 1860.0574 1948.7970 108.1417 2.9741 -1065.3236 0.0000 0.0000 2704.9281 6176.9885 298.7668 3472.0604 6209.4074 297.8834 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: 4790.83, 0.00390983/step Wall: 4790.83, 0.00390983/step, 1.42557 hours remaining, 113.781250 MB of memory in use. ENERGY: 1187400 635.1960 1865.4968 1976.5625 104.3497 2.6651 -1101.6192 0.0000 0.0000 2710.8502 6193.5011 299.4210 3482.6509 6226.0403 298.8102 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: 4791.61, 0.00391692/step Wall: 4791.61, 0.00391692/step, 1.42793 hours remaining, 113.781250 MB of memory in use. ENERGY: 1187600 663.4723 1896.1012 1963.2836 113.7274 2.6322 -1103.3918 0.0000 0.0000 2713.3805 6249.2055 299.7004 3535.8250 6279.5250 302.0239 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: 4792.4, 0.00391861/step Wall: 4792.4, 0.00391861/step, 1.42833 hours remaining, 113.781250 MB of memory in use. ENERGY: 1187800 684.9812 1805.4180 1967.5450 93.7627 3.9352 -1079.6779 0.0000 0.0000 2726.5747 6202.5389 301.1578 3475.9643 6236.7990 302.4078 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: 4793.18, 0.00391891/step Wall: 4793.18, 0.00391891/step, 1.42822 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1188000 695.3401 1844.0927 1961.1036 105.0941 3.6690 -1082.6192 0.0000 0.0000 2719.2834 6245.9638 300.3524 3526.6803 6278.5141 300.8222 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: 4793.96, 0.00391713/step Wall: 4793.96, 0.00391713/step, 1.42736 hours remaining, 113.781250 MB of memory in use. ENERGY: 1188200 609.2597 1893.4607 1946.9992 98.4712 3.1639 -1047.6059 0.0000 0.0000 2742.8752 6246.6240 302.9582 3503.7488 6280.2554 301.1767 LDB: ============= START OF LOAD BALANCING ============== 4796.66 LDB: ============== END OF LOAD BALANCING =============== 4796.66 LDB: =============== DONE WITH MIGRATION ================ 4796.66 LDB: ============= START OF LOAD BALANCING ============== 4797.06 LDB: ============== END OF LOAD BALANCING =============== 4797.06 LDB: =============== DONE WITH MIGRATION ================ 4797.06 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: 4794.75, 0.00391684/step Wall: 4794.75, 0.00391684/step, 1.42704 hours remaining, 113.781250 MB of memory in use. ENERGY: 1188400 653.7444 1783.7828 1962.2627 114.2531 2.8991 -1063.5029 0.0000 0.0000 2750.0404 6203.4794 303.7496 3453.4391 6238.3538 301.0111 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: 4795.53, 0.00391828/step Wall: 4795.53, 0.00391828/step, 1.42734 hours remaining, 113.781250 MB of memory in use. ENERGY: 1188600 663.4306 1847.5237 1952.1697 101.3312 2.2698 -1096.7303 0.0000 0.0000 2718.0548 6188.0495 300.2167 3469.9947 6220.6295 299.0547 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: 4796.31, 0.00391868/step Wall: 4796.31, 0.00391868/step, 1.42727 hours remaining, 113.781250 MB of memory in use. ENERGY: 1188800 644.1417 1830.6888 1927.4759 113.8101 2.4075 -1051.2387 0.0000 0.0000 2686.6229 6153.9081 296.7450 3467.2852 6183.5890 298.8800 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: 4797.1, 0.00391834/step Wall: 4797.1, 0.00391834/step, 1.42693 hours remaining, 113.781250 MB of memory in use. ENERGY: 1189000 632.3114 1858.8117 1951.5158 101.1377 1.9973 -1096.6854 0.0000 0.0000 2697.7595 6146.8480 297.9750 3449.0886 6179.9268 297.1757 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: 4797.88, 0.00391101/step Wall: 4797.88, 0.00391101/step, 1.42404 hours remaining, 113.781250 MB of memory in use. ENERGY: 1189200 617.2599 1857.1786 1954.6553 97.3529 1.2280 -1073.1618 0.0000 0.0000 2748.7022 6203.2151 303.6018 3454.5129 6238.9327 298.5536 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: 4798.66, 0.00392601/step Wall: 4798.66, 0.00392601/step, 1.42929 hours remaining, 113.781250 MB of memory in use. ENERGY: 1189400 673.0988 1873.7546 1953.0673 107.1816 3.3992 -1068.5382 0.0000 0.0000 2673.7103 6215.6737 295.3188 3541.9634 6248.9236 300.1374 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: 4799.45, 0.00391781/step Wall: 4799.45, 0.00391781/step, 1.42608 hours remaining, 113.781250 MB of memory in use. ENERGY: 1189600 664.1514 1839.2423 1952.4927 106.8392 2.7104 -1065.2496 0.0000 0.0000 2731.5068 6231.6932 301.7025 3500.1864 6266.1934 300.1988 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: 4800.23, 0.00391794/step Wall: 4800.23, 0.00391794/step, 1.42591 hours remaining, 113.781250 MB of memory in use. ENERGY: 1189800 663.9263 1857.4030 1960.3635 114.4069 1.9277 -1068.7534 0.0000 0.0000 2703.6857 6232.9596 298.6296 3529.2740 6267.1738 300.4400 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: 4801.02, 0.00393001/step Wall: 4801.02, 0.00393001/step, 1.43009 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1190000 697.2010 1827.6863 1961.2699 99.5335 3.3782 -1048.9279 0.0000 0.0000 2685.7014 6225.8423 296.6432 3540.1410 6255.3140 301.4508 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1190000 WRITING COORDINATES TO DCD FILE MD.1.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: 4803.03, 0.0100691/step Wall: 4803.03, 0.0100691/step, 3.66346 hours remaining, 113.781250 MB of memory in use. ENERGY: 1190200 680.8366 1883.7364 1921.4978 111.0122 2.3292 -1107.0531 0.0000 0.0000 2739.3374 6231.6965 302.5675 3492.3590 6265.8417 299.4778 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: 4803.82, 0.00392278/step Wall: 4803.82, 0.00392278/step, 1.42702 hours remaining, 113.781250 MB of memory in use. ENERGY: 1190400 660.0763 1845.5592 1979.3042 102.6124 1.4083 -1111.9404 0.0000 0.0000 2741.9115 6218.9316 302.8518 3477.0201 6254.0059 303.1594 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: 4804.6, 0.00392133/step Wall: 4804.6, 0.00392133/step, 1.42627 hours remaining, 113.781250 MB of memory in use. ENERGY: 1190600 648.7113 1844.9059 1956.3881 108.3759 1.3168 -1048.5825 0.0000 0.0000 2748.7852 6259.9006 303.6110 3511.1154 6294.6022 303.2521 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: 4805.38, 0.00391829/step Wall: 4805.38, 0.00391829/step, 1.42495 hours remaining, 113.781250 MB of memory in use. ENERGY: 1190800 683.7163 1871.7721 1955.2849 97.6295 2.4802 -1101.0186 0.0000 0.0000 2775.4728 6285.3373 306.5587 3509.8645 6320.5401 304.4798 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: 4806.17, 0.00391716/step Wall: 4806.17, 0.00391716/step, 1.42432 hours remaining, 113.781250 MB of memory in use. ENERGY: 1191000 667.9215 1871.2182 1943.2457 120.1360 1.9732 -1089.5502 0.0000 0.0000 2808.1674 6323.1118 310.1699 3514.9444 6358.9972 303.8029 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: 4806.95, 0.00391222/step Wall: 4806.95, 0.00391222/step, 1.42231 hours remaining, 113.781250 MB of memory in use. ENERGY: 1191200 633.0697 1879.8744 1991.7633 102.5557 1.4797 -1064.3798 0.0000 0.0000 2755.8536 6300.2166 304.3917 3544.3630 6336.0768 305.4931 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: 4807.74, 0.00392599/step Wall: 4807.74, 0.00392599/step, 1.4271 hours remaining, 113.781250 MB of memory in use. ENERGY: 1191400 660.5581 1837.7662 1956.5000 113.1146 1.8474 -1032.7183 0.0000 0.0000 2740.3238 6277.3918 302.6764 3537.0680 6311.8255 303.6317 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: 4808.52, 0.00391917/step Wall: 4808.52, 0.00391917/step, 1.4244 hours remaining, 113.781250 MB of memory in use. ENERGY: 1191600 634.2486 1886.4587 1964.0225 104.0354 2.2001 -1110.0788 0.0000 0.0000 2701.8364 6182.7229 298.4254 3480.8865 6215.9836 300.8414 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: 4809.3, 0.00391856/step Wall: 4809.3, 0.00391856/step, 1.42396 hours remaining, 113.781250 MB of memory in use. ENERGY: 1191800 683.2680 1842.9038 1970.5571 111.7983 0.5294 -1073.8200 0.0000 0.0000 2726.0182 6261.2550 301.0963 3535.2367 6290.1051 300.4718 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: 4810.09, 0.00391744/step Wall: 4810.09, 0.00391744/step, 1.42334 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1192000 630.5166 1879.1434 1997.7593 104.0910 0.6395 -1087.3422 0.0000 0.0000 2735.9028 6260.7105 302.1881 3524.8077 6292.8788 301.7967 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: 4810.87, 0.003912/step Wall: 4810.87, 0.003912/step, 1.42114 hours remaining, 113.781250 MB of memory in use. ENERGY: 1192200 664.3060 1835.2657 1962.1742 107.1658 0.5180 -1058.6257 0.0000 0.0000 2742.9127 6253.7168 302.9623 3510.8041 6284.6449 302.3903 LDB: ============= START OF LOAD BALANCING ============== 4813.57 LDB: ============== END OF LOAD BALANCING =============== 4813.57 LDB: =============== DONE WITH MIGRATION ================ 4813.57 LDB: ============= START OF LOAD BALANCING ============== 4813.96 LDB: ============== END OF LOAD BALANCING =============== 4813.96 LDB: =============== DONE WITH MIGRATION ================ 4813.96 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: 4811.65, 0.00392252/step Wall: 4811.65, 0.00392252/step, 1.42475 hours remaining, 113.781250 MB of memory in use. ENERGY: 1192400 666.8784 1851.1748 1941.4226 110.4631 -0.0050 -1055.0279 0.0000 0.0000 2728.0633 6242.9692 301.3222 3514.9059 6275.3953 301.9892 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: 4812.44, 0.00391787/step Wall: 4812.44, 0.00391787/step, 1.42284 hours remaining, 113.781250 MB of memory in use. ENERGY: 1192600 668.3933 1897.5056 1962.0318 110.0365 1.6273 -1054.5199 0.0000 0.0000 2688.3599 6273.4343 296.9368 3585.0745 6302.2863 303.7335 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: 4813.22, 0.00391641/step Wall: 4813.22, 0.00391641/step, 1.42209 hours remaining, 113.781250 MB of memory in use. ENERGY: 1192800 634.7407 1886.2670 1966.7240 110.7711 1.7484 -1095.2335 0.0000 0.0000 2738.6456 6243.6633 302.4910 3505.0176 6275.2542 303.3951 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: 4814, 0.00391634/step Wall: 4814, 0.00391634/step, 1.42185 hours remaining, 113.781250 MB of memory in use. ENERGY: 1193000 661.3330 1826.6900 1956.1544 119.7161 2.3977 -1051.5849 0.0000 0.0000 2696.5432 6211.2494 297.8407 3514.7062 6244.9731 301.9205 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: 4814.79, 0.00391003/step Wall: 4814.79, 0.00391003/step, 1.41934 hours remaining, 113.781250 MB of memory in use. ENERGY: 1193200 615.0252 1843.5480 1948.4191 109.8938 2.9912 -1047.6272 0.0000 0.0000 2749.1164 6221.3665 303.6476 3472.2501 6253.9292 298.3243 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: 4815.57, 0.00391649/step Wall: 4815.57, 0.00391649/step, 1.42147 hours remaining, 113.781250 MB of memory in use. ENERGY: 1193400 637.6494 1828.0106 1975.6989 106.7129 2.0677 -1096.9317 0.0000 0.0000 2700.6132 6153.8209 298.2903 3453.2077 6184.5839 298.2344 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: 4816.35, 0.00391776/step Wall: 4816.35, 0.00391776/step, 1.42171 hours remaining, 113.781250 MB of memory in use. ENERGY: 1193600 654.4436 1838.3724 1931.1461 111.5624 2.4696 -1058.7317 0.0000 0.0000 2622.1457 6101.4081 289.6233 3479.2624 6131.7642 294.8262 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: 4817.14, 0.00391595/step Wall: 4817.14, 0.00391595/step, 1.42084 hours remaining, 113.781250 MB of memory in use. ENERGY: 1193800 651.4195 1754.7281 1949.9956 104.8091 2.3454 -1026.1897 0.0000 0.0000 2709.4738 6146.5819 299.2689 3437.1081 6179.3036 293.8486 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: 4817.92, 0.00391142/step Wall: 4817.92, 0.00391142/step, 1.41897 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1194000 646.7551 1769.5357 1997.7840 110.9088 1.1117 -1103.9717 0.0000 0.0000 2754.9313 6177.0550 304.2898 3422.1236 6212.0117 296.2352 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: 4818.7, 0.00391836/step Wall: 4818.7, 0.00391836/step, 1.42128 hours remaining, 113.781250 MB of memory in use. ENERGY: 1194200 647.9690 1876.1797 1995.7009 110.5204 2.8996 -1064.4141 0.0000 0.0000 2708.5356 6277.3912 299.1653 3568.8556 6309.7803 299.4271 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: 4819.48, 0.00391449/step Wall: 4819.48, 0.00391449/step, 1.41965 hours remaining, 113.781250 MB of memory in use. ENERGY: 1194400 674.6039 1878.3757 1993.1477 110.0179 1.2759 -1076.4585 0.0000 0.0000 2665.8803 6246.8429 294.4539 3580.9626 6277.7496 302.5631 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: 4820.27, 0.00391492/step Wall: 4820.27, 0.00391492/step, 1.41959 hours remaining, 113.781250 MB of memory in use. ENERGY: 1194600 666.0998 1829.9096 1977.5081 103.0176 1.3331 -1048.4309 0.0000 0.0000 2740.6717 6270.1090 302.7148 3529.4372 6303.3749 301.2601 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: 4821.05, 0.00391439/step Wall: 4821.05, 0.00391439/step, 1.41918 hours remaining, 113.781250 MB of memory in use. ENERGY: 1194800 645.9821 1879.9513 1993.0460 111.4248 0.9979 -1076.2610 0.0000 0.0000 2746.7880 6301.9291 303.3904 3555.1411 6332.4296 301.1407 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: 4821.83, 0.00390921/step Wall: 4821.83, 0.00390921/step, 1.41709 hours remaining, 113.781250 MB of memory in use. ENERGY: 1195000 621.2120 1897.7462 1973.1250 106.5579 1.7153 -1069.9351 0.0000 0.0000 2756.0374 6286.4587 304.4120 3530.4213 6321.2364 304.1407 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: 4822.62, 0.00391697/step Wall: 4822.62, 0.00391697/step, 1.41968 hours remaining, 113.781250 MB of memory in use. ENERGY: 1195200 673.0433 1856.4021 1976.2254 101.7203 1.9536 -1109.0186 0.0000 0.0000 2772.1862 6272.5122 306.1957 3500.3260 6304.0178 303.2266 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: 4823.4, 0.00391731/step Wall: 4823.4, 0.00391731/step, 1.41959 hours remaining, 113.781250 MB of memory in use. ENERGY: 1195400 651.8490 1859.2971 1967.4147 104.8303 1.8612 -1063.2436 0.0000 0.0000 2745.1014 6267.1101 303.2041 3522.0087 6298.9003 302.2036 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: 4824.18, 0.00391573/step Wall: 4824.18, 0.00391573/step, 1.4188 hours remaining, 113.781250 MB of memory in use. ENERGY: 1195600 689.6983 1834.8024 1967.3273 127.0296 1.3649 -1080.6753 0.0000 0.0000 2732.4570 6272.0042 301.8075 3539.5472 6305.2570 301.5253 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: 4824.96, 0.00391201/step Wall: 4824.96, 0.00391201/step, 1.41723 hours remaining, 113.781250 MB of memory in use. ENERGY: 1195800 639.2133 1839.2023 1956.9896 112.0906 0.2507 -1053.8535 0.0000 0.0000 2720.4181 6214.3112 300.4778 3493.8931 6248.9196 300.1160 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: 4825.75, 0.00391687/step Wall: 4825.75, 0.00391687/step, 1.41878 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1196000 656.0359 1834.4957 1952.5632 110.2995 1.0636 -1080.2954 0.0000 0.0000 2710.5232 6184.6857 299.3848 3474.1625 6220.0754 298.4499 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: 4826.53, 0.0039165/step Wall: 4826.53, 0.0039165/step, 1.41843 hours remaining, 113.781250 MB of memory in use. ENERGY: 1196200 659.0430 1843.3996 1957.3298 117.9002 0.7212 -1085.1028 0.0000 0.0000 2720.6728 6213.9639 300.5059 3493.2912 6245.7289 299.0855 LDB: ============= START OF LOAD BALANCING ============== 4829.23 LDB: ============== END OF LOAD BALANCING =============== 4829.23 LDB: =============== DONE WITH MIGRATION ================ 4829.23 LDB: ============= START OF LOAD BALANCING ============== 4829.62 LDB: ============== END OF LOAD BALANCING =============== 4829.62 LDB: =============== DONE WITH MIGRATION ================ 4829.62 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: 4827.32, 0.00392133/step Wall: 4827.32, 0.00392133/step, 1.41996 hours remaining, 113.781250 MB of memory in use. ENERGY: 1196400 643.1237 1874.3348 1976.6309 107.4460 1.9978 -1087.3758 0.0000 0.0000 2659.4339 6175.5913 293.7419 3516.1574 6208.2968 298.6999 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: 4828.1, 0.00391687/step Wall: 4828.1, 0.00391687/step, 1.41812 hours remaining, 113.781250 MB of memory in use. ENERGY: 1196600 665.1897 1881.8611 1986.9988 109.9879 1.0893 -1098.5480 0.0000 0.0000 2690.8155 6237.3943 297.2081 3546.5787 6271.5434 300.8837 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: 4828.88, 0.0039128/step Wall: 4828.88, 0.0039128/step, 1.41644 hours remaining, 113.781250 MB of memory in use. ENERGY: 1196800 659.8261 1838.6393 1953.7265 107.5501 1.7825 -1083.7994 0.0000 0.0000 2738.4114 6216.1364 302.4652 3477.7250 6249.3256 300.9389 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: 4829.66, 0.00391666/step Wall: 4829.66, 0.00391666/step, 1.41761 hours remaining, 113.781250 MB of memory in use. ENERGY: 1197000 648.4308 1861.5308 1974.2621 116.0987 -0.7592 -1084.1683 0.0000 0.0000 2647.5415 6162.9364 292.4283 3515.3949 6194.6700 298.0631 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: 4830.45, 0.00391714/step Wall: 4830.45, 0.00391714/step, 1.41757 hours remaining, 113.781250 MB of memory in use. ENERGY: 1197200 638.3146 1888.3115 1972.0972 114.7028 1.2112 -1103.2465 0.0000 0.0000 2668.1627 6179.5533 294.7060 3511.3906 6209.6504 299.8365 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: 4831.23, 0.00391513/step Wall: 4831.23, 0.00391513/step, 1.41663 hours remaining, 113.781250 MB of memory in use. ENERGY: 1197400 614.9721 1832.3473 1961.3536 111.7264 0.8674 -1076.8728 0.0000 0.0000 2734.1274 6178.5214 301.9920 3444.3940 6215.4526 298.8823 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: 4832.01, 0.0039112/step Wall: 4832.01, 0.0039112/step, 1.41499 hours remaining, 113.781250 MB of memory in use. ENERGY: 1197600 671.6819 1860.5326 1948.0477 102.7701 0.4671 -1083.9780 0.0000 0.0000 2685.8971 6185.4184 296.6648 3499.5213 6215.5138 300.1333 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: 4832.8, 0.00391116/step Wall: 4832.8, 0.00391116/step, 1.41475 hours remaining, 113.781250 MB of memory in use. ENERGY: 1197800 684.3181 1870.8955 1955.4660 106.9841 0.7243 -1096.2137 0.0000 0.0000 2706.1752 6228.3494 298.9046 3522.1743 6261.6282 300.9595 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: 4833.58, 0.00391509/step Wall: 4833.58, 0.00391509/step, 1.41596 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1198000 636.3702 1809.2155 1946.8177 116.8996 0.7627 -1044.9174 0.0000 0.0000 2778.7577 6243.9060 306.9215 3465.1483 6278.1737 302.3293 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: 4834.36, 0.00391437/step Wall: 4834.36, 0.00391437/step, 1.41548 hours remaining, 113.781250 MB of memory in use. ENERGY: 1198200 673.5439 1877.6706 1930.8909 112.9606 0.8840 -1116.9386 0.0000 0.0000 2740.3932 6219.4046 302.6841 3479.0114 6253.6013 302.0635 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: 4835.14, 0.003914/step Wall: 4835.14, 0.003914/step, 1.41513 hours remaining, 113.781250 MB of memory in use. ENERGY: 1198400 681.7848 1850.1857 1947.4059 109.5236 2.8296 -1071.6269 0.0000 0.0000 2685.2222 6205.3249 296.5903 3520.1027 6237.5698 300.2521 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: 4835.93, 0.00390876/step Wall: 4835.93, 0.00390876/step, 1.41302 hours remaining, 113.781250 MB of memory in use. ENERGY: 1198600 640.6513 1874.9826 1948.9085 108.9392 1.3868 -1067.0053 0.0000 0.0000 2662.5463 6170.4094 294.0857 3507.8632 6202.0155 300.4588 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: 4836.71, 0.00391398/step Wall: 4836.71, 0.00391398/step, 1.41469 hours remaining, 113.781250 MB of memory in use. ENERGY: 1198800 649.2671 1854.8631 1943.7575 118.3896 0.5666 -1084.0510 0.0000 0.0000 2751.2514 6234.0442 303.8834 3482.7929 6267.4449 301.4528 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: 4837.49, 0.00391429/step Wall: 4837.49, 0.00391429/step, 1.41458 hours remaining, 113.781250 MB of memory in use. ENERGY: 1199000 694.3349 1804.6062 1913.7209 107.1858 1.9596 -1074.9503 0.0000 0.0000 2751.8238 6198.6809 303.9466 3446.8571 6231.2470 301.7570 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: 4838.28, 0.00392262/step Wall: 4838.28, 0.00392262/step, 1.41737 hours remaining, 113.781250 MB of memory in use. ENERGY: 1199200 685.1594 1835.9962 1958.2769 102.7150 2.0407 -1101.9474 0.0000 0.0000 2692.7924 6175.0332 297.4264 3482.2408 6206.6838 300.3303 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: 4839.06, 0.00391315/step Wall: 4839.06, 0.00391315/step, 1.41373 hours remaining, 113.781250 MB of memory in use. ENERGY: 1199400 665.2189 1853.5792 1929.0265 108.2335 1.1859 -1065.1127 0.0000 0.0000 2666.2574 6158.3886 294.4956 3492.1312 6189.2660 299.0123 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: 4839.84, 0.00390891/step Wall: 4839.84, 0.00390891/step, 1.41198 hours remaining, 113.781250 MB of memory in use. ENERGY: 1199600 665.7413 1857.6829 1933.5277 105.6636 0.5330 -1099.0852 0.0000 0.0000 2728.5128 6192.5761 301.3718 3464.0633 6226.8997 297.8953 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: 4840.62, 0.00391647/step Wall: 4840.62, 0.00391647/step, 1.4145 hours remaining, 113.781250 MB of memory in use. ENERGY: 1199800 702.2326 1838.9199 1936.4723 102.5975 0.4184 -1083.7644 0.0000 0.0000 2735.7716 6232.6478 302.1736 3496.8762 6266.7376 300.1350 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: 4841.41, 0.00391591/step Wall: 4841.41, 0.00391591/step, 1.41408 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1200000 652.2519 1877.6381 1967.5585 107.3831 1.7651 -1104.4317 0.0000 0.0000 2657.4502 6159.6154 293.5228 3502.1651 6194.8908 299.4913 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1200000 WRITING COORDINATES TO DCD FILE MD.1.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: 4842.85, 0.00719947/step Wall: 4842.85, 0.00719947/step, 2.59941 hours remaining, 113.781250 MB of memory in use. ENERGY: 1200200 650.2065 1778.3499 1961.6851 110.0002 0.5322 -1084.1356 0.0000 0.0000 2665.4850 6082.1232 294.4102 3416.6383 6113.5205 296.7687 LDB: ============= START OF LOAD BALANCING ============== 4845.55 LDB: ============== END OF LOAD BALANCING =============== 4845.55 LDB: =============== DONE WITH MIGRATION ================ 4845.55 LDB: ============= START OF LOAD BALANCING ============== 4845.94 LDB: ============== END OF LOAD BALANCING =============== 4845.94 LDB: =============== DONE WITH MIGRATION ================ 4845.94 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: 4843.63, 0.00392062/step Wall: 4843.63, 0.00392062/step, 1.41534 hours remaining, 113.781250 MB of memory in use. ENERGY: 1200400 637.9691 1825.5291 1926.7363 115.2369 1.9509 -1058.0653 0.0000 0.0000 2682.3105 6131.6675 296.2687 3449.3570 6164.1283 295.0636 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: 4844.41, 0.00391523/step Wall: 4844.41, 0.00391523/step, 1.41318 hours remaining, 113.781250 MB of memory in use. ENERGY: 1200600 641.9627 1845.9177 1954.4355 114.5084 1.5077 -1086.7271 0.0000 0.0000 2712.8566 6184.4616 299.6426 3471.6050 6218.9876 297.4637 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: 4845.2, 0.00391512/step Wall: 4845.2, 0.00391512/step, 1.41292 hours remaining, 113.781250 MB of memory in use. ENERGY: 1200800 671.7105 1848.6081 1914.0051 107.9059 2.0945 -1076.8971 0.0000 0.0000 2727.1909 6194.6179 301.2258 3467.4270 6227.7565 299.1065 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: 4845.98, 0.00391015/step Wall: 4845.98, 0.00391015/step, 1.41091 hours remaining, 113.781250 MB of memory in use. ENERGY: 1201000 674.9705 1817.1465 1951.7451 104.3617 3.6880 -1085.4631 0.0000 0.0000 2729.6502 6196.0989 301.4975 3466.4487 6230.8003 298.3079 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: 4846.76, 0.00391719/step Wall: 4846.76, 0.00391719/step, 1.41323 hours remaining, 113.781250 MB of memory in use. ENERGY: 1201200 672.9489 1816.7678 1956.5060 117.4000 2.0847 -1057.8184 0.0000 0.0000 2700.7340 6208.6230 298.3036 3507.8890 6239.1276 301.0184 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: 4847.55, 0.00391422/step Wall: 4847.55, 0.00391422/step, 1.41195 hours remaining, 113.781250 MB of memory in use. ENERGY: 1201400 663.9894 1824.0373 1968.5210 102.2265 1.1216 -1078.1602 0.0000 0.0000 2699.9099 6181.6453 298.2126 3481.7354 6215.4882 298.1826 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: 4848.33, 0.00391732/step Wall: 4848.33, 0.00391732/step, 1.41285 hours remaining, 113.781250 MB of memory in use. ENERGY: 1201600 655.7723 1864.5498 1938.5807 113.2856 1.6867 -1093.1934 0.0000 0.0000 2753.2938 6233.9755 304.1090 3480.6817 6265.2396 300.5163 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: 4849.11, 0.00391852/step Wall: 4849.11, 0.00391852/step, 1.41306 hours remaining, 113.781250 MB of memory in use. ENERGY: 1201800 670.6753 1827.4450 1970.0434 110.1648 2.5164 -1119.3097 0.0000 0.0000 2735.4339 6196.9692 302.1363 3461.5353 6227.1305 300.9661 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: 4849.89, 0.0039099/step Wall: 4849.89, 0.0039099/step, 1.40974 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1202000 652.0982 1887.4547 1926.9436 126.4741 1.6293 -1083.2108 0.0000 0.0000 2706.9488 6218.3378 298.9900 3511.3891 6251.1668 302.1345 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: 4850.68, 0.0039166/step Wall: 4850.68, 0.0039166/step, 1.41194 hours remaining, 113.781250 MB of memory in use. ENERGY: 1202200 626.5438 1847.2332 1951.3674 100.7258 1.6855 -1085.9222 0.0000 0.0000 2770.2743 6211.9078 305.9845 3441.6335 6246.3446 301.6189 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: 4851.46, 0.00391648/step Wall: 4851.46, 0.00391648/step, 1.41167 hours remaining, 113.781250 MB of memory in use. ENERGY: 1202400 664.3253 1852.7055 1930.8141 119.7901 2.1278 -1066.2183 0.0000 0.0000 2768.7518 6272.2963 305.8164 3503.5445 6304.9839 299.9707 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: 4852.24, 0.00391578/step Wall: 4852.24, 0.00391578/step, 1.4112 hours remaining, 113.781250 MB of memory in use. ENERGY: 1202600 671.1435 1842.8954 1943.9996 108.8852 2.1437 -1070.9783 0.0000 0.0000 2743.2212 6241.3102 302.9964 3498.0890 6274.5293 301.8514 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: 4853.03, 0.00391343/step Wall: 4853.03, 0.00391343/step, 1.41014 hours remaining, 113.781250 MB of memory in use. ENERGY: 1202800 664.4441 1812.2647 1947.6641 114.8601 1.5806 -1060.7634 0.0000 0.0000 2729.5561 6209.6064 301.4871 3480.0503 6242.5745 301.1751 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: 4853.81, 0.00391873/step Wall: 4853.81, 0.00391873/step, 1.41183 hours remaining, 113.781250 MB of memory in use. ENERGY: 1203000 681.2342 1859.1096 1940.1198 98.1243 1.6363 -1099.5275 0.0000 0.0000 2718.9759 6199.6725 300.3185 3480.6966 6233.4494 298.7443 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: 4854.59, 0.00392015/step Wall: 4854.59, 0.00392015/step, 1.41213 hours remaining, 113.781250 MB of memory in use. ENERGY: 1203200 665.8925 1853.1793 1962.1404 123.3325 2.2737 -1095.4479 0.0000 0.0000 2719.0567 6230.4272 300.3274 3511.3705 6262.2935 300.7758 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: 4855.38, 0.00392053/step Wall: 4855.38, 0.00392053/step, 1.41205 hours remaining, 113.781250 MB of memory in use. ENERGY: 1203400 656.8191 1857.3172 1921.3778 121.3653 2.5107 -1119.9250 0.0000 0.0000 2733.0865 6172.5516 301.8770 3439.4651 6205.1306 301.0127 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: 4856.16, 0.00391883/step Wall: 4856.16, 0.00391883/step, 1.41121 hours remaining, 113.781250 MB of memory in use. ENERGY: 1203600 666.9778 1798.8599 1959.8790 134.9901 2.3986 -1110.0279 0.0000 0.0000 2712.7501 6165.8275 299.6308 3453.0774 6201.1484 298.0249 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: 4856.95, 0.00391327/step Wall: 4856.95, 0.00391327/step, 1.40899 hours remaining, 113.781250 MB of memory in use. ENERGY: 1203800 666.1869 1826.8878 1971.8304 116.2034 1.6389 -1100.3763 0.0000 0.0000 2738.7463 6221.1172 302.5022 3482.3710 6255.5911 298.2920 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: 4857.73, 0.0039194/step Wall: 4857.73, 0.0039194/step, 1.41098 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1204000 680.5134 1884.5784 1959.6334 102.7604 1.9093 -1108.9766 0.0000 0.0000 2691.3867 6211.8051 297.2712 3520.4183 6244.6039 300.1575 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: 4858.51, 0.00392098/step Wall: 4858.51, 0.00392098/step, 1.41133 hours remaining, 113.781250 MB of memory in use. ENERGY: 1204200 638.0384 1900.1973 1982.4436 121.2156 3.8394 -1122.2432 0.0000 0.0000 2762.3609 6285.8520 305.1105 3523.4911 6321.6790 303.0473 LDB: ============= START OF LOAD BALANCING ============== 4861.21 LDB: ============== END OF LOAD BALANCING =============== 4861.21 LDB: =============== DONE WITH MIGRATION ================ 4861.21 LDB: ============= START OF LOAD BALANCING ============== 4861.61 LDB: ============== END OF LOAD BALANCING =============== 4861.61 LDB: =============== DONE WITH MIGRATION ================ 4861.61 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: 4859.3, 0.00392296/step Wall: 4859.3, 0.00392296/step, 1.41183 hours remaining, 113.781250 MB of memory in use. ENERGY: 1204400 680.3602 1878.3626 1944.9852 112.7640 2.8356 -1095.1186 0.0000 0.0000 2753.7650 6277.9539 304.1610 3524.1890 6310.7517 304.6563 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: 4860.08, 0.00391792/step Wall: 4860.08, 0.00391792/step, 1.4098 hours remaining, 113.781250 MB of memory in use. ENERGY: 1204600 684.1729 1869.2991 1943.1960 105.8501 3.3278 -1044.9493 0.0000 0.0000 2702.1584 6263.0550 298.4609 3560.8967 6295.7248 303.3361 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: 4860.86, 0.00391326/step Wall: 4860.86, 0.00391326/step, 1.40791 hours remaining, 113.781250 MB of memory in use. ENERGY: 1204800 681.2012 1809.9784 1974.4886 112.3913 3.8785 -1120.3207 0.0000 0.0000 2736.6267 6198.2438 302.2680 3461.6171 6233.4033 299.8779 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: 4861.65, 0.00391657/step Wall: 4861.65, 0.00391657/step, 1.40888 hours remaining, 113.781250 MB of memory in use. ENERGY: 1205000 685.6640 1840.1831 1966.1232 111.1706 1.8096 -1102.7450 0.0000 0.0000 2710.9602 6213.1657 299.4331 3502.2055 6247.8537 298.9020 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: 4862.43, 0.00391739/step Wall: 4862.43, 0.00391739/step, 1.40895 hours remaining, 113.781250 MB of memory in use. ENERGY: 1205200 638.3763 1851.9576 1972.5972 110.6102 1.7259 -1109.7762 0.0000 0.0000 2742.2582 6207.7492 302.8901 3465.4911 6241.7555 299.8987 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: 4863.21, 0.00391586/step Wall: 4863.21, 0.00391586/step, 1.40819 hours remaining, 113.781250 MB of memory in use. ENERGY: 1205400 687.9309 1868.8223 1936.7701 109.5833 2.4010 -1081.4958 0.0000 0.0000 2706.0791 6230.0909 298.8940 3524.0118 6259.8384 301.0670 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: 4864, 0.00391112/step Wall: 4864, 0.00391112/step, 1.40627 hours remaining, 113.781250 MB of memory in use. ENERGY: 1205600 660.4101 1864.4084 1938.9582 104.2679 0.8874 -1041.1987 0.0000 0.0000 2714.7248 6242.4580 299.8489 3527.7332 6277.0789 300.8254 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: 4864.78, 0.00391817/step Wall: 4864.78, 0.00391817/step, 1.40858 hours remaining, 113.781250 MB of memory in use. ENERGY: 1205800 703.0911 1913.2045 1936.9197 116.9947 2.0584 -1118.3544 0.0000 0.0000 2666.9639 6220.8779 294.5736 3553.9140 6252.7751 303.2154 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: 4865.56, 0.00391834/step Wall: 4865.56, 0.00391834/step, 1.40843 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1206000 683.0656 1837.1290 1963.3586 106.4231 2.1495 -1074.8831 0.0000 0.0000 2719.7682 6237.0108 300.4060 3517.2426 6268.9262 302.7940 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: 4866.35, 0.00391875/step Wall: 4866.35, 0.00391875/step, 1.40836 hours remaining, 113.781250 MB of memory in use. ENERGY: 1206200 686.3508 1865.8240 1917.2661 101.6432 2.4741 -1073.3411 0.0000 0.0000 2740.1466 6240.3636 302.6568 3500.2170 6272.4644 300.9051 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: 4867.13, 0.00391641/step Wall: 4867.13, 0.00391641/step, 1.4073 hours remaining, 113.781250 MB of memory in use. ENERGY: 1206400 658.3383 1820.2829 1950.8777 107.4568 2.4910 -1030.7994 0.0000 0.0000 2689.0181 6197.6652 297.0095 3508.6471 6230.4437 300.0525 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: 4867.92, 0.00393326/step Wall: 4867.92, 0.00393326/step, 1.41313 hours remaining, 113.781250 MB of memory in use. ENERGY: 1206600 636.3751 1845.3865 1990.5485 116.8084 2.6515 -1073.2897 0.0000 0.0000 2698.5126 6216.9929 298.0582 3518.4803 6248.0454 298.3952 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: 4868.7, 0.00392026/step Wall: 4868.7, 0.00392026/step, 1.40825 hours remaining, 113.781250 MB of memory in use. ENERGY: 1206800 643.4695 1833.6380 1961.8824 118.0726 1.4128 -1109.6730 0.0000 0.0000 2729.6016 6178.4038 301.4921 3448.8022 6210.9324 299.5264 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: 4869.48, 0.00391599/step Wall: 4869.48, 0.00391599/step, 1.40649 hours remaining, 113.781250 MB of memory in use. ENERGY: 1207000 634.7190 1849.5056 1971.9105 114.3811 1.0895 -1081.0961 0.0000 0.0000 2730.5572 6221.0668 301.5976 3490.5096 6255.2264 300.9298 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: 4870.27, 0.00391621/step Wall: 4870.27, 0.00391621/step, 1.40635 hours remaining, 113.781250 MB of memory in use. ENERGY: 1207200 652.7888 1860.8587 1946.0393 114.6088 1.9597 -1061.7590 0.0000 0.0000 2767.5793 6282.0756 305.6868 3514.4963 6316.5465 303.4632 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: 4871.05, 0.00391138/step Wall: 4871.05, 0.00391138/step, 1.4044 hours remaining, 113.781250 MB of memory in use. ENERGY: 1207400 656.8198 1807.6731 1953.9510 112.8222 2.5867 -1047.6352 0.0000 0.0000 2769.7847 6256.0024 305.9304 3486.2176 6292.0616 304.3447 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: 4871.83, 0.00391744/step Wall: 4871.83, 0.00391744/step, 1.40636 hours remaining, 113.781250 MB of memory in use. ENERGY: 1207600 683.0114 1889.6874 1946.4891 96.9861 2.7058 -1118.4829 0.0000 0.0000 2775.0175 6275.4144 306.5084 3500.3969 6309.9329 302.8973 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: 4872.62, 0.00391891/step Wall: 4872.62, 0.00391891/step, 1.40667 hours remaining, 113.781250 MB of memory in use. ENERGY: 1207800 662.5034 1913.2677 1968.9327 116.2921 3.2091 -1094.9795 0.0000 0.0000 2739.7613 6308.9869 302.6143 3569.2256 6341.5187 304.9038 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: 4873.4, 0.00393728/step Wall: 4873.4, 0.00393728/step, 1.41305 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1208000 671.9053 1903.9947 1972.0323 123.8020 2.3980 -1096.4939 0.0000 0.0000 2735.9460 6313.5845 302.1929 3577.6385 6347.2976 305.2486 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: 4874.19, 0.00391835/step Wall: 4874.19, 0.00391835/step, 1.40603 hours remaining, 113.781250 MB of memory in use. ENERGY: 1208200 658.2600 1843.6638 1968.2022 125.4843 1.3735 -1085.6507 0.0000 0.0000 2793.2786 6304.6117 308.5254 3511.3331 6337.5706 304.6271 LDB: ============= START OF LOAD BALANCING ============== 4876.89 LDB: ============== END OF LOAD BALANCING =============== 4876.89 LDB: =============== DONE WITH MIGRATION ================ 4876.89 LDB: ============= START OF LOAD BALANCING ============== 4877.28 LDB: ============== END OF LOAD BALANCING =============== 4877.28 LDB: =============== DONE WITH MIGRATION ================ 4877.28 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: 4874.97, 0.00391894/step Wall: 4874.97, 0.00391894/step, 1.40603 hours remaining, 113.781250 MB of memory in use. ENERGY: 1208400 672.8044 1852.5844 1977.6955 120.4062 1.9806 -1091.1077 0.0000 0.0000 2754.4581 6288.8216 304.2376 3534.3635 6321.8589 304.9256 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: 4875.76, 0.00391741/step Wall: 4875.76, 0.00391741/step, 1.40526 hours remaining, 113.781250 MB of memory in use. ENERGY: 1208600 687.9974 1870.2126 1969.5258 109.0162 3.2117 -1053.1347 0.0000 0.0000 2755.9444 6342.7734 304.4017 3586.8290 6375.3691 306.6916 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: 4876.54, 0.00391678/step Wall: 4876.54, 0.00391678/step, 1.40482 hours remaining, 113.781250 MB of memory in use. ENERGY: 1208800 663.4603 1864.5377 1965.8303 128.8367 2.2214 -1062.7971 0.0000 0.0000 2768.8907 6330.9801 305.8317 3562.0894 6364.4542 308.1263 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: 4877.32, 0.00391514/step Wall: 4877.32, 0.00391514/step, 1.40401 hours remaining, 113.781250 MB of memory in use. ENERGY: 1209000 626.5745 1825.4236 1979.1748 115.0586 1.2238 -1041.5261 0.0000 0.0000 2807.5520 6313.4812 310.1019 3505.9291 6347.2350 304.1862 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: 4878.1, 0.0039142/step Wall: 4878.1, 0.0039142/step, 1.40346 hours remaining, 113.781250 MB of memory in use. ENERGY: 1209200 652.9593 1860.4148 1984.2965 108.6210 1.9254 -1085.1943 0.0000 0.0000 2775.8732 6298.8960 306.6029 3523.0228 6333.5993 304.8922 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: 4878.89, 0.00392366/step Wall: 4878.89, 0.00392366/step, 1.40663 hours remaining, 113.781250 MB of memory in use. ENERGY: 1209400 650.1462 1844.1581 1959.9269 113.2230 3.0079 -1047.2788 0.0000 0.0000 2808.6352 6331.8185 310.2216 3523.1833 6364.8361 304.6410 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: 4879.67, 0.0039156/step Wall: 4879.67, 0.0039156/step, 1.40352 hours remaining, 113.781250 MB of memory in use. ENERGY: 1209600 665.6793 1914.7943 1971.8366 108.1456 1.1254 -1112.8215 0.0000 0.0000 2730.8387 6279.5984 301.6287 3548.7597 6311.9513 305.5728 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: 4880.46, 0.00391554/step Wall: 4880.46, 0.00391554/step, 1.40329 hours remaining, 113.781250 MB of memory in use. ENERGY: 1209800 688.8384 1863.1345 1977.1392 107.1746 2.0041 -1093.1261 0.0000 0.0000 2772.2081 6317.3727 306.1981 3545.1646 6348.9199 304.4797 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: 4881.24, 0.00391834/step Wall: 4881.24, 0.00391834/step, 1.40407 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1210000 663.2022 1852.5007 1945.7682 105.4813 1.9719 -1092.6947 0.0000 0.0000 2744.1707 6220.4003 303.1013 3476.2295 6255.2556 301.5965 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1210000 WRITING COORDINATES TO DCD FILE MD.1.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: 4882.09, 0.00424785/step Wall: 4882.09, 0.00424785/step, 1.52191 hours remaining, 113.781250 MB of memory in use. ENERGY: 1210200 686.2329 1812.7991 1992.0067 107.4591 1.8615 -1097.4390 0.0000 0.0000 2741.1810 6244.1013 302.7711 3502.9203 6275.6136 303.1677 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: 4882.87, 0.00391708/step Wall: 4882.87, 0.00391708/step, 1.40319 hours remaining, 113.781250 MB of memory in use. ENERGY: 1210400 629.2096 1867.0382 1992.0582 102.5731 3.7577 -1093.0196 0.0000 0.0000 2699.2133 6200.8305 298.1356 3501.6171 6236.6874 299.4930 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: 4883.66, 0.00391532/step Wall: 4883.66, 0.00391532/step, 1.40234 hours remaining, 113.781250 MB of memory in use. ENERGY: 1210600 642.0266 1829.5057 1966.7595 113.1910 3.1137 -1112.6264 0.0000 0.0000 2765.8776 6207.8476 305.4989 3441.9701 6240.2937 300.3364 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: 4884.44, 0.00391566/step Wall: 4884.44, 0.00391566/step, 1.40224 hours remaining, 113.781250 MB of memory in use. ENERGY: 1210800 662.6888 1871.3547 1955.2146 107.6925 3.0501 -1095.9940 0.0000 0.0000 2704.5431 6208.5498 298.7243 3504.0067 6241.8158 299.0568 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: 4885.22, 0.00391616/step Wall: 4885.22, 0.00391616/step, 1.4022 hours remaining, 113.781250 MB of memory in use. ENERGY: 1211000 645.0829 1781.7627 1944.5194 113.5511 3.5103 -1045.1843 0.0000 0.0000 2731.5419 6174.7841 301.7064 3443.2423 6209.6655 297.2127 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: 4886, 0.00390849/step Wall: 4886, 0.00390848/step, 1.39924 hours remaining, 113.781250 MB of memory in use. ENERGY: 1211200 660.6379 1887.2522 1950.5515 121.2111 4.4888 -1067.1457 0.0000 0.0000 2634.9132 6191.9090 291.0335 3556.9957 6221.7611 297.5901 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: 4886.79, 0.00391528/step Wall: 4886.79, 0.00391529/step, 1.40146 hours remaining, 113.781250 MB of memory in use. ENERGY: 1211400 631.2005 1806.9041 1975.5102 113.2523 1.4848 -1052.7746 0.0000 0.0000 2709.7959 6185.3732 299.3045 3475.5773 6217.5925 296.6190 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: 4887.57, 0.00391676/step Wall: 4887.57, 0.00391676/step, 1.40176 hours remaining, 113.781250 MB of memory in use. ENERGY: 1211600 659.6565 1829.7177 1955.4571 99.6123 3.2844 -1083.4627 0.0000 0.0000 2692.6738 6156.9390 297.4133 3464.2653 6191.0121 296.7666 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: 4888.35, 0.00391842/step Wall: 4888.35, 0.00391842/step, 1.40214 hours remaining, 113.781250 MB of memory in use. ENERGY: 1211800 662.4178 1797.1141 1992.8427 112.6641 2.1721 -1108.2139 0.0000 0.0000 2681.8118 6140.8087 296.2136 3458.9969 6171.2060 297.2816 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: 4889.14, 0.00391463/step Wall: 4889.14, 0.00391462/step, 1.40056 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1212000 644.1754 1875.6377 1968.3274 110.3368 0.7784 -1120.2320 0.0000 0.0000 2686.8126 6165.8363 296.7659 3479.0237 6198.0218 297.3237 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: 4889.92, 0.0039114/step Wall: 4889.92, 0.00391141/step, 1.3992 hours remaining, 113.781250 MB of memory in use. ENERGY: 1212200 629.0594 1864.1939 1967.3715 114.8069 1.6890 -1088.4726 0.0000 0.0000 2675.5534 6164.2016 295.5223 3488.6482 6194.4558 298.6644 LDB: ============= START OF LOAD BALANCING ============== 4892.62 LDB: ============== END OF LOAD BALANCING =============== 4892.62 LDB: =============== DONE WITH MIGRATION ================ 4892.62 LDB: ============= START OF LOAD BALANCING ============== 4893.01 LDB: ============== END OF LOAD BALANCING =============== 4893.01 LDB: =============== DONE WITH MIGRATION ================ 4893.01 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: 4890.7, 0.00392398/step Wall: 4890.7, 0.00392398/step, 1.40348 hours remaining, 113.781250 MB of memory in use. ENERGY: 1212400 675.7857 1806.5662 1967.3967 102.2851 2.3199 -1095.1854 0.0000 0.0000 2674.7251 6133.8933 295.4308 3459.1682 6166.5942 296.6703 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: 4891.49, 0.00391896/step Wall: 4891.49, 0.00391897/step, 1.40147 hours remaining, 113.781250 MB of memory in use. ENERGY: 1212600 656.6801 1883.6352 1971.6207 112.1063 3.0575 -1133.5135 0.0000 0.0000 2691.7940 6185.3804 297.3162 3493.5864 6217.4484 299.3022 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: 4892.27, 0.00391605/step Wall: 4892.27, 0.00391605/step, 1.40021 hours remaining, 113.781250 MB of memory in use. ENERGY: 1212800 627.7768 1867.1163 1965.3598 108.0941 1.9736 -1093.2043 0.0000 0.0000 2716.6955 6193.8118 300.0666 3477.1162 6225.4334 299.0662 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: 4893.05, 0.00390888/step Wall: 4893.05, 0.00390888/step, 1.39742 hours remaining, 113.781250 MB of memory in use. ENERGY: 1213000 659.1616 1874.2285 1939.1674 107.3293 3.0121 -1121.4944 0.0000 0.0000 2710.3724 6171.7768 299.3682 3461.4044 6203.1604 298.9228 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: 4893.84, 0.00391685/step Wall: 4893.84, 0.00391685/step, 1.40006 hours remaining, 113.781250 MB of memory in use. ENERGY: 1213200 666.8613 1872.9179 2007.0367 125.0198 3.2234 -1105.2193 0.0000 0.0000 2692.1446 6261.9846 297.3549 3569.8400 6295.3429 300.5080 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: 4894.62, 0.00391823/step Wall: 4894.62, 0.00391823/step, 1.40033 hours remaining, 113.781250 MB of memory in use. ENERGY: 1213400 633.0632 1791.8155 1989.6290 101.0905 1.8252 -1097.3688 0.0000 0.0000 2767.0927 6187.1474 305.6331 3420.0546 6224.0113 300.7977 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: 4895.4, 0.00391725/step Wall: 4895.4, 0.00391725/step, 1.39977 hours remaining, 113.781250 MB of memory in use. ENERGY: 1213600 635.5944 1856.2743 1973.5007 118.8865 1.2056 -1101.5986 0.0000 0.0000 2693.0844 6176.9473 297.4587 3483.8629 6209.8383 298.1904 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: 4896.19, 0.00391668/step Wall: 4896.19, 0.00391668/step, 1.39934 hours remaining, 113.781250 MB of memory in use. ENERGY: 1213800 650.2920 1839.0835 1965.8997 105.7764 1.9909 -1077.3814 0.0000 0.0000 2681.3067 6166.9679 296.1578 3485.6612 6197.7790 298.4697 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: 4896.97, 0.00391104/step Wall: 4896.97, 0.00391104/step, 1.39711 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1214000 663.9848 1834.0943 1955.9683 108.2389 3.8002 -1083.9124 0.0000 0.0000 2668.1182 6150.2923 294.7011 3482.1741 6183.3891 298.4793 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: 4897.75, 0.00391727/step Wall: 4897.75, 0.00391727/step, 1.39912 hours remaining, 113.781250 MB of memory in use. ENERGY: 1214200 639.5269 1795.2851 1955.5823 89.9432 2.4734 -1110.1028 0.0000 0.0000 2770.4668 6143.1749 306.0058 3372.7081 6179.1040 297.2537 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: 4898.54, 0.00391925/step Wall: 4898.54, 0.00391925/step, 1.39961 hours remaining, 113.781250 MB of memory in use. ENERGY: 1214400 660.9946 1817.9924 1942.0354 110.4130 1.9159 -1074.8906 0.0000 0.0000 2643.7770 6102.2378 292.0125 3458.4608 6132.0464 295.8157 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: 4899.32, 0.00391669/step Wall: 4899.32, 0.00391669/step, 1.39848 hours remaining, 113.781250 MB of memory in use. ENERGY: 1214600 687.9259 1857.6366 1939.5223 110.2559 3.4973 -1071.1037 0.0000 0.0000 2605.8315 6133.5659 287.8214 3527.7343 6164.0350 296.2731 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: 4900.1, 0.00391024/step Wall: 4900.1, 0.00391024/step, 1.39596 hours remaining, 113.781250 MB of memory in use. ENERGY: 1214800 629.2054 1785.7412 1971.5345 101.2520 3.8546 -1033.6907 0.0000 0.0000 2687.6601 6145.5571 296.8595 3457.8970 6179.3325 295.4140 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: 4900.89, 0.00391937/step Wall: 4900.89, 0.00391937/step, 1.399 hours remaining, 113.781250 MB of memory in use. ENERGY: 1215000 632.3774 1808.0814 1970.5789 113.3314 2.4470 -1070.1242 0.0000 0.0000 2704.6416 6161.3336 298.7352 3456.6920 6195.6084 296.8799 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: 4901.67, 0.00391901/step Wall: 4901.67, 0.00391901/step, 1.39865 hours remaining, 113.781250 MB of memory in use. ENERGY: 1215200 642.6625 1837.6928 1969.0816 111.7549 2.7711 -1089.8403 0.0000 0.0000 2716.9627 6191.0853 300.0961 3474.1226 6223.7456 297.8945 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: 4902.45, 0.00391983/step Wall: 4902.45, 0.00391983/step, 1.39873 hours remaining, 113.781250 MB of memory in use. ENERGY: 1215400 671.4867 1831.6558 1956.6696 113.9339 1.9906 -1106.1035 0.0000 0.0000 2773.6991 6243.3324 306.3628 3469.6332 6276.7010 300.9998 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: 4903.24, 0.00391697/step Wall: 4903.24, 0.00391697/step, 1.39749 hours remaining, 113.781250 MB of memory in use. ENERGY: 1215600 704.8164 1806.2818 1959.9365 124.8293 1.3633 -1047.5708 0.0000 0.0000 2712.3394 6261.9960 299.5854 3549.6566 6296.8860 301.6787 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: 4904.02, 0.00391023/step Wall: 4904.02, 0.00391023/step, 1.39487 hours remaining, 113.781250 MB of memory in use. ENERGY: 1215800 647.8893 1858.0594 1967.3222 111.0068 2.5245 -1108.4592 0.0000 0.0000 2791.4778 6269.8208 308.3265 3478.3430 6303.5169 302.9841 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: 4904.8, 0.00391725/step Wall: 4904.8, 0.00391725/step, 1.39715 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1216000 717.1106 1855.7617 1974.1694 107.4821 1.0164 -1103.5844 0.0000 0.0000 2768.6033 6320.5591 305.8000 3551.9558 6353.8175 306.0265 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: 4905.59, 0.00391701/step Wall: 4905.59, 0.00391701/step, 1.39685 hours remaining, 113.781250 MB of memory in use. ENERGY: 1216200 629.3871 1887.5989 1977.4234 116.7898 2.6262 -1062.2261 0.0000 0.0000 2785.4691 6337.0684 307.6628 3551.5993 6370.7226 306.2833 LDB: ============= START OF LOAD BALANCING ============== 4908.29 LDB: ============== END OF LOAD BALANCING =============== 4908.29 LDB: =============== DONE WITH MIGRATION ================ 4908.29 LDB: ============= START OF LOAD BALANCING ============== 4908.68 LDB: ============== END OF LOAD BALANCING =============== 4908.68 LDB: =============== DONE WITH MIGRATION ================ 4908.68 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: 4906.37, 0.00392093/step Wall: 4906.37, 0.00392093/step, 1.39803 hours remaining, 113.781250 MB of memory in use. ENERGY: 1216400 654.2638 1848.2818 1965.1267 123.8879 3.0100 -1060.5040 0.0000 0.0000 2770.0936 6304.1599 305.9646 3534.0663 6339.0815 306.4139 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: 4907.15, 0.00390773/step Wall: 4907.15, 0.00390773/step, 1.3931 hours remaining, 113.781250 MB of memory in use. ENERGY: 1216600 669.4397 1908.5012 1971.9520 108.7365 3.1032 -1113.8243 0.0000 0.0000 2790.3344 6338.2428 308.2002 3547.9084 6375.0496 307.4683 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: 4907.93, 0.00391527/step Wall: 4907.93, 0.00391527/step, 1.39558 hours remaining, 113.781250 MB of memory in use. ENERGY: 1216800 688.0597 1888.1606 1961.2052 99.1132 3.5790 -1084.9260 0.0000 0.0000 2760.3417 6315.5335 304.8874 3555.1917 6348.4959 307.5489 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: 4909.5, 0.00785039/step Wall: 4909.5, 0.00785039/step, 2.79779 hours remaining, 113.781250 MB of memory in use. ENERGY: 1217000 704.8815 1877.0513 1951.4641 109.1449 2.8451 -1150.2303 0.0000 0.0000 2765.1584 6260.3151 305.4194 3495.1567 6294.8934 303.4860 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: 4910.29, 0.00393893/step Wall: 4910.29, 0.00393893/step, 1.40357 hours remaining, 113.781250 MB of memory in use. ENERGY: 1217200 646.8107 1884.6538 1948.8960 118.2178 3.6685 -1093.8079 0.0000 0.0000 2769.7716 6278.2106 305.9290 3508.4389 6314.2038 304.6074 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: 4911.07, 0.00391054/step Wall: 4911.07, 0.00391054/step, 1.39324 hours remaining, 113.781250 MB of memory in use. ENERGY: 1217400 674.0416 1875.4099 1934.9388 121.0897 1.4565 -1068.4212 0.0000 0.0000 2747.8330 6286.3481 303.5058 3538.5151 6317.1844 305.2447 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: 4911.86, 0.00391861/step Wall: 4911.86, 0.00391861/step, 1.3959 hours remaining, 113.781250 MB of memory in use. ENERGY: 1217600 674.8539 1839.8461 1971.3789 103.1798 2.1136 -1084.1259 0.0000 0.0000 2820.5645 6327.8107 311.5392 3507.2463 6363.3632 307.0638 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: 4912.64, 0.00391865/step Wall: 4912.64, 0.00391865/step, 1.39569 hours remaining, 113.781250 MB of memory in use. ENERGY: 1217800 636.7899 1842.0876 1969.6608 108.0722 3.0534 -1074.4421 0.0000 0.0000 2760.5872 6245.8092 304.9146 3485.2220 6279.9994 306.2650 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: 4913.43, 0.00392286/step Wall: 4913.43, 0.00392286/step, 1.39698 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1218000 688.8101 1855.5794 1943.3076 108.6588 3.3922 -1111.9469 0.0000 0.0000 2740.6931 6228.4943 302.7172 3487.8012 6260.1770 301.4966 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: 4914.21, 0.00391546/step Wall: 4914.21, 0.00391546/step, 1.39412 hours remaining, 113.781250 MB of memory in use. ENERGY: 1218200 658.4344 1810.1821 1946.2977 107.2030 2.8000 -1045.8812 0.0000 0.0000 2735.0288 6214.0648 302.0915 3479.0361 6247.3902 302.0773 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: 4914.99, 0.00390988/step Wall: 4914.99, 0.00390988/step, 1.39192 hours remaining, 113.781250 MB of memory in use. ENERGY: 1218400 644.2435 1919.2787 1931.9872 115.3205 1.5894 -1086.4957 0.0000 0.0000 2661.2935 6187.2171 293.9473 3525.9236 6217.9165 299.5171 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: 4915.77, 0.00391633/step Wall: 4915.77, 0.00391633/step, 1.394 hours remaining, 113.781250 MB of memory in use. ENERGY: 1218600 647.9618 1890.4365 1948.7605 108.1409 1.8374 -1039.9536 0.0000 0.0000 2691.3705 6248.5539 297.2694 3557.1835 6280.2075 301.0234 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: 4916.56, 0.00391708/step Wall: 4916.56, 0.00391708/step, 1.39405 hours remaining, 113.781250 MB of memory in use. ENERGY: 1218800 651.5954 1846.5788 1964.8260 111.1685 1.7920 -1087.6704 0.0000 0.0000 2771.9612 6260.2514 306.1708 3488.2902 6292.4937 302.0237 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: 4917.34, 0.00391558/step Wall: 4917.34, 0.00391558/step, 1.39329 hours remaining, 113.781250 MB of memory in use. ENERGY: 1219000 631.2339 1816.4600 1960.0043 114.0996 0.9653 -1065.9402 0.0000 0.0000 2716.0672 6172.8902 299.9972 3456.8230 6203.5774 302.0798 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: 4918.12, 0.00390926/step Wall: 4918.12, 0.00390926/step, 1.39083 hours remaining, 113.781250 MB of memory in use. ENERGY: 1219200 644.4552 1834.6838 1947.3373 117.4424 1.3044 -1081.1977 0.0000 0.0000 2737.8174 6201.8427 302.3996 3464.0253 6235.6802 298.3384 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: 4918.91, 0.00392397/step Wall: 4918.91, 0.00392397/step, 1.39584 hours remaining, 113.781250 MB of memory in use. ENERGY: 1219400 648.3696 1822.3391 1947.7425 107.7376 1.5029 -1078.1258 0.0000 0.0000 2713.7608 6163.3267 299.7424 3449.5659 6195.7609 299.6420 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: 4919.69, 0.00391446/step Wall: 4919.69, 0.00391446/step, 1.39224 hours remaining, 113.781250 MB of memory in use. ENERGY: 1219600 640.9780 1842.8559 1951.9797 123.6533 2.8873 -1068.6415 0.0000 0.0000 2699.8800 6193.5928 298.2093 3493.7128 6227.6084 297.9174 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: 4920.47, 0.00391628/step Wall: 4920.47, 0.00391628/step, 1.39267 hours remaining, 113.781250 MB of memory in use. ENERGY: 1219800 636.7972 1864.9573 1950.6675 116.9999 2.9967 -1090.0063 0.0000 0.0000 2712.5907 6195.0030 299.6132 3482.4123 6225.1922 300.5704 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: 4921.26, 0.00391456/step Wall: 4921.26, 0.00391456/step, 1.39185 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1220000 635.6624 1815.4231 1934.6989 106.5138 1.9990 -1082.1844 0.0000 0.0000 2713.8748 6125.9876 299.7550 3412.1128 6161.3282 297.3950 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1220000 WRITING COORDINATES TO DCD FILE MD.1.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: 4932.86, 0.0580181/step Wall: 4932.86, 0.0580181/step, 20.6254 hours remaining, 113.781250 MB of memory in use. ENERGY: 1220200 642.4455 1847.5087 1935.9932 103.5038 1.5749 -1083.7184 0.0000 0.0000 2658.1004 6105.4081 293.5946 3447.3077 6138.5246 294.7866 LDB: ============= START OF LOAD BALANCING ============== 4935.56 LDB: ============== END OF LOAD BALANCING =============== 4935.56 LDB: =============== DONE WITH MIGRATION ================ 4935.56 LDB: ============= START OF LOAD BALANCING ============== 4935.95 LDB: ============== END OF LOAD BALANCING =============== 4935.95 LDB: =============== DONE WITH MIGRATION ================ 4935.95 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: 4933.65, 0.00392556/step Wall: 4933.65, 0.00392555/step, 1.39532 hours remaining, 113.781250 MB of memory in use. ENERGY: 1220400 641.8391 1869.8981 1935.2820 98.0705 2.6945 -1064.4409 0.0000 0.0000 2658.3134 6141.6566 293.6181 3483.3432 6174.7170 295.9513 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: 4934.43, 0.00391656/step Wall: 4934.43, 0.00391657/step, 1.3919 hours remaining, 113.781250 MB of memory in use. ENERGY: 1220600 647.7505 1860.4463 1950.2099 109.2525 1.8814 -1086.2740 0.0000 0.0000 2685.7923 6169.0588 296.6532 3483.2666 6200.7627 296.1606 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: 4935.21, 0.00391163/step Wall: 4935.21, 0.00391163/step, 1.38993 hours remaining, 113.781250 MB of memory in use. ENERGY: 1220800 639.3411 1859.5475 1953.0056 111.1448 0.8465 -1096.2558 0.0000 0.0000 2728.1513 6195.7810 301.3319 3467.6297 6227.1943 295.8150 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: 4935.99, 0.0039156/step Wall: 4935.99, 0.0039156/step, 1.39113 hours remaining, 113.781250 MB of memory in use. ENERGY: 1221000 631.7572 1889.5072 1970.0153 105.1258 -0.1250 -1067.9327 0.0000 0.0000 2651.6681 6180.0159 292.8841 3528.3478 6214.4679 296.2859 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: 4936.78, 0.00391743/step Wall: 4936.78, 0.00391743/step, 1.39156 hours remaining, 113.781250 MB of memory in use. ENERGY: 1221200 611.6664 1880.7118 1944.4278 100.6505 0.7211 -1094.6801 0.0000 0.0000 2708.9953 6152.4928 299.2161 3443.4975 6188.0167 297.4615 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: 4937.56, 0.00391706/step Wall: 4937.56, 0.00391706/step, 1.39121 hours remaining, 113.781250 MB of memory in use. ENERGY: 1221400 647.1727 1870.5640 1921.3462 110.9238 0.9209 -1076.8941 0.0000 0.0000 2705.5878 6179.6213 298.8397 3474.0335 6210.7120 298.1334 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: 4938.34, 0.00391795/step Wall: 4938.34, 0.00391795/step, 1.39131 hours remaining, 113.781250 MB of memory in use. ENERGY: 1221600 657.6625 1868.1995 1972.4842 107.8966 2.1290 -1070.7042 0.0000 0.0000 2676.7934 6214.4610 295.6593 3537.6677 6246.3360 300.2921 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: 4939.13, 0.00391093/step Wall: 4939.13, 0.00391093/step, 1.3886 hours remaining, 113.781250 MB of memory in use. ENERGY: 1221800 678.0685 1891.4301 1945.1777 113.8113 0.9943 -1093.1311 0.0000 0.0000 2733.8759 6270.2268 301.9642 3536.3509 6301.1670 302.1815 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: 4939.91, 0.00391762/step Wall: 4939.91, 0.00391762/step, 1.39076 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1222000 643.9762 1834.6572 1960.7286 111.3574 1.7039 -1088.6023 0.0000 0.0000 2731.6089 6195.4299 301.7138 3463.8210 6231.4728 300.4556 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: 4940.69, 0.00391599/step Wall: 4940.69, 0.00391599/step, 1.38996 hours remaining, 113.781250 MB of memory in use. ENERGY: 1222200 638.7006 1867.3979 1965.8393 107.3666 0.6071 -1093.9524 0.0000 0.0000 2643.6073 6129.5664 291.9938 3485.9591 6162.3886 299.1599 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: 4941.48, 0.00391567/step Wall: 4941.48, 0.00391567/step, 1.38963 hours remaining, 113.781250 MB of memory in use. ENERGY: 1222400 668.9766 1838.7094 1981.9653 109.0668 0.6825 -1109.3673 0.0000 0.0000 2680.1991 6170.2323 296.0355 3490.0333 6203.2503 296.5532 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: 4942.26, 0.00391539/step Wall: 4942.26, 0.00391539/step, 1.38931 hours remaining, 113.781250 MB of memory in use. ENERGY: 1222600 647.5111 1852.8109 1956.1562 108.8030 1.1408 -1092.5196 0.0000 0.0000 2721.5074 6195.4098 300.5981 3473.9024 6228.3508 299.3044 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: 4943.04, 0.00390952/step Wall: 4943.04, 0.00390952/step, 1.38701 hours remaining, 113.781250 MB of memory in use. ENERGY: 1222800 663.4544 1864.3137 1969.9884 93.9108 1.3872 -1071.1749 0.0000 0.0000 2724.9635 6246.8430 300.9798 3521.8795 6279.7380 301.3771 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: 4943.82, 0.00391446/step Wall: 4943.82, 0.00391446/step, 1.38855 hours remaining, 113.781250 MB of memory in use. ENERGY: 1223000 639.6826 1894.2251 1980.8999 107.0523 1.9216 -1110.1166 0.0000 0.0000 2716.3019 6229.9668 300.0231 3513.6650 6262.5282 301.6987 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: 4944.61, 0.00391679/step Wall: 4944.61, 0.00391679/step, 1.38916 hours remaining, 113.781250 MB of memory in use. ENERGY: 1223200 630.8724 1873.5787 1980.5983 115.4153 0.9811 -1091.6381 0.0000 0.0000 2722.3245 6232.1323 300.6883 3509.8078 6265.4401 301.8185 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: 4945.39, 0.00391471/step Wall: 4945.39, 0.00391471/step, 1.3882 hours remaining, 113.781250 MB of memory in use. ENERGY: 1223400 671.0180 1863.2737 1968.8836 99.2459 1.7198 -1075.8046 0.0000 0.0000 2696.0257 6224.3621 297.7836 3528.3364 6257.9459 301.1278 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: 4946.17, 0.00390821/step Wall: 4946.17, 0.00390821/step, 1.38568 hours remaining, 113.781250 MB of memory in use. ENERGY: 1223600 652.8150 1839.1141 1936.6891 117.8878 1.5561 -1066.4722 0.0000 0.0000 2736.0774 6217.6673 302.2074 3481.5899 6250.7843 300.6136 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: 4946.96, 0.00391524/step Wall: 4946.96, 0.00391524/step, 1.38795 hours remaining, 113.781250 MB of memory in use. ENERGY: 1223800 647.9984 1881.2006 1955.0238 119.1336 0.2705 -1084.7126 0.0000 0.0000 2713.9835 6232.8979 299.7670 3518.9144 6267.2575 299.5402 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: 4947.74, 0.00391521/step Wall: 4947.74, 0.00391521/step, 1.38772 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1224000 657.8168 1838.7588 1948.6781 108.5254 1.6139 -1085.1710 0.0000 0.0000 2711.7569 6181.9790 299.5211 3470.2221 6216.7784 299.3819 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: 4948.52, 0.0039174/step Wall: 4948.52, 0.0039174/step, 1.38828 hours remaining, 113.781250 MB of memory in use. ENERGY: 1224200 680.1279 1869.9891 1940.6417 98.1460 0.9049 -1072.2151 0.0000 0.0000 2708.8032 6226.3976 299.1949 3517.5944 6259.7682 299.2581 LDB: ============= START OF LOAD BALANCING ============== 4951.22 LDB: ============== END OF LOAD BALANCING =============== 4951.22 LDB: =============== DONE WITH MIGRATION ================ 4951.22 LDB: ============= START OF LOAD BALANCING ============== 4951.61 LDB: ============== END OF LOAD BALANCING =============== 4951.61 LDB: =============== DONE WITH MIGRATION ================ 4951.61 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: 4949.31, 0.00391906/step Wall: 4949.31, 0.00391906/step, 1.38865 hours remaining, 113.781250 MB of memory in use. ENERGY: 1224400 643.6991 1873.9712 1918.6162 100.5130 1.5996 -1062.1380 0.0000 0.0000 2728.3612 6204.6222 301.3551 3476.2610 6238.4636 299.2126 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: 4950.09, 0.00390931/step Wall: 4950.09, 0.00390931/step, 1.38498 hours remaining, 113.781250 MB of memory in use. ENERGY: 1224600 655.2375 1808.7706 1982.5884 110.3849 0.1170 -1098.3993 0.0000 0.0000 2730.7771 6189.4762 301.6219 3458.6991 6225.7491 300.3383 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: 4950.87, 0.00391495/step Wall: 4950.87, 0.00391495/step, 1.38676 hours remaining, 113.781250 MB of memory in use. ENERGY: 1224800 630.9826 1881.0281 1976.4475 101.4704 1.5723 -1076.6150 0.0000 0.0000 2655.5089 6170.3947 293.3084 3514.8858 6202.0358 296.6487 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: 4951.65, 0.00391449/step Wall: 4951.65, 0.00391449/step, 1.38638 hours remaining, 113.781250 MB of memory in use. ENERGY: 1225000 689.4352 1853.5946 1934.6074 107.2549 1.2458 -1107.9347 0.0000 0.0000 2692.4032 6170.6065 297.3834 3478.2032 6204.6683 297.0408 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: 4952.44, 0.00391455/step Wall: 4952.44, 0.00391455/step, 1.38618 hours remaining, 113.781250 MB of memory in use. ENERGY: 1225200 644.3814 1844.6643 1961.6282 113.7312 1.1925 -1074.8979 0.0000 0.0000 2651.3925 6142.0923 292.8537 3490.6998 6172.8623 297.3361 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: 4953.22, 0.00390822/step Wall: 4953.22, 0.00390822/step, 1.38373 hours remaining, 113.781250 MB of memory in use. ENERGY: 1225400 645.9694 1883.3802 1935.0944 104.3089 2.3456 -1075.0394 0.0000 0.0000 2674.6091 6170.6682 295.4180 3496.0591 6203.1517 297.3780 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: 4954, 0.0039146/step Wall: 4954, 0.00391459/step, 1.38576 hours remaining, 113.781250 MB of memory in use. ENERGY: 1225600 612.1097 1836.7619 1978.1199 101.7222 3.1880 -1076.1764 0.0000 0.0000 2749.9457 6205.6709 303.7392 3455.7253 6241.8520 298.5618 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: 4954.78, 0.00391375/step Wall: 4954.78, 0.00391376/step, 1.38525 hours remaining, 113.781250 MB of memory in use. ENERGY: 1225800 655.0988 1834.3566 1956.2795 107.9160 1.4916 -1097.8611 0.0000 0.0000 2730.4235 6187.7050 301.5829 3457.2814 6221.7714 298.9878 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: 4955.57, 0.00391295/step Wall: 4955.57, 0.00391295/step, 1.38475 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1226000 714.6225 1817.6095 1956.9672 118.7964 0.4345 -1113.5208 0.0000 0.0000 2728.6636 6223.5729 301.3885 3494.9093 6256.5747 300.4192 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: 4956.35, 0.00391383/step Wall: 4956.35, 0.00391383/step, 1.38484 hours remaining, 113.781250 MB of memory in use. ENERGY: 1226200 672.2834 1811.0190 1965.9667 101.8169 0.4333 -1117.1987 0.0000 0.0000 2754.1184 6188.4391 304.2000 3434.3207 6219.7870 300.4724 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: 4957.13, 0.00390718/step Wall: 4957.13, 0.00390717/step, 1.38227 hours remaining, 113.781250 MB of memory in use. ENERGY: 1226400 622.3724 1789.2833 1952.5084 111.9046 0.7239 -1047.0485 0.0000 0.0000 2745.6415 6175.3856 303.2638 3429.7441 6207.7546 298.7272 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: 4957.91, 0.00391294/step Wall: 4957.91, 0.00391294/step, 1.3841 hours remaining, 113.781250 MB of memory in use. ENERGY: 1226600 641.1497 1822.5238 1956.3657 105.2810 1.6763 -1064.7038 0.0000 0.0000 2711.0158 6173.3085 299.4392 3462.2926 6206.6763 297.5322 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: 4958.7, 0.0039248/step Wall: 4958.7, 0.00392481/step, 1.38807 hours remaining, 113.781250 MB of memory in use. ENERGY: 1226800 679.5670 1842.5441 1947.5917 108.2408 2.6176 -1098.8844 0.0000 0.0000 2671.1535 6152.8304 295.0363 3481.6768 6186.2109 298.0100 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: 4959.48, 0.00391444/step Wall: 4959.48, 0.00391444/step, 1.38419 hours remaining, 113.781250 MB of memory in use. ENERGY: 1227000 632.6538 1839.6248 1973.1926 114.6816 3.0986 -1077.5459 0.0000 0.0000 2636.0056 6121.7111 291.1542 3485.7055 6154.6315 294.5906 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: 4960.26, 0.00390993/step Wall: 4960.26, 0.00390993/step, 1.38238 hours remaining, 113.781250 MB of memory in use. ENERGY: 1227200 648.4066 1872.5432 1959.3060 110.7096 1.5695 -1089.3903 0.0000 0.0000 2593.8140 6096.9585 286.4940 3503.1445 6125.4390 293.5515 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: 4961.05, 0.00391202/step Wall: 4961.05, 0.00391202/step, 1.3829 hours remaining, 113.781250 MB of memory in use. ENERGY: 1227400 667.6234 1821.3826 1959.8351 108.8192 2.6947 -1102.0150 0.0000 0.0000 2635.2010 6093.5409 291.0653 3458.3400 6124.6073 293.6801 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: 4961.83, 0.00391455/step Wall: 4961.83, 0.00391455/step, 1.38358 hours remaining, 113.781250 MB of memory in use. ENERGY: 1227600 658.3343 1874.0069 1979.8592 100.4490 2.3758 -1130.8334 0.0000 0.0000 2636.2549 6120.4469 291.1817 3484.1920 6152.1803 291.7641 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: 4962.61, 0.00391441/step Wall: 4962.61, 0.00391441/step, 1.38331 hours remaining, 113.781250 MB of memory in use. ENERGY: 1227800 646.0889 1797.7003 1962.1563 108.1722 1.7010 -1078.7764 0.0000 0.0000 2689.0330 6126.0751 297.0112 3437.0422 6157.7926 295.1666 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: 4963.39, 0.00391474/step Wall: 4963.39, 0.00391474/step, 1.38321 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1228000 635.5414 1818.3806 1960.6011 103.0459 2.8418 -1097.8419 0.0000 0.0000 2674.4782 6097.0471 295.4036 3422.5689 6131.8372 294.8830 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: 4964.18, 0.00390654/step Wall: 4964.18, 0.00390654/step, 1.38009 hours remaining, 113.781250 MB of memory in use. ENERGY: 1228200 624.9400 1845.8191 1939.0358 110.5375 2.7369 -1098.2207 0.0000 0.0000 2655.3148 6080.1633 293.2869 3424.8485 6112.9637 293.7622 LDB: ============= START OF LOAD BALANCING ============== 4966.88 LDB: ============== END OF LOAD BALANCING =============== 4966.88 LDB: =============== DONE WITH MIGRATION ================ 4966.88 LDB: ============= START OF LOAD BALANCING ============== 4967.27 LDB: ============== END OF LOAD BALANCING =============== 4967.27 LDB: =============== DONE WITH MIGRATION ================ 4967.27 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: 4964.96, 0.00391943/step Wall: 4964.96, 0.00391943/step, 1.38443 hours remaining, 113.781250 MB of memory in use. ENERGY: 1228400 633.9093 1793.0891 1959.6119 98.5441 2.3383 -1060.6481 0.0000 0.0000 2678.0410 6104.8856 295.7971 3426.8446 6139.4978 293.0422 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: 4965.74, 0.00391426/step Wall: 4965.74, 0.00391426/step, 1.38239 hours remaining, 113.781250 MB of memory in use. ENERGY: 1228600 611.4549 1844.0793 1943.3911 109.0742 1.6599 -1055.6106 0.0000 0.0000 2664.4728 6118.5215 294.2984 3454.0487 6153.5140 294.2243 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: 4966.53, 0.00391686/step Wall: 4966.53, 0.00391686/step, 1.38309 hours remaining, 113.781250 MB of memory in use. ENERGY: 1228800 672.8806 1788.9752 1976.9797 109.7131 2.1908 -1080.4949 0.0000 0.0000 2704.3172 6174.5617 298.6994 3470.2444 6207.5474 296.8043 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: 4967.31, 0.00391414/step Wall: 4967.31, 0.00391414/step, 1.38191 hours remaining, 113.781250 MB of memory in use. ENERGY: 1229000 589.7599 1856.5848 1967.8412 115.6864 1.5374 -1061.0673 0.0000 0.0000 2706.1868 6176.5293 298.9059 3470.3425 6208.6826 297.2430 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: 4968.09, 0.00390772/step Wall: 4968.09, 0.00390772/step, 1.37943 hours remaining, 113.781250 MB of memory in use. ENERGY: 1229200 653.2060 1805.3120 1969.9151 105.5175 2.0204 -1073.1070 0.0000 0.0000 2682.9060 6145.7701 296.3344 3462.8641 6177.6176 295.1225 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: 4968.87, 0.00391629/step Wall: 4968.87, 0.00391629/step, 1.38223 hours remaining, 113.781250 MB of memory in use. ENERGY: 1229400 630.5300 1806.1732 1966.8507 114.0989 1.8769 -1064.3065 0.0000 0.0000 2734.1237 6189.3468 301.9916 3455.2231 6223.0472 296.9232 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: 4969.66, 0.00391443/step Wall: 4969.66, 0.00391443/step, 1.38136 hours remaining, 113.781250 MB of memory in use. ENERGY: 1229600 658.2630 1870.4961 1953.3572 103.1789 2.4042 -1058.3388 0.0000 0.0000 2689.5125 6218.8730 297.0641 3529.3606 6250.2884 298.2100 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: 4970.44, 0.00391401/step Wall: 4970.44, 0.00391401/step, 1.38099 hours remaining, 113.781250 MB of memory in use. ENERGY: 1229800 639.5651 1868.2369 1987.4419 122.7402 0.5231 -1079.5031 0.0000 0.0000 2669.1624 6208.1666 294.8164 3539.0041 6241.6753 300.1315 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: 4971.22, 0.00390841/step Wall: 4971.22, 0.00390841/step, 1.3788 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1230000 659.0646 1859.0248 1968.1017 110.6222 3.0361 -1049.9092 0.0000 0.0000 2684.2929 6234.2331 296.4876 3549.9402 6265.6389 300.0155 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1230000 WRITING COORDINATES TO DCD FILE MD.1.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: 4972.04, 0.00410451/step Wall: 4972.04, 0.00410451/step, 1.44775 hours remaining, 113.781250 MB of memory in use. ENERGY: 1230200 674.0929 1808.6010 1985.9398 108.9743 1.9141 -1062.8918 0.0000 0.0000 2684.1060 6200.7361 296.4670 3516.6301 6234.0812 298.8551 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: 4972.82, 0.00391671/step Wall: 4972.82, 0.00391671/step, 1.38129 hours remaining, 113.781250 MB of memory in use. ENERGY: 1230400 648.6768 1824.5634 1980.3089 110.2329 0.2187 -1059.3757 0.0000 0.0000 2725.3960 6230.0210 301.0276 3504.6251 6261.8900 298.5938 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: 4973.61, 0.00391489/step Wall: 4973.61, 0.00391489/step, 1.38043 hours remaining, 113.781250 MB of memory in use. ENERGY: 1230600 643.8311 1797.4083 1998.0243 105.1528 0.8300 -1031.8148 0.0000 0.0000 2709.8249 6223.2565 299.3077 3513.4316 6257.0174 299.1771 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: 4974.39, 0.00391377/step Wall: 4974.39, 0.00391377/step, 1.37982 hours remaining, 113.781250 MB of memory in use. ENERGY: 1230800 654.5022 1792.9577 1956.2379 116.7514 0.7162 -1026.4760 0.0000 0.0000 2671.2613 6165.9507 295.0483 3494.6894 6195.0265 298.0854 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: 4975.17, 0.003909/step Wall: 4975.17, 0.003909/step, 1.37792 hours remaining, 113.781250 MB of memory in use. ENERGY: 1231000 619.9735 1856.3178 1940.5287 111.6403 2.2423 -1087.3811 0.0000 0.0000 2717.7463 6161.0678 300.1827 3443.3215 6194.1869 297.3312 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: 4975.96, 0.00391518/step Wall: 4975.96, 0.00391518/step, 1.37988 hours remaining, 113.781250 MB of memory in use. ENERGY: 1231200 672.8406 1844.7271 1940.1290 100.7906 3.3863 -1097.5839 0.0000 0.0000 2641.3627 6105.6523 291.7459 3464.2896 6138.1712 296.1667 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: 4976.74, 0.00391497/step Wall: 4976.74, 0.00391497/step, 1.37959 hours remaining, 113.781250 MB of memory in use. ENERGY: 1231400 636.3946 1850.5385 1941.3553 98.8297 3.5899 -1048.9317 0.0000 0.0000 2699.4932 6181.2695 298.1665 3481.7763 6216.8664 298.3000 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: 4977.52, 0.00391526/step Wall: 4977.52, 0.00391526/step, 1.37948 hours remaining, 113.781250 MB of memory in use. ENERGY: 1231600 660.7115 1855.3336 1957.7481 114.7961 1.9435 -1071.6810 0.0000 0.0000 2636.6183 6155.4701 291.2218 3518.8518 6185.9523 297.4455 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: 4979.27, 0.00875836/step Wall: 4979.27, 0.00875836/step, 3.08537 hours remaining, 113.781250 MB of memory in use. ENERGY: 1231800 652.7567 1788.4975 1933.6011 105.6486 1.2252 -1071.3961 0.0000 0.0000 2731.1049 6141.4380 301.6581 3410.3331 6175.5125 297.3515 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: 4980.06, 0.00393769/step Wall: 4980.06, 0.00393769/step, 1.38694 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1232000 639.7507 1814.7972 1978.8480 104.5035 0.4802 -1093.8421 0.0000 0.0000 2652.5833 6097.1207 292.9852 3444.5374 6131.2425 295.9639 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: 4980.84, 0.00391451/step Wall: 4980.84, 0.00391451/step, 1.37856 hours remaining, 113.781250 MB of memory in use. ENERGY: 1232200 653.2154 1839.6150 1932.7329 106.3917 1.5980 -1071.9257 0.0000 0.0000 2615.1114 6076.7387 288.8463 3461.6273 6108.2736 292.7874 LDB: ============= START OF LOAD BALANCING ============== 4983.54 LDB: ============== END OF LOAD BALANCING =============== 4983.54 LDB: =============== DONE WITH MIGRATION ================ 4983.54 LDB: ============= START OF LOAD BALANCING ============== 4983.94 LDB: ============== END OF LOAD BALANCING =============== 4983.94 LDB: =============== DONE WITH MIGRATION ================ 4983.94 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: 4981.63, 0.0039199/step Wall: 4981.63, 0.0039199/step, 1.38024 hours remaining, 113.781250 MB of memory in use. ENERGY: 1232400 649.3277 1829.2097 1971.1384 112.3772 2.6052 -1062.5461 0.0000 0.0000 2583.2085 6085.3206 285.3226 3502.1121 6114.8329 292.6566 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: 4982.41, 0.00391839/step Wall: 4982.41, 0.00391839/step, 1.37949 hours remaining, 113.781250 MB of memory in use. ENERGY: 1232600 640.2841 1786.5769 1959.5719 113.0660 2.0469 -1092.4284 0.0000 0.0000 2647.4798 6056.5974 292.4215 3409.1175 6090.3533 292.4746 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: 4983.19, 0.00390907/step Wall: 4983.19, 0.00390907/step, 1.37599 hours remaining, 113.781250 MB of memory in use. ENERGY: 1232800 655.9233 1859.3867 1956.9378 110.0424 -0.3440 -1097.6362 0.0000 0.0000 2607.3649 6091.6750 287.9907 3484.3100 6120.3723 291.1138 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: 4983.98, 0.00391714/step Wall: 4983.98, 0.00391714/step, 1.37862 hours remaining, 113.781250 MB of memory in use. ENERGY: 1233000 624.8887 1806.8976 1968.1479 111.1941 1.1505 -1105.7755 0.0000 0.0000 2685.3942 6091.8975 296.6093 3406.5033 6125.1565 293.3497 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: 4984.76, 0.00391813/step Wall: 4984.76, 0.00391813/step, 1.37874 hours remaining, 113.781250 MB of memory in use. ENERGY: 1233200 658.9937 1875.0881 1972.8105 99.0057 0.9072 -1125.6185 0.0000 0.0000 2673.9716 6155.1582 295.3476 3481.1867 6185.0601 295.9111 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: 4985.54, 0.00391581/step Wall: 4985.54, 0.00391581/step, 1.37771 hours remaining, 113.781250 MB of memory in use. ENERGY: 1233400 621.2390 1853.3510 1969.8998 105.8924 1.8841 -1099.1372 0.0000 0.0000 2688.2711 6141.4003 296.9270 3453.1292 6173.1880 297.1692 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: 4986.33, 0.00391508/step Wall: 4986.33, 0.00391508/step, 1.37724 hours remaining, 113.781250 MB of memory in use. ENERGY: 1233600 642.9383 1832.5266 1963.3573 108.9075 2.3909 -1064.4130 0.0000 0.0000 2702.0452 6187.7529 298.4484 3485.7076 6222.5018 296.9771 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: 4987.11, 0.00390644/step Wall: 4987.11, 0.00390644/step, 1.37398 hours remaining, 113.781250 MB of memory in use. ENERGY: 1233800 663.1729 1908.9168 1960.1263 111.5491 0.6021 -1144.9110 0.0000 0.0000 2743.6845 6243.1407 303.0476 3499.4562 6274.5595 300.3963 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: 4987.89, 0.00392803/step Wall: 4987.89, 0.00392803/step, 1.38136 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1234000 639.7282 1916.7468 1954.7227 107.2471 0.4041 -1055.4780 0.0000 0.0000 2690.8852 6254.2562 297.2158 3563.3709 6288.0345 302.4109 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: 4988.68, 0.0039171/step Wall: 4988.68, 0.0039171/step, 1.3773 hours remaining, 113.781250 MB of memory in use. ENERGY: 1234200 648.8922 1862.8356 1984.8988 114.6866 1.2670 -1089.4630 0.0000 0.0000 2714.6976 6237.8148 299.8459 3523.1172 6272.6235 300.2496 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: 4989.46, 0.00391485/step Wall: 4989.46, 0.00391485/step, 1.37629 hours remaining, 113.781250 MB of memory in use. ENERGY: 1234400 652.0665 1845.2674 1965.3415 115.0903 1.0047 -1092.2344 0.0000 0.0000 2717.0446 6203.5805 300.1051 3486.5360 6238.2475 300.6108 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: 4990.24, 0.00390663/step Wall: 4990.24, 0.00390663/step, 1.37318 hours remaining, 113.781250 MB of memory in use. ENERGY: 1234600 693.3367 1946.5506 1952.5169 110.1799 1.6162 -1094.5059 0.0000 0.0000 2648.4686 6258.1631 292.5307 3609.6945 6287.9112 299.9613 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: 4991.02, 0.00391464/step Wall: 4991.02, 0.00391464/step, 1.37578 hours remaining, 113.781250 MB of memory in use. ENERGY: 1234800 689.6010 1859.5379 1968.1289 117.2225 0.3022 -1055.1394 0.0000 0.0000 2633.7324 6213.3857 290.9031 3579.6533 6246.2030 300.4840 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: 4991.81, 0.00391239/step Wall: 4991.81, 0.00391239/step, 1.37477 hours remaining, 113.781250 MB of memory in use. ENERGY: 1235000 632.0379 1856.5640 1907.0972 96.5731 0.8332 -1060.1399 0.0000 0.0000 2797.9338 6230.8993 309.0396 3432.9655 6266.9156 299.9620 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: 4992.59, 0.00391358/step Wall: 4992.59, 0.00391358/step, 1.37497 hours remaining, 113.781250 MB of memory in use. ENERGY: 1235200 639.8289 1869.0761 1960.7047 108.4917 1.7588 -1050.5454 0.0000 0.0000 2701.4788 6230.7936 298.3859 3529.3149 6263.7314 300.9984 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: 4993.37, 0.00391394/step Wall: 4993.37, 0.00391394/step, 1.37488 hours remaining, 113.781250 MB of memory in use. ENERGY: 1235400 664.6387 1919.5781 1928.1816 97.7279 2.7511 -1075.3961 0.0000 0.0000 2749.7326 6287.2140 303.7156 3537.4814 6320.6640 302.5380 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: 4994.15, 0.00390771/step Wall: 4994.15, 0.00390771/step, 1.37247 hours remaining, 113.781250 MB of memory in use. ENERGY: 1235600 661.4120 1859.2606 1963.1636 96.7696 2.0291 -1069.1516 0.0000 0.0000 2744.2731 6257.7564 303.1126 3513.4833 6293.5148 303.6751 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: 4994.94, 0.00391698/step Wall: 4994.94, 0.00391698/step, 1.37551 hours remaining, 113.781250 MB of memory in use. ENERGY: 1235800 648.6221 1847.0918 1965.4759 106.8688 1.2023 -1024.0965 0.0000 0.0000 2694.2904 6239.4549 297.5919 3545.1645 6272.6226 302.7828 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: 4995.72, 0.00391697/step Wall: 4995.72, 0.00391697/step, 1.37529 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1236000 672.3597 1800.8817 1967.7541 102.1180 1.3670 -1029.7195 0.0000 0.0000 2712.6050 6227.3660 299.6148 3514.7610 6260.3434 299.9918 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: 4996.5, 0.00391772/step Wall: 4996.5, 0.00391772/step, 1.37534 hours remaining, 113.781250 MB of memory in use. ENERGY: 1236200 667.3933 1808.9506 1911.1837 108.6178 2.6126 -989.4806 0.0000 0.0000 2679.2437 6188.5211 295.9299 3509.2774 6222.1076 297.6019 LDB: ============= START OF LOAD BALANCING ============== 4999.2 LDB: ============== END OF LOAD BALANCING =============== 4999.2 LDB: =============== DONE WITH MIGRATION ================ 4999.2 LDB: ============= START OF LOAD BALANCING ============== 4999.6 LDB: ============== END OF LOAD BALANCING =============== 4999.6 LDB: =============== DONE WITH MIGRATION ================ 4999.6 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: 4997.29, 0.00391392/step Wall: 4997.29, 0.00391392/step, 1.37379 hours remaining, 113.781250 MB of memory in use. ENERGY: 1236400 669.0607 1826.7837 1977.1640 112.9826 0.8248 -1035.8782 0.0000 0.0000 2664.6164 6215.5539 294.3143 3550.9375 6245.9511 296.3829 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: 4998.07, 0.00392095/step Wall: 4998.07, 0.00392095/step, 1.37604 hours remaining, 113.781250 MB of memory in use. ENERGY: 1236600 630.5060 1887.5909 1939.8650 100.3952 1.8768 -1007.3696 0.0000 0.0000 2706.4026 6259.2669 298.9297 3552.8643 6293.4045 298.7984 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: 4998.85, 0.00391263/step Wall: 4998.85, 0.00391263/step, 1.3729 hours remaining, 113.781250 MB of memory in use. ENERGY: 1236800 647.5078 1878.0702 1966.0059 112.0888 0.3946 -1026.7271 0.0000 0.0000 2682.3399 6259.6801 296.2719 3577.3401 6291.0226 300.1128 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: 4999.64, 0.00391111/step Wall: 4999.64, 0.00391111/step, 1.37215 hours remaining, 113.781250 MB of memory in use. ENERGY: 1237000 694.4083 1890.9347 1952.1405 103.1744 1.4399 -1049.5355 0.0000 0.0000 2697.4657 6290.0279 297.9426 3592.5622 6321.0063 302.6833 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: 5000.42, 0.0039123/step Wall: 5000.42, 0.0039123/step, 1.37235 hours remaining, 113.781250 MB of memory in use. ENERGY: 1237200 615.9749 1911.0932 1945.2288 101.7787 1.2805 -1049.7208 0.0000 0.0000 2714.5768 6240.2121 299.8326 3525.6353 6273.5861 302.2579 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: 5001.2, 0.00390741/step Wall: 5001.2, 0.00390741/step, 1.37042 hours remaining, 113.781250 MB of memory in use. ENERGY: 1237400 669.9379 1845.1078 1934.1845 107.7506 1.2573 -1040.6512 0.0000 0.0000 2745.5380 6263.1249 303.2523 3517.5869 6299.2296 302.8328 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: 5001.98, 0.00391243/step Wall: 5001.98, 0.00391243/step, 1.37196 hours remaining, 113.781250 MB of memory in use. ENERGY: 1237600 661.3598 1888.8069 1975.9322 122.4901 1.2680 -1092.1354 0.0000 0.0000 2732.7997 6290.5213 301.8453 3557.7215 6324.4426 304.0531 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: 5002.76, 0.0039126/step Wall: 5002.76, 0.0039126/step, 1.3718 hours remaining, 113.781250 MB of memory in use. ENERGY: 1237800 715.5381 1892.7244 1926.6078 95.2540 0.6074 -1066.5622 0.0000 0.0000 2721.0144 6285.1839 300.5436 3564.1696 6317.3265 303.0172 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: 5003.55, 0.00391222/step Wall: 5003.55, 0.00391222/step, 1.37145 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1238000 657.5403 1877.6019 1988.3379 106.3331 0.5447 -1089.5986 0.0000 0.0000 2745.7532 6286.5125 303.2761 3540.7593 6318.8681 304.2373 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: 5004.33, 0.00390738/step Wall: 5004.33, 0.00390738/step, 1.36954 hours remaining, 113.781250 MB of memory in use. ENERGY: 1238200 685.2575 1850.5852 1960.1656 106.1426 2.3502 -1078.9600 0.0000 0.0000 2757.0281 6282.5691 304.5214 3525.5410 6316.6482 302.5977 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: 5005.11, 0.00391038/step Wall: 5005.11, 0.00391038/step, 1.37037 hours remaining, 113.781250 MB of memory in use. ENERGY: 1238400 685.7902 1854.8388 1958.6213 114.0156 1.0029 -1073.1599 0.0000 0.0000 2745.5364 6286.6453 303.2521 3541.1089 6320.7281 302.9175 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: 5005.89, 0.00391185/step Wall: 5005.89, 0.00391185/step, 1.37067 hours remaining, 113.781250 MB of memory in use. ENERGY: 1238600 683.7863 1880.8891 1949.4866 105.3714 1.9000 -1089.1647 0.0000 0.0000 2737.3963 6269.6650 302.3530 3532.2687 6301.8202 302.9204 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: 5006.68, 0.00391247/step Wall: 5006.68, 0.00391247/step, 1.37067 hours remaining, 113.781250 MB of memory in use. ENERGY: 1238800 680.8075 1869.3401 1932.5726 105.2749 1.7204 -1064.1995 0.0000 0.0000 2738.1266 6263.6426 302.4337 3525.5160 6297.4753 301.5489 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: 5007.46, 0.00391289/step Wall: 5007.46, 0.00391289/step, 1.3706 hours remaining, 113.781250 MB of memory in use. ENERGY: 1239000 660.2567 1835.4719 1927.5627 109.1047 1.3241 -1085.0433 0.0000 0.0000 2766.9307 6215.6075 305.6152 3448.6768 6252.3743 300.5685 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: 5008.24, 0.00390782/step Wall: 5008.24, 0.00390782/step, 1.36861 hours remaining, 113.781250 MB of memory in use. ENERGY: 1239200 677.5190 1849.9342 1992.4173 105.7725 1.7143 -1058.1534 0.0000 0.0000 2738.1067 6307.3105 302.4315 3569.2038 6344.3932 302.9009 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: 5009.02, 0.00391445/step Wall: 5009.02, 0.00391445/step, 1.37071 hours remaining, 113.781250 MB of memory in use. ENERGY: 1239400 665.8347 1847.2276 1960.4613 103.9505 1.8795 -1061.4941 0.0000 0.0000 2725.3817 6243.2412 301.0260 3517.8595 6276.6180 301.9869 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: 5009.8, 0.00391277/step Wall: 5009.8, 0.00391277/step, 1.3699 hours remaining, 113.781250 MB of memory in use. ENERGY: 1239600 641.2209 1870.6527 1928.5850 117.3394 2.1903 -1080.9461 0.0000 0.0000 2723.3082 6202.3505 300.7970 3479.0423 6235.2128 298.1697 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: 5010.59, 0.00391376/step Wall: 5010.59, 0.00391376/step, 1.37004 hours remaining, 113.781250 MB of memory in use. ENERGY: 1239800 649.3283 1850.8706 1961.7793 105.4620 0.7323 -1034.9289 0.0000 0.0000 2663.7405 6196.9842 294.2176 3533.2437 6229.5478 300.0699 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: 5011.37, 0.0039137/step Wall: 5011.37, 0.0039137/step, 1.3698 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1240000 645.1876 1832.5035 1953.2148 104.6837 1.8317 -1059.7642 0.0000 0.0000 2691.4538 6169.1109 297.2786 3477.6570 6203.3124 298.3000 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1240000 WRITING COORDINATES TO DCD FILE MD.1.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: 5012.19, 0.00409706/step Wall: 5012.19, 0.00409706/step, 1.43374 hours remaining, 113.781250 MB of memory in use. ENERGY: 1240200 631.6190 1841.1494 1939.6759 98.7775 1.7496 -1056.3840 0.0000 0.0000 2722.3184 6178.9058 300.6877 3456.5874 6210.8520 298.1526 LDB: ============= START OF LOAD BALANCING ============== 5014.89 LDB: ============== END OF LOAD BALANCING =============== 5014.89 LDB: =============== DONE WITH MIGRATION ================ 5014.89 LDB: ============= START OF LOAD BALANCING ============== 5015.28 LDB: ============== END OF LOAD BALANCING =============== 5015.28 LDB: =============== DONE WITH MIGRATION ================ 5015.28 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: 5012.97, 0.0039183/step Wall: 5012.97, 0.0039183/step, 1.37097 hours remaining, 113.781250 MB of memory in use. ENERGY: 1240400 685.4604 1852.4808 1933.7776 107.2213 1.9562 -1102.2765 0.0000 0.0000 2714.7244 6193.3442 299.8489 3478.6199 6225.7332 297.3690 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: 5013.76, 0.00391438/step Wall: 5013.76, 0.00391438/step, 1.36938 hours remaining, 113.781250 MB of memory in use. ENERGY: 1240600 656.5869 1834.8250 1926.7833 99.1708 0.7189 -1058.2650 0.0000 0.0000 2718.0098 6177.8298 300.2118 3459.8199 6209.5607 298.9919 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: 5014.54, 0.00391459/step Wall: 5014.54, 0.00391459/step, 1.36924 hours remaining, 113.781250 MB of memory in use. ENERGY: 1240800 632.1167 1860.1147 1976.3164 96.5216 0.7018 -1083.9121 0.0000 0.0000 2651.3715 6133.2306 292.8514 3481.8591 6163.5693 296.0548 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: 5015.32, 0.00390882/step Wall: 5015.32, 0.00390882/step, 1.367 hours remaining, 113.781250 MB of memory in use. ENERGY: 1241000 676.1779 1830.5976 1939.0649 126.6132 0.5727 -1108.5794 0.0000 0.0000 2652.1932 6116.6402 292.9421 3464.4470 6147.9292 294.3529 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: 5016.1, 0.00391377/step Wall: 5016.1, 0.00391377/step, 1.36852 hours remaining, 113.781250 MB of memory in use. ENERGY: 1241200 633.7244 1823.1016 1941.4775 116.8551 2.1641 -1072.0926 0.0000 0.0000 2683.6582 6128.8885 296.4175 3445.2302 6162.4472 293.0489 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: 5016.89, 0.00391629/step Wall: 5016.89, 0.00391629/step, 1.36918 hours remaining, 113.781250 MB of memory in use. ENERGY: 1241400 648.8381 1835.6169 1941.1605 102.8919 -0.2995 -1099.2123 0.0000 0.0000 2684.1723 6113.1679 296.4743 3428.9956 6148.1852 296.1038 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: 5017.67, 0.00391566/step Wall: 5017.67, 0.00391566/step, 1.36874 hours remaining, 113.781250 MB of memory in use. ENERGY: 1241600 645.0287 1839.1478 1938.4045 105.3733 0.6486 -1067.6019 0.0000 0.0000 2733.9978 6194.9989 301.9777 3461.0010 6229.8618 296.6822 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: 5018.45, 0.00391682/step Wall: 5018.45, 0.00391682/step, 1.36893 hours remaining, 113.781250 MB of memory in use. ENERGY: 1241800 649.2086 1872.1812 1971.6741 108.4972 1.3739 -1078.6188 0.0000 0.0000 2712.5086 6236.8249 299.6041 3524.3163 6271.3008 300.1099 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: 5019.24, 0.00391091/step Wall: 5019.24, 0.00391091/step, 1.36664 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1242000 635.3103 1835.0871 1983.8647 109.4849 0.8797 -1095.4295 0.0000 0.0000 2730.0986 6199.2958 301.5470 3469.1972 6233.4292 300.1055 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: 5020.02, 0.00391917/step Wall: 5020.02, 0.00391917/step, 1.36931 hours remaining, 113.781250 MB of memory in use. ENERGY: 1242200 638.3573 1852.5843 1932.6242 109.2165 0.4043 -1056.8779 0.0000 0.0000 2733.9333 6210.2420 301.9705 3476.3087 6243.7685 298.7145 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: 5020.8, 0.003916/step Wall: 5020.8, 0.003916/step, 1.36799 hours remaining, 113.781250 MB of memory in use. ENERGY: 1242400 635.8217 1867.5027 1950.6620 110.6855 0.9090 -1088.1715 0.0000 0.0000 2715.5700 6192.9794 299.9423 3477.4094 6225.7575 298.6577 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: 5021.59, 0.00391529/step Wall: 5021.59, 0.00391529/step, 1.36753 hours remaining, 113.781250 MB of memory in use. ENERGY: 1242600 654.0448 1842.9819 1950.6364 105.4447 1.9921 -1085.6676 0.0000 0.0000 2730.5053 6199.9376 301.5919 3469.4324 6234.1318 299.8789 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: 5022.37, 0.00391091/step Wall: 5022.37, 0.00391091/step, 1.36578 hours remaining, 113.781250 MB of memory in use. ENERGY: 1242800 693.5823 1835.9892 1963.3228 117.0545 0.0800 -1120.1516 0.0000 0.0000 2796.7228 6286.6000 308.9058 3489.8772 6320.7853 301.5193 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: 5023.15, 0.00391572/step Wall: 5023.15, 0.00391572/step, 1.36724 hours remaining, 113.781250 MB of memory in use. ENERGY: 1243000 662.7887 1900.2003 1944.2041 117.4705 0.6895 -1046.2350 0.0000 0.0000 2653.2201 6232.3383 293.0556 3579.1182 6265.5432 302.4893 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: 5023.93, 0.00391546/step Wall: 5023.93, 0.00391546/step, 1.36693 hours remaining, 113.781250 MB of memory in use. ENERGY: 1243200 635.9064 1856.2926 1958.1253 114.2243 0.3550 -1047.4380 0.0000 0.0000 2718.0754 6235.5409 300.2190 3517.4655 6268.0087 299.3349 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: 5024.72, 0.00391664/step Wall: 5024.72, 0.00391665/step, 1.36713 hours remaining, 113.781250 MB of memory in use. ENERGY: 1243400 694.8283 1878.4208 1941.8749 100.8077 0.5792 -1116.7288 0.0000 0.0000 2727.0879 6226.8701 301.2145 3499.7821 6261.0691 301.3080 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: 5025.5, 0.00391707/step Wall: 5025.5, 0.00391707/step, 1.36706 hours remaining, 113.781250 MB of memory in use. ENERGY: 1243600 606.8599 1876.9607 1955.8277 116.0527 0.7699 -1048.5358 0.0000 0.0000 2681.5828 6189.5178 296.1883 3507.9350 6224.0585 299.9386 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: 5026.28, 0.0039113/step Wall: 5026.28, 0.0039113/step, 1.36483 hours remaining, 113.781250 MB of memory in use. ENERGY: 1243800 621.3560 1840.1638 1974.7326 122.2590 -0.1348 -1075.9953 0.0000 0.0000 2682.2992 6164.6805 296.2674 3482.3813 6195.5688 296.8875 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: 5027.07, 0.00391865/step Wall: 5027.07, 0.00391865/step, 1.36718 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1244000 679.1398 1833.0206 1942.1305 100.0726 -0.0580 -1080.0121 0.0000 0.0000 2765.2259 6239.5193 305.4269 3474.2935 6275.9215 299.4838 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: 5027.85, 0.00391603/step Wall: 5027.85, 0.00391603/step, 1.36604 hours remaining, 113.781250 MB of memory in use. ENERGY: 1244200 676.2231 1873.7899 1963.9552 114.7266 0.8561 -1103.9127 0.0000 0.0000 2717.8195 6243.4576 300.1907 3525.6382 6272.7903 300.3179 LDB: ============= START OF LOAD BALANCING ============== 5030.55 LDB: ============== END OF LOAD BALANCING =============== 5030.55 LDB: =============== DONE WITH MIGRATION ================ 5030.55 LDB: ============= START OF LOAD BALANCING ============== 5030.94 LDB: ============== END OF LOAD BALANCING =============== 5030.94 LDB: =============== DONE WITH MIGRATION ================ 5030.94 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: 5028.63, 0.00392196/step Wall: 5028.63, 0.00392196/step, 1.36789 hours remaining, 113.781250 MB of memory in use. ENERGY: 1244400 655.1278 1872.3987 1964.4314 113.7074 0.2990 -1066.5350 0.0000 0.0000 2692.9738 6232.4031 297.4465 3539.4293 6263.5905 301.5101 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: 5029.42, 0.00391731/step Wall: 5029.42, 0.00391731/step, 1.36605 hours remaining, 113.781250 MB of memory in use. ENERGY: 1244600 645.6613 1830.9254 1945.4730 114.1819 0.0119 -1085.0685 0.0000 0.0000 2740.6608 6191.8459 302.7136 3451.1851 6227.8581 301.3145 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: 5030.2, 0.00391063/step Wall: 5030.2, 0.00391063/step, 1.36351 hours remaining, 113.781250 MB of memory in use. ENERGY: 1244800 653.6378 1880.8928 1959.2876 100.0895 0.4917 -1079.8346 0.0000 0.0000 2727.5772 6242.1420 301.2685 3514.5648 6275.4276 301.1996 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: 5030.98, 0.00391911/step Wall: 5030.98, 0.00391911/step, 1.36624 hours remaining, 113.781250 MB of memory in use. ENERGY: 1245000 670.0886 1879.9846 1937.2947 97.4186 1.4555 -1061.0803 0.0000 0.0000 2720.4943 6245.6560 300.4862 3525.1617 6278.4315 302.0761 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: 5031.77, 0.00391634/step Wall: 5031.77, 0.00391634/step, 1.36506 hours remaining, 113.781250 MB of memory in use. ENERGY: 1245200 662.2357 1826.9198 1971.1195 104.8943 0.7147 -1069.9170 0.0000 0.0000 2730.2720 6226.2389 301.5661 3495.9670 6260.3578 301.1514 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: 5032.55, 0.00391558/step Wall: 5032.55, 0.00391558/step, 1.36458 hours remaining, 113.781250 MB of memory in use. ENERGY: 1245400 718.8051 1795.1121 1971.0986 110.1338 -1.1728 -1038.1554 0.0000 0.0000 2657.1273 6212.9487 293.4871 3555.8214 6243.5061 299.6227 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: 5033.33, 0.00391043/step Wall: 5033.33, 0.00391043/step, 1.36257 hours remaining, 113.781250 MB of memory in use. ENERGY: 1245600 688.6472 1883.2297 1984.6751 87.9130 -0.0111 -1122.2091 0.0000 0.0000 2709.6224 6231.8672 299.2853 3522.2448 6263.6377 299.9163 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: 5034.12, 0.00391596/step Wall: 5034.12, 0.00391596/step, 1.36428 hours remaining, 113.781250 MB of memory in use. ENERGY: 1245800 693.7670 1828.9961 1959.8964 114.4466 1.8969 -1074.0018 0.0000 0.0000 2678.6715 6203.6726 295.8667 3525.0011 6234.7704 299.2536 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: 5034.9, 0.00391732/step Wall: 5034.9, 0.00391732/step, 1.36453 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1246000 645.5650 1850.8781 1964.7163 105.9905 2.0307 -1051.4022 0.0000 0.0000 2719.0091 6236.7875 300.3221 3517.7784 6271.2295 299.6230 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: 5035.68, 0.00391775/step Wall: 5035.68, 0.00391775/step, 1.36446 hours remaining, 113.781250 MB of memory in use. ENERGY: 1246200 646.3260 1809.8217 1983.8432 110.8819 1.9383 -1094.7708 0.0000 0.0000 2708.4898 6166.5301 299.1602 3458.0403 6200.7285 299.3734 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: 5036.47, 0.00391647/step Wall: 5036.47, 0.00391647/step, 1.3638 hours remaining, 113.781250 MB of memory in use. ENERGY: 1246400 665.1903 1829.2653 1935.3590 101.8277 1.4503 -1078.0923 0.0000 0.0000 2691.9280 6146.9282 297.3309 3455.0002 6182.0966 298.4494 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: 5037.25, 0.00390936/step Wall: 5037.25, 0.00390936/step, 1.36111 hours remaining, 113.781250 MB of memory in use. ENERGY: 1246600 604.0522 1792.8940 1949.7564 102.1187 0.2181 -1029.2598 0.0000 0.0000 2731.0968 6150.8765 301.6573 3419.7797 6187.2773 294.9607 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: 5038.03, 0.00392321/step Wall: 5038.03, 0.00392321/step, 1.36571 hours remaining, 113.781250 MB of memory in use. ENERGY: 1246800 669.1768 1847.0639 1927.3567 107.8495 0.7744 -1048.2335 0.0000 0.0000 2674.1915 6178.1791 295.3719 3503.9876 6213.3808 297.3316 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: 5038.82, 0.00391844/step Wall: 5038.82, 0.00391844/step, 1.36383 hours remaining, 113.781250 MB of memory in use. ENERGY: 1247000 704.7626 1835.2210 1944.1535 104.9636 0.7119 -1051.4141 0.0000 0.0000 2677.5947 6215.9932 295.7478 3538.3984 6248.3313 298.1628 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: 5039.6, 0.00391637/step Wall: 5039.6, 0.00391637/step, 1.3629 hours remaining, 113.781250 MB of memory in use. ENERGY: 1247200 668.4837 1790.8394 1936.4731 97.9062 1.5390 -1041.6884 0.0000 0.0000 2727.4994 6181.0524 301.2599 3453.5529 6216.6927 297.6123 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: 5040.38, 0.00391354/step Wall: 5040.38, 0.00391354/step, 1.3617 hours remaining, 113.781250 MB of memory in use. ENERGY: 1247400 649.4174 1913.5952 1963.9279 105.4440 1.7458 -1065.8662 0.0000 0.0000 2575.8253 6144.0894 284.5071 3568.2640 6173.6207 295.1920 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: 5041.17, 0.00391903/step Wall: 5041.17, 0.00391903/step, 1.36339 hours remaining, 113.781250 MB of memory in use. ENERGY: 1247600 630.2080 1827.7963 1969.9081 97.5122 0.9894 -1080.7496 0.0000 0.0000 2682.7564 6128.4208 296.3179 3445.6644 6159.9460 294.6857 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: 5041.95, 0.0039182/step Wall: 5041.95, 0.0039182/step, 1.36288 hours remaining, 113.781250 MB of memory in use. ENERGY: 1247800 659.5699 1807.4255 1958.3473 112.1985 0.5962 -1065.1876 0.0000 0.0000 2648.2332 6121.1830 292.5047 3472.9498 6153.6080 294.0308 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: 5042.73, 0.00391904/step Wall: 5042.73, 0.00391904/step, 1.36296 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1248000 619.7657 1811.2240 1953.6186 125.5779 2.1129 -1051.0123 0.0000 0.0000 2680.7305 6142.0174 296.0942 3461.2868 6172.8209 293.7482 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: 5043.52, 0.00391993/step Wall: 5043.52, 0.00391993/step, 1.36305 hours remaining, 113.781250 MB of memory in use. ENERGY: 1248200 641.4550 1864.6671 1930.4201 104.6445 0.8782 -1063.1035 0.0000 0.0000 2695.2605 6174.2219 297.6990 3478.9614 6206.1198 295.8259 LDB: ============= START OF LOAD BALANCING ============== 5046.22 LDB: ============== END OF LOAD BALANCING =============== 5046.22 LDB: =============== DONE WITH MIGRATION ================ 5046.22 LDB: ============= START OF LOAD BALANCING ============== 5046.61 LDB: ============== END OF LOAD BALANCING =============== 5046.61 LDB: =============== DONE WITH MIGRATION ================ 5046.61 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: 5044.3, 0.00391616/step Wall: 5044.3, 0.00391616/step, 1.36152 hours remaining, 113.781250 MB of memory in use. ENERGY: 1248400 626.4639 1801.6839 1954.7368 106.6156 0.8362 -1035.7544 0.0000 0.0000 2734.9967 6189.5787 302.0880 3454.5821 6223.8812 297.4256 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: 5045.08, 0.00391847/step Wall: 5045.08, 0.00391847/step, 1.3621 hours remaining, 113.781250 MB of memory in use. ENERGY: 1248600 644.3896 1922.6447 1927.6926 94.9534 2.3030 -1038.8956 0.0000 0.0000 2619.3970 6172.4847 289.3197 3553.0877 6204.2899 296.1578 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: 5045.87, 0.00392058/step Wall: 5045.87, 0.00392058/step, 1.36262 hours remaining, 113.781250 MB of memory in use. ENERGY: 1248800 652.4562 1810.2085 1944.2218 99.8363 1.0488 -1083.5193 0.0000 0.0000 2718.9839 6143.2361 300.3193 3424.2522 6177.6937 295.0173 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: 5046.65, 0.00392128/step Wall: 5046.65, 0.00392128/step, 1.36264 hours remaining, 113.781250 MB of memory in use. ENERGY: 1249000 623.3224 1867.8490 1963.2675 92.1087 -0.6110 -1100.4574 0.0000 0.0000 2672.0332 6117.5124 295.1335 3445.4791 6150.5952 294.7185 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: 5047.44, 0.00393016/step Wall: 5047.44, 0.00393016/step, 1.36551 hours remaining, 113.781250 MB of memory in use. ENERGY: 1249200 631.4401 1838.6312 1942.9228 121.4127 1.5897 -1077.4346 0.0000 0.0000 2651.8608 6110.4227 292.9054 3458.5619 6142.2006 294.4291 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: 5048.68, 0.00622778/step Wall: 5048.68, 0.00622778/step, 2.16346 hours remaining, 113.781250 MB of memory in use. ENERGY: 1249400 643.9124 1814.3733 1940.9039 104.0800 1.5150 -1051.6178 0.0000 0.0000 2679.3007 6132.4676 295.9362 3453.1669 6162.7789 294.6587 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: 5049.47, 0.00395368/step Wall: 5049.47, 0.00395368/step, 1.37324 hours remaining, 113.781250 MB of memory in use. ENERGY: 1249600 638.4469 1853.9170 1954.4447 96.4418 1.3413 -1142.3782 0.0000 0.0000 2718.6756 6120.8891 300.2853 3402.2135 6152.6597 295.1425 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: 5050.26, 0.00391106/step Wall: 5050.26, 0.00391106/step, 1.35822 hours remaining, 113.781250 MB of memory in use. ENERGY: 1249800 656.9002 1813.7843 1965.3333 120.1685 1.5367 -1098.6977 0.0000 0.0000 2661.9865 6121.0116 294.0238 3459.0252 6152.0514 295.0922 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: 5051.04, 0.00392237/step Wall: 5051.04, 0.00392237/step, 1.36193 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1250000 642.7807 1854.3579 1926.7374 118.3285 2.2411 -1096.8215 0.0000 0.0000 2682.2841 6129.9082 296.2658 3447.6241 6163.1461 295.5005 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1250000 WRITING COORDINATES TO DCD FILE MD.1.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: 5051.87, 0.00415863/step Wall: 5051.87, 0.00415863/step, 1.44374 hours remaining, 113.781250 MB of memory in use. ENERGY: 1250200 643.9331 1859.9187 1940.8397 110.3342 1.7462 -1084.9885 0.0000 0.0000 2707.8267 6179.6100 299.0870 3471.7833 6211.8556 297.8026 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: 5052.66, 0.00392108/step Wall: 5052.66, 0.00392108/step, 1.36105 hours remaining, 113.781250 MB of memory in use. ENERGY: 1250400 627.0234 1885.8326 1969.9233 115.3799 1.6783 -1077.5946 0.0000 0.0000 2624.7383 6146.9812 289.9097 3522.2429 6177.3915 297.6887 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: 5053.44, 0.00392041/step Wall: 5053.44, 0.00392041/step, 1.3606 hours remaining, 113.781250 MB of memory in use. ENERGY: 1250600 646.0818 1872.9747 1920.8047 96.9434 2.0195 -1058.1312 0.0000 0.0000 2692.1548 6172.8477 297.3560 3480.6929 6206.8147 297.1097 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: 5054.22, 0.00391403/step Wall: 5054.22, 0.00391403/step, 1.35817 hours remaining, 113.781250 MB of memory in use. ENERGY: 1250800 656.8565 1786.1110 1976.8473 116.5870 2.2291 -1082.7052 0.0000 0.0000 2707.3982 6163.3238 299.0397 3455.9255 6197.4610 297.0053 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: 5055.01, 0.00392021/step Wall: 5055.01, 0.00392021/step, 1.3601 hours remaining, 113.781250 MB of memory in use. ENERGY: 1251000 666.9252 1809.4020 1956.2002 107.1855 -0.3000 -1086.1005 0.0000 0.0000 2691.7312 6145.0436 297.3092 3453.3125 6178.4379 295.1753 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: 5055.79, 0.00392103/step Wall: 5055.79, 0.00392103/step, 1.36016 hours remaining, 113.781250 MB of memory in use. ENERGY: 1251200 643.6313 1839.8738 1957.4332 104.8833 0.6821 -1125.1496 0.0000 0.0000 2714.4959 6135.8499 299.8236 3421.3541 6168.9913 295.6488 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: 5056.58, 0.00392015/step Wall: 5056.58, 0.00392015/step, 1.35964 hours remaining, 113.781250 MB of memory in use. ENERGY: 1251400 638.6247 1797.2951 1973.2461 110.5761 1.7572 -1069.3177 0.0000 0.0000 2685.9465 6138.1280 296.6703 3452.1815 6172.6217 297.2166 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: 5057.36, 0.00391204/step Wall: 5057.36, 0.00391204/step, 1.35661 hours remaining, 113.781250 MB of memory in use. ENERGY: 1251600 626.0288 1794.9258 1943.0652 112.5394 -0.0819 -1050.6451 0.0000 0.0000 2718.0409 6143.8731 300.2152 3425.8323 6178.7055 297.2162 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: 5058.14, 0.00391852/step Wall: 5058.14, 0.00391852/step, 1.35864 hours remaining, 113.781250 MB of memory in use. ENERGY: 1251800 616.0314 1851.4790 1952.5553 117.6092 1.7986 -1064.1394 0.0000 0.0000 2644.6318 6119.9659 292.1069 3475.3342 6154.1013 293.8155 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: 5058.93, 0.00391994/step Wall: 5058.93, 0.00391994/step, 1.35891 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1252000 624.3571 1796.6281 1951.7055 108.2113 1.0577 -1038.3715 0.0000 0.0000 2655.5691 6099.1574 293.3150 3443.5883 6132.5954 294.9222 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: 5059.71, 0.0039208/step Wall: 5059.71, 0.0039208/step, 1.35899 hours remaining, 113.781250 MB of memory in use. ENERGY: 1252200 607.4869 1782.3129 1941.7110 94.7479 0.2197 -1066.7380 0.0000 0.0000 2712.9650 6072.7053 299.6545 3359.7403 6107.4651 293.7483 LDB: ============= START OF LOAD BALANCING ============== 5062.41 LDB: ============== END OF LOAD BALANCING =============== 5062.41 LDB: =============== DONE WITH MIGRATION ================ 5062.41 LDB: ============= START OF LOAD BALANCING ============== 5062.8 LDB: ============== END OF LOAD BALANCING =============== 5062.8 LDB: =============== DONE WITH MIGRATION ================ 5062.8 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: 5060.5, 0.00392542/step Wall: 5060.5, 0.00392542/step, 1.36037 hours remaining, 113.781250 MB of memory in use. ENERGY: 1252400 667.0273 1828.8569 1954.2957 95.6062 0.7441 -1092.1286 0.0000 0.0000 2615.1260 6069.5275 288.8480 3454.4014 6099.9301 291.2222 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: 5061.28, 0.00391241/step Wall: 5061.28, 0.00391241/step, 1.35565 hours remaining, 113.781250 MB of memory in use. ENERGY: 1252600 640.6122 1835.1444 1972.8764 108.4941 0.0805 -1053.4772 0.0000 0.0000 2600.5408 6104.2711 287.2370 3503.7303 6134.2866 292.1750 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: 5062.06, 0.00391943/step Wall: 5062.06, 0.00391943/step, 1.35787 hours remaining, 113.781250 MB of memory in use. ENERGY: 1252800 639.8761 1828.4884 1977.7853 107.5414 0.7362 -1061.1667 0.0000 0.0000 2645.3771 6138.6378 292.1893 3493.2608 6171.2173 293.1698 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: 5062.85, 0.00391949/step Wall: 5062.85, 0.00391949/step, 1.35767 hours remaining, 113.781250 MB of memory in use. ENERGY: 1253000 631.8707 1813.2461 1947.2973 117.1136 1.7825 -1068.5002 0.0000 0.0000 2668.1759 6110.9859 294.7075 3442.8100 6143.3141 295.7447 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: 5063.63, 0.00391699/step Wall: 5063.63, 0.00391699/step, 1.35658 hours remaining, 113.781250 MB of memory in use. ENERGY: 1253200 613.1739 1823.9618 1948.8650 106.6044 1.3789 -1079.3503 0.0000 0.0000 2657.2214 6071.8550 293.4975 3414.6336 6102.8524 293.8300 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: 5064.41, 0.00390998/step Wall: 5064.41, 0.00390998/step, 1.35394 hours remaining, 113.781250 MB of memory in use. ENERGY: 1253400 634.3336 1783.0577 1961.1702 125.5958 0.9457 -1091.0945 0.0000 0.0000 2652.6400 6066.6485 292.9915 3414.0086 6100.1457 292.9245 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: 5065.19, 0.00391473/step Wall: 5065.19, 0.00391473/step, 1.35537 hours remaining, 113.781250 MB of memory in use. ENERGY: 1253600 615.7635 1825.1526 1942.0269 110.1197 0.5886 -1045.2890 0.0000 0.0000 2643.2921 6091.6545 291.9590 3448.3624 6119.3938 292.6080 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: 5065.98, 0.00391739/step Wall: 5065.98, 0.00391739/step, 1.35607 hours remaining, 113.781250 MB of memory in use. ENERGY: 1253800 632.6128 1815.3134 1906.1744 97.2988 0.3171 -1061.8992 0.0000 0.0000 2657.2882 6047.1055 293.5049 3389.8173 6077.7966 291.9511 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: 5066.76, 0.00391549/step Wall: 5066.76, 0.00391549/step, 1.35519 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1254000 641.9519 1763.8196 1948.2891 107.7373 1.7678 -1038.9861 0.0000 0.0000 2660.1293 6084.7090 293.8187 3424.5797 6116.0758 291.8925 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: 5067.54, 0.00391711/step Wall: 5067.54, 0.00391711/step, 1.35554 hours remaining, 113.781250 MB of memory in use. ENERGY: 1254200 660.9796 1852.3449 1937.3999 98.3408 1.4994 -1049.9369 0.0000 0.0000 2630.1612 6130.7889 290.5086 3500.6276 6160.5659 293.7285 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: 5068.33, 0.00391047/step Wall: 5068.33, 0.00391046/step, 1.35302 hours remaining, 113.781250 MB of memory in use. ENERGY: 1254400 647.6438 1838.9573 1973.3635 108.5465 1.8850 -1058.3610 0.0000 0.0000 2698.1861 6210.2213 298.0222 3512.0352 6245.0175 297.5777 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: 5069.11, 0.00391398/step Wall: 5069.11, 0.00391398/step, 1.35402 hours remaining, 113.781250 MB of memory in use. ENERGY: 1254600 683.8179 1813.7226 1967.3587 107.9077 1.0696 -1106.8031 0.0000 0.0000 2736.3386 6203.4119 302.2362 3467.0732 6235.0601 298.5842 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: 5069.89, 0.00391443/step Wall: 5069.89, 0.00391443/step, 1.35396 hours remaining, 113.781250 MB of memory in use. ENERGY: 1254800 663.3225 1784.4458 1960.6387 101.0122 1.5755 -1042.0681 0.0000 0.0000 2693.5153 6162.4419 297.5063 3468.9266 6194.5704 298.7950 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: 5070.68, 0.00391561/step Wall: 5070.68, 0.00391561/step, 1.35415 hours remaining, 113.781250 MB of memory in use. ENERGY: 1255000 670.2611 1807.9576 1945.3713 109.5246 2.3525 -1063.2957 0.0000 0.0000 2732.9614 6205.1328 301.8632 3472.1715 6237.5486 296.7752 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: 5071.46, 0.00390909/step Wall: 5071.46, 0.00390909/step, 1.35168 hours remaining, 113.781250 MB of memory in use. ENERGY: 1255200 634.7018 1797.6726 1969.8192 106.8617 2.3023 -1045.2881 0.0000 0.0000 2767.3191 6233.3885 305.6581 3466.0695 6269.4752 298.7652 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: 5072.24, 0.00391348/step Wall: 5072.24, 0.00391348/step, 1.35298 hours remaining, 113.781250 MB of memory in use. ENERGY: 1255400 690.1377 1825.0432 1968.4296 102.2055 1.6726 -1051.6200 0.0000 0.0000 2708.4620 6244.3306 299.1572 3535.8686 6274.6034 300.5987 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: 5073.02, 0.003914/step Wall: 5073.02, 0.003914/step, 1.35294 hours remaining, 113.781250 MB of memory in use. ENERGY: 1255600 645.2294 1859.1917 1986.3651 107.4386 2.2390 -1096.5097 0.0000 0.0000 2713.6844 6217.6384 299.7340 3503.9540 6250.1931 300.8367 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: 5073.81, 0.00391349/step Wall: 5073.81, 0.00391349/step, 1.35255 hours remaining, 113.781250 MB of memory in use. ENERGY: 1255800 628.4706 1833.2512 1960.4857 102.3694 1.2398 -1091.7017 0.0000 0.0000 2732.2361 6166.3511 301.7831 3434.1150 6199.9179 299.9484 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: 5074.59, 0.00391525/step Wall: 5074.59, 0.00391525/step, 1.35294 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1256000 652.6571 1816.2111 1953.1251 104.2880 1.4446 -1072.5387 0.0000 0.0000 2680.2284 6135.4156 296.0387 3455.1871 6166.4297 296.0745 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: 5075.37, 0.00391119/step Wall: 5075.37, 0.00391119/step, 1.35132 hours remaining, 113.781250 MB of memory in use. ENERGY: 1256200 646.8468 1828.9158 1961.8796 104.4890 1.2091 -1050.9380 0.0000 0.0000 2679.2480 6171.6502 295.9304 3492.4022 6204.0475 296.1396 LDB: ============= START OF LOAD BALANCING ============== 5078.07 LDB: ============== END OF LOAD BALANCING =============== 5078.07 LDB: =============== DONE WITH MIGRATION ================ 5078.07 LDB: ============= START OF LOAD BALANCING ============== 5078.46 LDB: ============== END OF LOAD BALANCING =============== 5078.46 LDB: =============== DONE WITH MIGRATION ================ 5078.46 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: 5076.15, 0.00391881/step Wall: 5076.15, 0.00391881/step, 1.35373 hours remaining, 113.781250 MB of memory in use. ENERGY: 1256400 653.5266 1894.3561 1981.1954 111.8082 -0.3272 -1095.9426 0.0000 0.0000 2713.3854 6258.0019 299.7010 3544.6166 6291.0685 300.1878 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: 5076.94, 0.00391689/step Wall: 5076.94, 0.00391689/step, 1.35285 hours remaining, 113.781250 MB of memory in use. ENERGY: 1256600 636.6262 1878.1586 1975.0170 111.3055 0.1728 -1116.9772 0.0000 0.0000 2725.6976 6210.0005 301.0609 3484.3029 6245.6416 302.2088 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: 5077.72, 0.00392352/step Wall: 5077.72, 0.00392352/step, 1.35492 hours remaining, 113.781250 MB of memory in use. ENERGY: 1256800 632.6214 1845.7747 1975.9759 118.0663 0.8333 -1078.5511 0.0000 0.0000 2694.9273 6189.6480 297.6622 3494.7206 6222.0402 300.9208 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: 5078.51, 0.00391886/step Wall: 5078.51, 0.00391886/step, 1.35309 hours remaining, 113.781250 MB of memory in use. ENERGY: 1257000 626.3976 1857.3684 1953.4153 117.4402 0.3447 -1077.1356 0.0000 0.0000 2689.4789 6167.3096 297.0604 3477.8306 6199.5430 299.7469 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: 5079.29, 0.00391377/step Wall: 5079.29, 0.00391377/step, 1.35112 hours remaining, 113.781250 MB of memory in use. ENERGY: 1257200 637.6334 1856.1296 1940.1776 111.7924 0.6925 -1063.1985 0.0000 0.0000 2677.9813 6161.2083 295.7905 3483.2270 6193.5623 297.3447 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: 5080.07, 0.00391524/step Wall: 5080.07, 0.00391523/step, 1.35141 hours remaining, 113.781250 MB of memory in use. ENERGY: 1257400 645.3821 1849.1845 1960.3668 109.8108 0.8645 -1103.2433 0.0000 0.0000 2751.0222 6213.3877 303.8581 3462.3655 6247.5686 299.3984 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: 5080.85, 0.00391442/step Wall: 5080.85, 0.00391443/step, 1.35091 hours remaining, 113.781250 MB of memory in use. ENERGY: 1257600 664.0392 1838.6346 1945.2044 95.3407 -0.2653 -1080.3466 0.0000 0.0000 2743.2621 6205.8692 303.0009 3462.6070 6239.3618 299.1479 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: 5081.64, 0.00391539/step Wall: 5081.64, 0.00391539/step, 1.35103 hours remaining, 113.781250 MB of memory in use. ENERGY: 1257800 680.3019 1878.7264 1927.1975 108.7294 -1.1322 -1052.7182 0.0000 0.0000 2693.0921 6234.1970 297.4595 3541.1049 6266.1831 299.7708 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: 5082.42, 0.00391202/step Wall: 5082.42, 0.00391202/step, 1.34965 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1258000 687.1439 1839.8494 1961.3593 106.9149 0.4059 -1097.4354 0.0000 0.0000 2699.6819 6197.9200 298.1874 3498.2381 6230.4697 300.5115 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: 5083.2, 0.00391923/step Wall: 5083.2, 0.00391923/step, 1.35192 hours remaining, 113.781250 MB of memory in use. ENERGY: 1258200 655.8909 1829.6105 1965.9577 108.5359 1.2456 -1078.3202 0.0000 0.0000 2721.9625 6204.8828 300.6483 3482.9203 6240.1460 299.8126 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: 5083.99, 0.0039175/step Wall: 5083.99, 0.00391749/step, 1.3511 hours remaining, 113.781250 MB of memory in use. ENERGY: 1258400 634.0110 1885.9485 1957.5434 95.8828 1.0914 -1108.9356 0.0000 0.0000 2722.8383 6188.3799 300.7451 3465.5416 6222.2499 297.5441 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: 5084.77, 0.00391603/step Wall: 5084.77, 0.00391603/step, 1.35038 hours remaining, 113.781250 MB of memory in use. ENERGY: 1258600 649.6891 1851.6016 1951.9113 120.0240 1.1164 -1063.7497 0.0000 0.0000 2697.7855 6208.3782 297.9779 3510.5928 6239.3691 298.9759 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: 5085.55, 0.00391656/step Wall: 5085.55, 0.00391656/step, 1.35034 hours remaining, 113.781250 MB of memory in use. ENERGY: 1258800 650.3153 1903.9769 1923.2532 111.2999 0.4237 -1067.2725 0.0000 0.0000 2715.9639 6237.9604 299.9858 3521.9965 6269.5616 301.5647 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: 5086.34, 0.00391129/step Wall: 5086.34, 0.00391129/step, 1.34831 hours remaining, 113.781250 MB of memory in use. ENERGY: 1259000 690.9845 1857.0341 1925.2642 95.9053 1.0871 -1091.1406 0.0000 0.0000 2704.0737 6183.2083 298.6725 3479.1346 6218.3242 301.0935 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: 5087.12, 0.00391595/step Wall: 5087.12, 0.00391595/step, 1.3497 hours remaining, 113.781250 MB of memory in use. ENERGY: 1259200 674.2020 1860.0544 1938.0878 103.5066 0.3251 -1107.8317 0.0000 0.0000 2716.2665 6184.6107 300.0192 3468.3442 6216.7863 299.0960 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: 5087.9, 0.00392014/step Wall: 5087.9, 0.00392014/step, 1.35092 hours remaining, 113.781250 MB of memory in use. ENERGY: 1259400 644.7242 1845.4612 1934.9246 101.9964 0.6105 -1101.8466 0.0000 0.0000 2726.5851 6152.4554 301.1589 3425.8703 6185.6598 297.8265 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: 5088.69, 0.00392219/step Wall: 5088.69, 0.00392219/step, 1.35141 hours remaining, 113.781250 MB of memory in use. ENERGY: 1259600 667.8337 1826.3307 1930.9420 105.0657 1.0760 -1054.8250 0.0000 0.0000 2727.0988 6203.5219 301.2157 3476.4232 6236.3733 298.8958 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: 5089.47, 0.00391443/step Wall: 5089.47, 0.00391443/step, 1.34852 hours remaining, 113.781250 MB of memory in use. ENERGY: 1259800 665.3037 1854.9434 1963.0618 108.3547 2.5264 -1091.8329 0.0000 0.0000 2734.3595 6236.7165 302.0176 3502.3571 6269.8737 300.0380 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: 5090.26, 0.00392021/step Wall: 5090.26, 0.00392021/step, 1.35029 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1260000 672.4107 1879.6138 2001.7342 101.2605 2.5066 -1079.6648 0.0000 0.0000 2696.1524 6274.0134 297.7975 3577.8610 6304.1057 302.1016 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1260000 WRITING COORDINATES TO DCD FILE MD.1.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: 5091.11, 0.00425624/step Wall: 5091.11, 0.00425624/step, 1.4658 hours remaining, 113.781250 MB of memory in use. ENERGY: 1260200 674.9928 1858.3273 1977.4194 117.5962 1.1369 -1093.6782 0.0000 0.0000 2707.7294 6243.5240 299.0763 3535.7945 6274.1963 303.3667 LDB: ============= START OF LOAD BALANCING ============== 5093.81 LDB: ============== END OF LOAD BALANCING =============== 5093.81 LDB: =============== DONE WITH MIGRATION ================ 5093.81 LDB: ============= START OF LOAD BALANCING ============== 5094.2 LDB: ============== END OF LOAD BALANCING =============== 5094.2 LDB: =============== DONE WITH MIGRATION ================ 5094.2 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: 5091.89, 0.0039206/step Wall: 5091.89, 0.0039206/step, 1.34999 hours remaining, 113.781250 MB of memory in use. ENERGY: 1260400 615.1353 1849.8694 1968.7019 109.9225 0.1312 -1063.8426 0.0000 0.0000 2741.7791 6221.6968 302.8371 3479.9177 6256.1567 300.3161 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: 5092.67, 0.00391778/step Wall: 5092.67, 0.00391778/step, 1.34881 hours remaining, 113.781250 MB of memory in use. ENERGY: 1260600 675.6471 1815.4198 1937.8731 105.0651 0.1887 -1046.8639 0.0000 0.0000 2675.1787 6162.5087 295.4809 3487.3300 6194.8332 300.3578 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: 5093.46, 0.00391001/step Wall: 5093.46, 0.00391001/step, 1.34591 hours remaining, 113.781250 MB of memory in use. ENERGY: 1260800 683.4567 1830.7611 1956.0752 99.3790 1.7046 -1091.5759 0.0000 0.0000 2697.0391 6176.8399 297.8955 3479.8008 6211.5198 297.2445 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: 5094.24, 0.00391605/step Wall: 5094.24, 0.00391605/step, 1.34777 hours remaining, 113.781250 MB of memory in use. ENERGY: 1261000 676.7678 1853.6981 1951.0380 120.2101 1.2484 -1073.9740 0.0000 0.0000 2689.0949 6218.0832 297.0180 3528.9883 6250.4002 300.7736 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: 5095.02, 0.00391832/step Wall: 5095.02, 0.00391832/step, 1.34834 hours remaining, 113.781250 MB of memory in use. ENERGY: 1261200 666.9808 1791.9487 1949.0157 115.3000 1.3526 -1048.6436 0.0000 0.0000 2725.1588 6201.1128 301.0014 3475.9541 6231.9745 299.1400 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: 5095.81, 0.00391774/step Wall: 5095.81, 0.00391774/step, 1.34792 hours remaining, 113.781250 MB of memory in use. ENERGY: 1261400 648.4329 1816.1175 1933.3648 115.2745 2.5782 -1043.5383 0.0000 0.0000 2752.5516 6224.7813 304.0270 3472.2296 6259.0393 299.5570 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: 5096.59, 0.00391769/step Wall: 5096.59, 0.00391769/step, 1.34769 hours remaining, 113.781250 MB of memory in use. ENERGY: 1261600 669.5680 1841.6901 1934.4491 106.6582 2.2935 -1079.9421 0.0000 0.0000 2730.2245 6204.9413 301.5609 3474.7169 6239.4316 300.3167 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: 5097.37, 0.00390955/step Wall: 5097.37, 0.00390955/step, 1.34467 hours remaining, 113.781250 MB of memory in use. ENERGY: 1261800 641.7749 1856.1181 1946.1995 104.1546 1.5254 -1069.1903 0.0000 0.0000 2697.4301 6178.0123 297.9387 3480.5822 6207.8428 299.8655 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: 5098.16, 0.00391659/step Wall: 5098.16, 0.00391659/step, 1.34687 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1262000 644.4736 1815.8447 1944.0110 113.1278 2.5992 -1081.0844 0.0000 0.0000 2760.4706 6199.4425 304.9017 3438.9719 6234.0249 297.6669 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: 5098.94, 0.00391744/step Wall: 5098.94, 0.00391744/step, 1.34694 hours remaining, 113.781250 MB of memory in use. ENERGY: 1262200 688.1070 1818.8103 1917.2505 116.1979 2.1938 -1077.3478 0.0000 0.0000 2700.7926 6166.0044 298.3101 3465.2117 6197.2480 298.2550 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: 5099.72, 0.00391665/step Wall: 5099.72, 0.00391664/step, 1.34645 hours remaining, 113.781250 MB of memory in use. ENERGY: 1262400 671.8846 1818.6553 1968.8178 114.7254 2.2403 -1083.8435 0.0000 0.0000 2723.4317 6215.9115 300.8106 3492.4798 6249.0768 299.4810 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: 5100.5, 0.0039096/step Wall: 5100.5, 0.0039096/step, 1.34382 hours remaining, 113.781250 MB of memory in use. ENERGY: 1262600 627.1719 1899.8642 1952.0338 108.4875 1.4159 -1085.3607 0.0000 0.0000 2688.3006 6191.9131 296.9303 3503.6126 6224.2068 300.9329 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: 5101.29, 0.00392024/step Wall: 5101.29, 0.00392024/step, 1.34726 hours remaining, 113.781250 MB of memory in use. ENERGY: 1262800 633.8186 1834.1750 1948.8000 108.1823 1.5094 -1048.9775 0.0000 0.0000 2678.9052 6156.4130 295.8925 3477.5078 6189.0106 297.8424 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: 5102.13, 0.00419003/step Wall: 5102.13, 0.00419003/step, 1.43974 hours remaining, 113.781250 MB of memory in use. ENERGY: 1263000 618.8073 1835.0998 1925.3906 117.5120 1.1748 -1065.9841 0.0000 0.0000 2685.7442 6117.7445 296.6479 3432.0003 6152.7716 298.3168 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: 5102.91, 0.00391102/step Wall: 5102.91, 0.00391102/step, 1.34365 hours remaining, 113.781250 MB of memory in use. ENERGY: 1263200 659.7689 1792.8165 1911.1464 106.8801 1.2984 -1072.8297 0.0000 0.0000 2640.4854 6039.5661 291.6490 3399.0807 6071.1407 292.8497 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: 5103.69, 0.00391137/step Wall: 5103.69, 0.00391137/step, 1.34356 hours remaining, 113.781250 MB of memory in use. ENERGY: 1263400 623.3426 1836.8745 1943.7776 91.5072 2.1673 -1104.7431 0.0000 0.0000 2648.5644 6041.4906 292.5413 3392.9262 6074.8902 291.1151 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: 5104.47, 0.00391232/step Wall: 5104.47, 0.00391232/step, 1.34367 hours remaining, 113.781250 MB of memory in use. ENERGY: 1263600 631.0499 1835.0929 1920.7197 94.3414 1.9038 -1108.1398 0.0000 0.0000 2688.7900 6063.7578 296.9843 3374.9679 6098.4313 291.2791 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: 5105.26, 0.00391138/step Wall: 5105.26, 0.00391138/step, 1.34312 hours remaining, 113.781250 MB of memory in use. ENERGY: 1263800 636.2643 1859.9095 1914.2047 100.1423 1.9339 -1101.3361 0.0000 0.0000 2702.7558 6113.8743 298.5269 3411.1185 6145.1229 293.8246 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: 5106.04, 0.00391358/step Wall: 5106.04, 0.00391358/step, 1.34366 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1264000 647.2957 1876.5388 1920.3774 101.7966 2.2237 -1086.9316 0.0000 0.0000 2699.9531 6161.2538 298.2173 3461.3007 6194.0107 297.8326 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: 5106.82, 0.00391125/step Wall: 5106.82, 0.00391125/step, 1.34265 hours remaining, 113.781250 MB of memory in use. ENERGY: 1264200 650.4821 1874.2621 1948.9749 111.3347 2.0023 -1068.1649 0.0000 0.0000 2677.0632 6195.9544 295.6891 3518.8912 6231.0175 297.4524 LDB: ============= START OF LOAD BALANCING ============== 5109.52 LDB: ============== END OF LOAD BALANCING =============== 5109.52 LDB: =============== DONE WITH MIGRATION ================ 5109.52 LDB: ============= START OF LOAD BALANCING ============== 5109.92 LDB: ============== END OF LOAD BALANCING =============== 5109.92 LDB: =============== DONE WITH MIGRATION ================ 5109.92 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: 5107.61, 0.0039308/step Wall: 5107.61, 0.0039308/step, 1.34914 hours remaining, 113.781250 MB of memory in use. ENERGY: 1264400 698.8033 1849.4477 1930.7732 100.0302 2.1550 -1099.9054 0.0000 0.0000 2701.6025 6182.9065 298.3995 3481.3040 6215.1625 300.1850 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: 5108.39, 0.00391366/step Wall: 5108.39, 0.00391366/step, 1.34304 hours remaining, 113.781250 MB of memory in use. ENERGY: 1264600 662.9623 1874.5351 1946.6854 111.7061 2.1387 -1112.1402 0.0000 0.0000 2694.9928 6180.8803 297.6695 3485.8874 6215.2789 299.3414 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: 5109.17, 0.00391019/step Wall: 5109.17, 0.00391019/step, 1.34163 hours remaining, 113.781250 MB of memory in use. ENERGY: 1264800 673.6762 1868.6008 1921.8022 113.3847 2.1993 -1089.5307 0.0000 0.0000 2724.9861 6215.1186 300.9823 3490.1326 6249.0610 301.3051 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: 5109.95, 0.003911/step Wall: 5109.95, 0.003911/step, 1.34169 hours remaining, 113.781250 MB of memory in use. ENERGY: 1265000 659.2274 1872.0346 1953.9399 112.9844 -0.0640 -1067.6226 0.0000 0.0000 2670.9131 6201.4128 295.0098 3530.4997 6231.9486 300.6610 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: 5110.74, 0.00391049/step Wall: 5110.74, 0.00391049/step, 1.3413 hours remaining, 113.781250 MB of memory in use. ENERGY: 1265200 670.0012 1823.0494 1957.1729 115.8735 0.7545 -1056.2564 0.0000 0.0000 2714.2672 6224.8623 299.7984 3510.5951 6261.3264 299.8297 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: 5111.52, 0.00390844/step Wall: 5111.52, 0.00390844/step, 1.34038 hours remaining, 113.781250 MB of memory in use. ENERGY: 1265400 662.6381 1872.2217 1956.0160 108.8150 0.3556 -1103.9670 0.0000 0.0000 2748.4926 6244.5720 303.5787 3496.0794 6278.7974 300.8730 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: 5112.3, 0.00390945/step Wall: 5112.3, 0.00390944/step, 1.34051 hours remaining, 113.781250 MB of memory in use. ENERGY: 1265600 659.6300 1810.1099 1993.9329 102.9040 1.5972 -1093.2007 0.0000 0.0000 2730.7472 6205.7205 301.6186 3474.9733 6241.5660 301.1403 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: 5113.08, 0.00390662/step Wall: 5113.08, 0.00390663/step, 1.33932 hours remaining, 113.781250 MB of memory in use. ENERGY: 1265800 654.9340 1839.5442 1959.0000 107.4323 0.3215 -1071.9271 0.0000 0.0000 2713.2156 6202.5204 299.6822 3489.3048 6236.9594 299.2679 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: 5113.86, 0.00390848/step Wall: 5113.86, 0.00390848/step, 1.33974 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1266000 682.8072 1882.9993 1948.2174 111.2336 0.7827 -1064.9926 0.0000 0.0000 2720.3380 6281.3856 300.4689 3561.0477 6314.0657 302.7129 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: 5114.64, 0.00390824/step Wall: 5114.64, 0.00390824/step, 1.33944 hours remaining, 113.781250 MB of memory in use. ENERGY: 1266200 668.2903 1887.5478 1956.5156 109.2516 0.1590 -1099.1606 0.0000 0.0000 2741.0318 6263.6355 302.7546 3522.6037 6296.9865 303.3950 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: 5115.43, 0.00390781/step Wall: 5115.43, 0.00390781/step, 1.33908 hours remaining, 113.781250 MB of memory in use. ENERGY: 1266400 676.5670 1873.4758 1964.6487 117.1294 0.5944 -1041.8697 0.0000 0.0000 2699.6150 6290.1606 298.1800 3590.5456 6322.2608 302.7873 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: 5116.21, 0.00390935/step Wall: 5116.21, 0.00390935/step, 1.33939 hours remaining, 113.781250 MB of memory in use. ENERGY: 1266600 647.2918 1809.2937 1962.2975 113.0988 1.7185 -1093.3602 0.0000 0.0000 2796.9162 6237.2562 308.9272 3440.3400 6274.1379 304.1463 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: 5116.99, 0.0039093/step Wall: 5116.99, 0.0039093/step, 1.33915 hours remaining, 113.781250 MB of memory in use. ENERGY: 1266800 624.2208 1817.5735 1957.4096 114.1048 1.1225 -1030.5355 0.0000 0.0000 2752.7487 6236.6444 304.0488 3483.8956 6275.7282 301.9353 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: 5117.77, 0.00391979/step Wall: 5117.77, 0.00391979/step, 1.34253 hours remaining, 113.781250 MB of memory in use. ENERGY: 1267000 674.8863 1834.0213 1934.0666 108.7677 0.2123 -1072.1347 0.0000 0.0000 2754.1355 6233.9550 304.2019 3479.8196 6266.8186 300.5313 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: 5118.55, 0.00390925/step Wall: 5118.55, 0.00390925/step, 1.3387 hours remaining, 113.781250 MB of memory in use. ENERGY: 1267200 611.0876 1880.2401 1959.9990 123.1537 0.7964 -1067.2455 0.0000 0.0000 2689.8353 6197.8666 297.0998 3508.0313 6228.5245 298.9220 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: 5119.34, 0.00391005/step Wall: 5119.34, 0.00391005/step, 1.33876 hours remaining, 113.781250 MB of memory in use. ENERGY: 1267400 645.9387 1855.4443 1945.6825 105.6656 1.3026 -1081.2001 0.0000 0.0000 2712.9512 6185.7848 299.6530 3472.8336 6218.0816 298.5176 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: 5120.12, 0.00391057/step Wall: 5120.12, 0.00391057/step, 1.33872 hours remaining, 113.781250 MB of memory in use. ENERGY: 1267600 667.0379 1791.4342 1958.7676 115.6411 0.2956 -1100.2485 0.0000 0.0000 2723.8605 6156.7883 300.8580 3432.9279 6190.8482 298.0774 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: 5120.9, 0.00391286/step Wall: 5120.9, 0.00391286/step, 1.33929 hours remaining, 113.781250 MB of memory in use. ENERGY: 1267800 638.3345 1866.4928 1951.7187 119.0436 0.7406 -1127.8958 0.0000 0.0000 2664.7172 6113.1516 294.3254 3448.4344 6147.8576 297.7604 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: 5121.68, 0.00391366/step Wall: 5121.68, 0.00391366/step, 1.33934 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1268000 630.5716 1889.4779 1911.7482 104.5505 1.6450 -1073.0742 0.0000 0.0000 2672.7278 6137.6469 295.2102 3464.9191 6170.1419 297.5502 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: 5122.47, 0.00391531/step Wall: 5122.47, 0.00391531/step, 1.33969 hours remaining, 113.781250 MB of memory in use. ENERGY: 1268200 633.4009 1767.9398 1933.7220 108.7639 1.0923 -1089.6371 0.0000 0.0000 2732.5072 6087.7891 301.8130 3355.2818 6121.1172 295.4994 LDB: ============= START OF LOAD BALANCING ============== 5125.17 LDB: ============== END OF LOAD BALANCING =============== 5125.17 LDB: =============== DONE WITH MIGRATION ================ 5125.17 LDB: ============= START OF LOAD BALANCING ============== 5125.56 LDB: ============== END OF LOAD BALANCING =============== 5125.56 LDB: =============== DONE WITH MIGRATION ================ 5125.56 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: 5123.25, 0.00391433/step Wall: 5123.25, 0.00391433/step, 1.33913 hours remaining, 113.781250 MB of memory in use. ENERGY: 1268400 682.1924 1811.3282 1961.0624 99.8962 -0.2031 -1109.0262 0.0000 0.0000 2666.2021 6111.4520 294.4894 3445.2499 6144.2631 296.0699 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: 5124.03, 0.00391114/step Wall: 5124.03, 0.00391114/step, 1.33783 hours remaining, 113.781250 MB of memory in use. ENERGY: 1268600 628.5910 1829.2832 1938.1988 109.5798 0.9631 -1069.6347 0.0000 0.0000 2685.6025 6122.5836 296.6323 3436.9812 6154.1399 295.3922 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: 5124.81, 0.00391007/step Wall: 5124.81, 0.00391007/step, 1.33724 hours remaining, 113.781250 MB of memory in use. ENERGY: 1268800 637.2154 1865.0580 1967.4536 111.5183 2.6559 -1080.2540 0.0000 0.0000 2604.8182 6108.4654 287.7094 3503.6472 6140.3815 294.1841 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: 5125.6, 0.00391024/step Wall: 5125.6, 0.00391024/step, 1.33708 hours remaining, 113.781250 MB of memory in use. ENERGY: 1269000 656.3987 1851.0158 1961.5936 105.8613 1.1765 -1075.8404 0.0000 0.0000 2612.5379 6112.7435 288.5621 3500.2055 6144.9140 295.0625 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: 5126.38, 0.0039119/step Wall: 5126.38, 0.0039119/step, 1.33744 hours remaining, 113.781250 MB of memory in use. ENERGY: 1269200 634.6023 1800.2644 1958.1925 106.6731 1.8238 -1057.5559 0.0000 0.0000 2639.9301 6083.9304 291.5876 3444.0003 6119.0606 292.1333 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: 5127.16, 0.00391057/step Wall: 5127.16, 0.00391057/step, 1.33676 hours remaining, 113.781250 MB of memory in use. ENERGY: 1269400 650.3159 1814.2059 1950.2979 98.6111 1.6591 -1084.3652 0.0000 0.0000 2719.8476 6150.5723 300.4147 3430.7246 6182.1716 293.7522 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: 5127.94, 0.0039123/step Wall: 5127.94, 0.0039123/step, 1.33714 hours remaining, 113.781250 MB of memory in use. ENERGY: 1269600 666.0392 1831.2905 1953.3008 115.1940 0.9249 -1077.3464 0.0000 0.0000 2639.0891 6128.4921 291.4947 3489.4030 6163.0551 295.5987 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: 5128.73, 0.00391138/step Wall: 5128.73, 0.00391138/step, 1.33661 hours remaining, 113.781250 MB of memory in use. ENERGY: 1269800 665.0574 1905.2549 1921.4436 100.5393 0.6359 -1077.9523 0.0000 0.0000 2699.8065 6214.7852 298.2012 3514.9787 6246.1583 298.1802 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: 5129.51, 0.00391129/step Wall: 5129.51, 0.00391129/step, 1.33636 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1270000 685.2839 1794.4149 1955.4775 107.6855 1.3150 -1064.9405 0.0000 0.0000 2662.7693 6142.0057 294.1103 3479.2364 6172.5821 298.5829 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1270000 WRITING COORDINATES TO DCD FILE MD.1.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: 5130.36, 0.00425488/step Wall: 5130.36, 0.00425488/step, 1.45351 hours remaining, 113.781250 MB of memory in use. ENERGY: 1270200 664.8021 1839.2901 1941.7012 92.3166 -0.3078 -1076.5639 0.0000 0.0000 2673.5265 6134.7649 295.2985 3461.2384 6171.0739 295.7024 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: 5131.14, 0.00392831/step Wall: 5131.14, 0.00392831/step, 1.34174 hours remaining, 113.781250 MB of memory in use. ENERGY: 1270400 620.9687 1886.2991 1949.2118 99.0294 2.3322 -1084.8637 0.0000 0.0000 2685.0396 6158.0170 296.5701 3472.9774 6191.3457 296.8608 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: 5131.93, 0.00391766/step Wall: 5131.93, 0.00391766/step, 1.33788 hours remaining, 113.781250 MB of memory in use. ENERGY: 1270600 643.6690 1856.8237 1968.7757 91.9732 1.5317 -1122.9600 0.0000 0.0000 2709.2882 6149.1015 299.2484 3439.8133 6183.8481 295.8401 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: 5132.71, 0.00391845/step Wall: 5132.71, 0.00391845/step, 1.33793 hours remaining, 113.781250 MB of memory in use. ENERGY: 1270800 659.0002 1806.8268 1953.5988 113.4457 2.0340 -1127.3151 0.0000 0.0000 2760.5780 6168.1683 304.9135 3407.5904 6201.5811 297.4991 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: 5133.49, 0.0039132/step Wall: 5133.49, 0.0039132/step, 1.33592 hours remaining, 113.781250 MB of memory in use. ENERGY: 1271000 649.7547 1819.8471 1991.8388 116.1431 2.0864 -1098.3041 0.0000 0.0000 2714.7457 6196.1118 299.8512 3481.3661 6233.1356 299.2206 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: 5134.28, 0.00391663/step Wall: 5134.28, 0.00391663/step, 1.33688 hours remaining, 113.781250 MB of memory in use. ENERGY: 1271200 624.8625 1888.0640 1934.2953 113.1595 2.7522 -1054.4760 0.0000 0.0000 2682.5482 6191.2057 296.2949 3508.6575 6222.2800 298.2178 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: 5135.06, 0.0039167/step Wall: 5135.06, 0.0039167/step, 1.33668 hours remaining, 113.781250 MB of memory in use. ENERGY: 1271400 637.0083 1796.3849 1962.5536 105.3652 0.3037 -1089.2152 0.0000 0.0000 2733.5945 6145.9949 301.9331 3412.4005 6181.9455 297.5126 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: 5135.84, 0.00391859/step Wall: 5135.84, 0.00391859/step, 1.33711 hours remaining, 113.781250 MB of memory in use. ENERGY: 1271600 671.4080 1805.9325 1936.3963 100.9212 1.8574 -1099.5232 0.0000 0.0000 2658.3237 6075.3158 293.6193 3416.9921 6105.5149 294.8397 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: 5136.63, 0.00391781/step Wall: 5136.63, 0.00391781/step, 1.33663 hours remaining, 113.781250 MB of memory in use. ENERGY: 1271800 671.8981 1806.3691 1958.3719 109.8572 0.4904 -1093.0551 0.0000 0.0000 2640.6764 6094.6081 291.6701 3453.9317 6124.2984 293.9334 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: 5137.41, 0.00391396/step Wall: 5137.41, 0.00391396/step, 1.33509 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1272000 622.3876 1815.9877 1934.5926 107.4154 1.4043 -1034.8065 0.0000 0.0000 2616.8515 6063.8326 289.0385 3446.9810 6091.5838 291.2420 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: 5138.19, 0.00391875/step Wall: 5138.19, 0.00391875/step, 1.33651 hours remaining, 113.781250 MB of memory in use. ENERGY: 1272200 615.5668 1852.5229 1946.3809 94.7705 1.8057 -1110.5369 0.0000 0.0000 2654.1690 6054.6788 293.1604 3400.5098 6087.2202 290.9032 LDB: ============= START OF LOAD BALANCING ============== 5140.9 LDB: ============== END OF LOAD BALANCING =============== 5140.9 LDB: =============== DONE WITH MIGRATION ================ 5140.9 LDB: ============= START OF LOAD BALANCING ============== 5141.29 LDB: ============== END OF LOAD BALANCING =============== 5141.29 LDB: =============== DONE WITH MIGRATION ================ 5141.29 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: 5138.98, 0.00392114/step Wall: 5138.98, 0.00392114/step, 1.33711 hours remaining, 113.781250 MB of memory in use. ENERGY: 1272400 629.4936 1809.7863 1952.0188 107.8078 2.8179 -1107.5501 0.0000 0.0000 2620.4641 6014.8384 289.4376 3394.3743 6044.8634 290.4407 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: 5139.76, 0.00391462/step Wall: 5139.76, 0.00391463/step, 1.33467 hours remaining, 113.781250 MB of memory in use. ENERGY: 1272600 623.3924 1837.8581 1906.9816 96.0686 1.8418 -1063.5323 0.0000 0.0000 2627.0698 6029.6800 290.1672 3402.6102 6061.8456 290.2505 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: 5140.54, 0.003911/step Wall: 5140.54, 0.003911/step, 1.33321 hours remaining, 113.781250 MB of memory in use. ENERGY: 1272800 639.1197 1872.2836 1955.1632 100.1141 -0.0425 -1124.4814 0.0000 0.0000 2611.0810 6053.2378 288.4012 3442.1568 6086.4016 289.7186 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: 5141.33, 0.00391671/step Wall: 5141.33, 0.00391671/step, 1.33495 hours remaining, 113.781250 MB of memory in use. ENERGY: 1273000 656.4584 1784.0379 1951.6839 94.9505 1.1452 -1089.4021 0.0000 0.0000 2643.4113 6042.2852 291.9721 3398.8739 6073.2609 291.2542 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: 5142.11, 0.00391687/step Wall: 5142.11, 0.00391687/step, 1.33478 hours remaining, 113.781250 MB of memory in use. ENERGY: 1273200 642.7065 1798.7851 1942.3883 109.5642 2.4344 -1103.6557 0.0000 0.0000 2678.6540 6070.8767 295.8648 3392.2228 6105.3216 292.8082 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: 5142.89, 0.00391807/step Wall: 5142.89, 0.00391807/step, 1.33497 hours remaining, 113.781250 MB of memory in use. ENERGY: 1273400 652.5714 1836.2033 1959.6782 102.6160 1.7311 -1088.0484 0.0000 0.0000 2639.3355 6104.0870 291.5220 3464.7515 6136.3154 292.2647 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: 5143.68, 0.00391693/step Wall: 5143.68, 0.00391693/step, 1.33437 hours remaining, 113.781250 MB of memory in use. ENERGY: 1273600 628.9061 1793.6760 1917.9473 119.1970 1.2569 -1088.6583 0.0000 0.0000 2725.6868 6098.0118 301.0597 3372.3250 6132.2908 294.2586 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: 5144.46, 0.00391204/step Wall: 5144.46, 0.00391204/step, 1.33248 hours remaining, 113.781250 MB of memory in use. ENERGY: 1273800 640.6357 1820.1888 1969.3493 114.0359 1.2418 -1085.6799 0.0000 0.0000 2652.0462 6111.8177 292.9259 3459.7715 6144.0567 293.8714 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: 5145.24, 0.00391751/step Wall: 5145.24, 0.00391751/step, 1.33413 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1274000 660.1814 1852.5886 1968.2852 118.3177 2.0686 -1087.5718 0.0000 0.0000 2687.2303 6201.0999 296.8121 3513.8696 6231.5977 296.9590 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: 5146.03, 0.00391803/step Wall: 5146.03, 0.00391803/step, 1.33409 hours remaining, 113.781250 MB of memory in use. ENERGY: 1274200 625.1500 1881.3959 1959.3909 104.1863 1.0082 -1068.7788 0.0000 0.0000 2662.2650 6164.6176 294.0546 3502.3526 6195.2536 297.5405 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: 5146.81, 0.00392007/step Wall: 5146.81, 0.00392007/step, 1.33457 hours remaining, 113.781250 MB of memory in use. ENERGY: 1274400 650.4590 1797.2100 1957.8380 110.9173 1.6001 -1070.3767 0.0000 0.0000 2708.7200 6156.3677 299.1857 3447.6477 6191.8262 296.9109 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: 5147.59, 0.00391165/step Wall: 5147.59, 0.00391165/step, 1.33148 hours remaining, 113.781250 MB of memory in use. ENERGY: 1274600 662.7065 1879.4127 1950.8151 112.5571 1.6246 -1062.4482 0.0000 0.0000 2693.8764 6238.5442 297.5461 3544.6678 6268.6291 300.2346 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: 5148.38, 0.00391795/step Wall: 5148.38, 0.00391795/step, 1.33341 hours remaining, 113.781250 MB of memory in use. ENERGY: 1274800 644.2316 1832.7023 1975.9290 108.7498 0.9331 -1072.3947 0.0000 0.0000 2688.2828 6178.4339 296.9283 3490.1511 6211.0011 299.7309 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: 5149.16, 0.00391472/step Wall: 5149.16, 0.00391472/step, 1.33209 hours remaining, 113.781250 MB of memory in use. ENERGY: 1275000 656.2071 1838.3366 1946.1932 106.9740 1.8531 -1069.8765 0.0000 0.0000 2733.6205 6213.3080 301.9360 3479.6875 6247.8448 300.5116 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: 5149.94, 0.00391495/step Wall: 5149.94, 0.00391495/step, 1.33195 hours remaining, 113.781250 MB of memory in use. ENERGY: 1275200 638.9348 1868.8565 1963.4093 103.7455 0.7546 -1080.2607 0.0000 0.0000 2743.5524 6238.9924 303.0330 3495.4400 6271.9843 299.5035 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: 5150.73, 0.00391555/step Wall: 5150.73, 0.00391555/step, 1.33194 hours remaining, 113.781250 MB of memory in use. ENERGY: 1275400 658.8241 1898.8488 1951.8088 104.8575 0.4795 -1089.1713 0.0000 0.0000 2699.6407 6225.2880 298.1828 3525.6473 6255.8230 301.1593 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: 5151.51, 0.00390888/step Wall: 5151.51, 0.00390888/step, 1.32945 hours remaining, 113.781250 MB of memory in use. ENERGY: 1275600 617.8395 1859.4662 1945.2249 102.5922 0.8672 -1079.0444 0.0000 0.0000 2705.6497 6152.5953 298.8465 3446.9457 6184.9519 299.8410 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: 5152.29, 0.00391406/step Wall: 5152.29, 0.00391406/step, 1.331 hours remaining, 113.781250 MB of memory in use. ENERGY: 1275800 643.6618 1832.3046 1943.7891 101.5650 0.3640 -1088.5486 0.0000 0.0000 2728.1377 6161.2737 301.3304 3433.1360 6198.3119 298.0887 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: 5153.07, 0.00391652/step Wall: 5153.07, 0.00391652/step, 1.33162 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1276000 668.8539 1764.3765 1961.2807 104.3450 1.3484 -1047.6974 0.0000 0.0000 2735.2359 6187.7430 302.1144 3452.5071 6221.0215 299.1285 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: 5153.86, 0.00391443/step Wall: 5153.86, 0.00391443/step, 1.33069 hours remaining, 113.781250 MB of memory in use. ENERGY: 1276200 675.8733 1886.7633 1962.0124 111.7849 0.5908 -1078.1532 0.0000 0.0000 2651.5984 6210.4700 292.8764 3558.8715 6242.1108 299.7595 LDB: ============= START OF LOAD BALANCING ============== 5156.56 LDB: ============== END OF LOAD BALANCING =============== 5156.56 LDB: =============== DONE WITH MIGRATION ================ 5156.56 LDB: ============= START OF LOAD BALANCING ============== 5156.95 LDB: ============== END OF LOAD BALANCING =============== 5156.95 LDB: =============== DONE WITH MIGRATION ================ 5156.95 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: 5154.64, 0.00391835/step Wall: 5154.64, 0.00391835/step, 1.3318 hours remaining, 113.781250 MB of memory in use. ENERGY: 1276400 622.5822 1829.5526 1946.7712 112.2179 2.0742 -1065.6095 0.0000 0.0000 2740.4098 6187.9984 302.6859 3447.5886 6223.6212 301.2819 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: 5155.42, 0.00390959/step Wall: 5155.42, 0.00390959/step, 1.32861 hours remaining, 113.781250 MB of memory in use. ENERGY: 1276600 653.8753 1819.3530 1949.8487 110.8595 1.6658 -1068.1435 0.0000 0.0000 2726.9512 6194.4100 301.1994 3467.4588 6230.7862 299.1665 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: 5156.21, 0.00391428/step Wall: 5156.21, 0.00391428/step, 1.32999 hours remaining, 113.781250 MB of memory in use. ENERGY: 1276800 662.6357 1808.6879 1972.3049 113.4425 0.7399 -1089.7805 0.0000 0.0000 2716.5925 6184.6228 300.0552 3468.0303 6215.2291 297.8626 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: 5156.99, 0.00391384/step Wall: 5156.99, 0.00391384/step, 1.32962 hours remaining, 113.781250 MB of memory in use. ENERGY: 1277000 665.9160 1857.8507 1948.6432 93.2927 1.7283 -1089.7058 0.0000 0.0000 2688.4403 6166.1655 296.9457 3477.7251 6196.2690 298.9147 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: 5157.77, 0.00392958/step Wall: 5157.77, 0.00392958/step, 1.33475 hours remaining, 113.781250 MB of memory in use. ENERGY: 1277200 667.7660 1833.6300 1953.6191 108.9440 0.7228 -1080.7110 0.0000 0.0000 2691.0858 6175.0568 297.2379 3483.9709 6207.3291 298.0310 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: 5158.56, 0.00390728/step Wall: 5158.56, 0.00390728/step, 1.32696 hours remaining, 113.781250 MB of memory in use. ENERGY: 1277400 659.3032 1826.4732 1942.5059 110.4732 1.4764 -1068.7545 0.0000 0.0000 2669.6792 6141.1566 294.8735 3471.4774 6172.6616 295.6370 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: 5159.34, 0.0039137/step Wall: 5159.34, 0.0039137/step, 1.32892 hours remaining, 113.781250 MB of memory in use. ENERGY: 1277600 671.3268 1895.1595 1936.3732 103.0279 0.6187 -1093.9613 0.0000 0.0000 2739.0456 6251.5904 302.5352 3512.5447 6283.9255 298.7448 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: 5160.12, 0.00391361/step Wall: 5160.12, 0.0039136/step, 1.32867 hours remaining, 113.781250 MB of memory in use. ENERGY: 1277800 642.6723 1824.9669 1957.2025 106.4474 1.4576 -1058.8038 0.0000 0.0000 2733.3223 6207.2654 301.9031 3473.9430 6241.0989 300.1442 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: 5160.9, 0.0039151/step Wall: 5160.9, 0.00391511/step, 1.32896 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1278000 637.0056 1875.5018 1952.3783 104.8925 2.0251 -1093.1171 0.0000 0.0000 2688.9989 6167.6851 297.0074 3478.6862 6199.7288 300.2951 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: 5161.69, 0.0039157/step Wall: 5161.69, 0.0039157/step, 1.32895 hours remaining, 113.781250 MB of memory in use. ENERGY: 1278200 667.9744 1894.1583 1962.9349 115.6864 1.5004 -1093.9475 0.0000 0.0000 2704.1752 6252.4821 298.6837 3548.3069 6285.6011 300.7934 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: 5162.47, 0.00390988/step Wall: 5162.47, 0.00390988/step, 1.32675 hours remaining, 113.781250 MB of memory in use. ENERGY: 1278400 641.5752 1867.3609 1947.0307 127.6036 1.4723 -1043.4275 0.0000 0.0000 2759.0881 6300.7032 304.7490 3541.6151 6330.7211 304.7852 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: 5163.25, 0.00391545/step Wall: 5163.25, 0.00391545/step, 1.32842 hours remaining, 113.781250 MB of memory in use. ENERGY: 1278600 667.4138 1826.1136 1971.7687 120.4137 2.0157 -1091.2704 0.0000 0.0000 2801.4376 6297.8926 309.4266 3496.4550 6335.0273 305.1424 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: 5164.04, 0.00391489/step Wall: 5164.04, 0.00391489/step, 1.32802 hours remaining, 113.781250 MB of memory in use. ENERGY: 1278800 683.4990 1867.2165 1961.4816 115.1345 3.1142 -1086.1349 0.0000 0.0000 2704.2993 6248.6103 298.6974 3544.3110 6280.9183 303.3174 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: 5164.82, 0.00391608/step Wall: 5164.82, 0.00391608/step, 1.3282 hours remaining, 113.781250 MB of memory in use. ENERGY: 1279000 652.9773 1840.8871 1982.6384 119.7200 1.4784 -1095.3020 0.0000 0.0000 2723.4766 6225.8759 300.8156 3502.3992 6261.6678 300.9941 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: 5165.6, 0.00391096/step Wall: 5165.6, 0.00391096/step, 1.32625 hours remaining, 113.781250 MB of memory in use. ENERGY: 1279200 632.3827 1806.0789 1981.4958 117.6918 0.2671 -1038.6402 0.0000 0.0000 2748.0464 6247.3225 303.5294 3499.2760 6282.6939 300.7671 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: 5166.38, 0.00391608/step Wall: 5166.38, 0.00391608/step, 1.32777 hours remaining, 113.781250 MB of memory in use. ENERGY: 1279400 663.8977 1855.8487 1955.1693 95.5211 1.1275 -1089.4843 0.0000 0.0000 2739.9859 6222.0659 302.6391 3482.0800 6257.4447 303.3607 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: 5167.17, 0.00391372/step Wall: 5167.17, 0.00391372/step, 1.32675 hours remaining, 113.781250 MB of memory in use. ENERGY: 1279600 693.7929 1861.8181 1925.9050 102.3272 1.4342 -1110.9623 0.0000 0.0000 2726.1171 6200.4321 301.1072 3474.3151 6233.4504 299.9014 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: 5167.95, 0.00392467/step Wall: 5167.95, 0.00392467/step, 1.33024 hours remaining, 113.781250 MB of memory in use. ENERGY: 1279800 642.8039 1873.6510 1966.3479 110.7196 0.2845 -1086.8772 0.0000 0.0000 2678.3108 6185.2405 295.8269 3506.9297 6218.6781 299.8310 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: 5168.74, 0.00392006/step Wall: 5168.74, 0.00392006/step, 1.32846 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1280000 665.1913 1835.1868 1934.7404 106.6687 0.8736 -1077.2280 0.0000 0.0000 2766.9031 6232.3360 305.6122 3465.4329 6266.9438 300.4434 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1280000 WRITING COORDINATES TO DCD FILE MD.1.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: 5169.57, 0.0041754/step Wall: 5169.57, 0.0041754/step, 1.41476 hours remaining, 113.781250 MB of memory in use. ENERGY: 1280200 652.8870 1828.4798 1944.1579 101.8885 1.4768 -1080.7780 0.0000 0.0000 2732.7937 6180.9058 301.8447 3448.1121 6212.0288 301.2834 LDB: ============= START OF LOAD BALANCING ============== 5172.27 LDB: ============== END OF LOAD BALANCING =============== 5172.27 LDB: =============== DONE WITH MIGRATION ================ 5172.27 LDB: ============= START OF LOAD BALANCING ============== 5172.66 LDB: ============== END OF LOAD BALANCING =============== 5172.66 LDB: =============== DONE WITH MIGRATION ================ 5172.66 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: 5170.36, 0.0039206/step Wall: 5170.36, 0.0039206/step, 1.32821 hours remaining, 113.781250 MB of memory in use. ENERGY: 1280400 608.6514 1875.8870 1970.5017 106.0565 -0.3507 -1102.8733 0.0000 0.0000 2710.8583 6168.7308 299.4218 3457.8725 6198.8468 299.7034 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: 5171.14, 0.00391276/step Wall: 5171.14, 0.00391276/step, 1.32534 hours remaining, 113.781250 MB of memory in use. ENERGY: 1280600 657.7020 1882.9305 1969.2114 113.9367 -0.2352 -1079.9658 0.0000 0.0000 2701.9605 6245.5400 298.4391 3543.5796 6275.9316 300.9795 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: 5171.92, 0.00391475/step Wall: 5171.92, 0.00391475/step, 1.3258 hours remaining, 113.781250 MB of memory in use. ENERGY: 1280800 649.5760 1886.5288 1947.8138 98.2408 0.4029 -1091.1716 0.0000 0.0000 2701.8283 6193.2190 298.4245 3491.3907 6225.3357 301.7395 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: 5172.7, 0.00391405/step Wall: 5172.7, 0.00391405/step, 1.32534 hours remaining, 113.781250 MB of memory in use. ENERGY: 1281000 639.8213 1831.6172 1962.2303 102.1391 -0.6329 -1085.5080 0.0000 0.0000 2741.8153 6191.4824 302.8411 3449.6671 6226.0762 299.0117 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: 5173.49, 0.00390885/step Wall: 5173.49, 0.00390885/step, 1.32336 hours remaining, 113.781250 MB of memory in use. ENERGY: 1281200 633.7725 1885.9837 1967.1100 120.8659 1.3744 -1100.4777 0.0000 0.0000 2678.8157 6187.4446 295.8827 3508.6289 6219.5986 297.7284 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: 5174.27, 0.0039125/step Wall: 5174.27, 0.0039125/step, 1.32438 hours remaining, 113.781250 MB of memory in use. ENERGY: 1281400 640.8664 1879.7475 1979.6074 108.4175 1.2752 -1092.6103 0.0000 0.0000 2799.1828 6316.4866 309.1775 3517.3037 6349.3335 303.1537 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: 5175.05, 0.00391418/step Wall: 5175.05, 0.00391418/step, 1.32473 hours remaining, 113.781250 MB of memory in use. ENERGY: 1281600 675.2680 1810.8244 2006.1511 103.8834 0.8958 -1099.9386 0.0000 0.0000 2715.4642 6212.5483 299.9306 3497.0841 6246.1579 303.1548 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: 5175.83, 0.00391405/step Wall: 5175.83, 0.00391405/step, 1.32447 hours remaining, 113.781250 MB of memory in use. ENERGY: 1281800 658.5586 1818.2234 1984.8175 109.1346 0.9930 -1088.2472 0.0000 0.0000 2765.3890 6248.8690 305.4449 3483.4800 6285.0867 299.8877 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: 5176.61, 0.0039084/step Wall: 5176.61, 0.0039084/step, 1.32234 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1282000 643.0557 1901.0123 1978.1937 103.5829 0.7589 -1053.8861 0.0000 0.0000 2694.8991 6267.6166 297.6591 3572.7175 6299.6062 302.5351 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: 5177.4, 0.00391346/step Wall: 5177.4, 0.00391346/step, 1.32384 hours remaining, 113.781250 MB of memory in use. ENERGY: 1282200 679.0559 1881.5077 1998.0586 103.5277 1.4111 -1092.6825 0.0000 0.0000 2723.1918 6294.0703 300.7841 3570.8785 6326.4497 302.3448 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: 5178.18, 0.00391097/step Wall: 5178.18, 0.00391097/step, 1.32278 hours remaining, 113.781250 MB of memory in use. ENERGY: 1282400 672.0076 1880.6125 1930.4290 104.7564 0.9151 -1065.7958 0.0000 0.0000 2704.0366 6226.9614 298.6684 3522.9248 6257.4411 300.3456 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: 5178.96, 0.00391395/step Wall: 5178.96, 0.00391395/step, 1.32357 hours remaining, 113.781250 MB of memory in use. ENERGY: 1282600 673.3707 1852.5356 1987.6989 123.8040 0.6857 -1072.4088 0.0000 0.0000 2699.2457 6264.9319 298.1392 3565.6862 6296.6049 301.8223 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: 5179.75, 0.00391351/step Wall: 5179.75, 0.00391351/step, 1.3232 hours remaining, 113.781250 MB of memory in use. ENERGY: 1282800 658.4277 1843.8271 1986.1468 119.2392 2.0801 -1107.0190 0.0000 0.0000 2667.6648 6170.3666 294.6510 3502.7018 6204.4872 300.1403 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: 5180.53, 0.00390926/step Wall: 5180.53, 0.00390926/step, 1.32155 hours remaining, 113.781250 MB of memory in use. ENERGY: 1283000 660.2498 1834.8168 1940.4411 127.7719 0.7058 -1101.8118 0.0000 0.0000 2721.6023 6183.7759 300.6086 3462.1736 6218.1809 299.0274 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: 5181.31, 0.00391207/step Wall: 5181.31, 0.00391207/step, 1.32228 hours remaining, 113.781250 MB of memory in use. ENERGY: 1283200 638.2858 1832.1351 1970.5910 103.3922 1.0243 -1095.3014 0.0000 0.0000 2725.3182 6175.4451 301.0190 3450.1269 6212.6106 299.9540 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: 5182.09, 0.00391364/step Wall: 5182.09, 0.00391364/step, 1.32259 hours remaining, 113.781250 MB of memory in use. ENERGY: 1283400 654.8802 1843.7024 1922.4890 109.9550 1.0874 -1071.7012 0.0000 0.0000 2673.6932 6134.1060 295.3169 3460.4129 6167.0270 297.1602 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: 5182.88, 0.00391503/step Wall: 5182.88, 0.00391503/step, 1.32285 hours remaining, 113.781250 MB of memory in use. ENERGY: 1283600 633.0368 1854.6263 1952.2247 113.5140 0.7574 -1083.0124 0.0000 0.0000 2697.8954 6169.0422 297.9901 3471.1468 6201.3078 296.9045 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: 5183.66, 0.00390848/step Wall: 5183.66, 0.00390848/step, 1.32041 hours remaining, 113.781250 MB of memory in use. ENERGY: 1283800 641.0086 1818.2749 1958.2729 105.1451 0.0419 -1070.8374 0.0000 0.0000 2723.8529 6175.7589 300.8571 3451.9060 6208.2003 297.7562 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: 5184.44, 0.00391289/step Wall: 5184.44, 0.00391289/step, 1.32169 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1284000 653.0135 1862.1067 1933.4841 108.2116 0.3174 -1125.4390 0.0000 0.0000 2658.1015 6089.7958 293.5947 3431.6943 6118.4894 295.6536 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: 5185.22, 0.00391342/step Wall: 5185.22, 0.00391342/step, 1.32165 hours remaining, 113.781250 MB of memory in use. ENERGY: 1284200 636.3927 1824.2820 1953.5880 95.1187 0.3506 -1052.6835 0.0000 0.0000 2636.0895 6093.1379 291.1634 3457.0484 6123.8114 294.2607 LDB: ============= START OF LOAD BALANCING ============== 5187.92 LDB: ============== END OF LOAD BALANCING =============== 5187.92 LDB: =============== DONE WITH MIGRATION ================ 5187.92 LDB: ============= START OF LOAD BALANCING ============== 5188.31 LDB: ============== END OF LOAD BALANCING =============== 5188.31 LDB: =============== DONE WITH MIGRATION ================ 5188.31 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: 5186.01, 0.00391826/step Wall: 5186.01, 0.00391826/step, 1.32307 hours remaining, 113.781250 MB of memory in use. ENERGY: 1284400 645.5407 1818.4811 1922.5678 103.4007 0.9794 -1056.8758 0.0000 0.0000 2616.2996 6050.3934 288.9776 3434.0938 6083.7972 292.3508 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: 5186.79, 0.00391223/step Wall: 5186.79, 0.00391223/step, 1.32081 hours remaining, 113.781250 MB of memory in use. ENERGY: 1284600 676.2815 1827.8798 1918.9422 103.6241 0.8140 -1075.7303 0.0000 0.0000 2618.4928 6070.3040 289.2198 3451.8112 6099.4048 292.8009 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: 5187.57, 0.00390778/step Wall: 5187.57, 0.00390778/step, 1.31909 hours remaining, 113.781250 MB of memory in use. ENERGY: 1284800 627.5585 1825.6238 1910.6541 100.4542 0.9703 -1096.0166 0.0000 0.0000 2738.8083 6108.0527 302.5090 3369.2443 6140.3142 293.2953 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: 5188.35, 0.00391531/step Wall: 5188.35, 0.00391531/step, 1.32142 hours remaining, 113.781250 MB of memory in use. ENERGY: 1285000 631.4433 1813.8925 1949.1456 125.0411 1.4784 -1044.5018 0.0000 0.0000 2639.0855 6115.5846 291.4943 3476.4991 6147.8760 295.4792 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: 5189.14, 0.00391221/step Wall: 5189.14, 0.00391221/step, 1.32015 hours remaining, 113.781250 MB of memory in use. ENERGY: 1285200 636.4912 1792.4589 1940.6744 116.7614 1.9772 -1071.0786 0.0000 0.0000 2672.8900 6090.1745 295.2281 3417.2845 6121.9190 293.2746 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: 5189.92, 0.00391153/step Wall: 5189.92, 0.00391153/step, 1.31971 hours remaining, 113.781250 MB of memory in use. ENERGY: 1285400 626.2180 1809.0850 1938.5953 111.2996 0.6484 -1078.3077 0.0000 0.0000 2748.6833 6156.2219 303.5997 3407.5385 6191.8455 295.4815 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: 5190.7, 0.00390742/step Wall: 5190.7, 0.00390742/step, 1.3181 hours remaining, 113.781250 MB of memory in use. ENERGY: 1285600 652.1211 1853.2892 1982.8419 106.9003 0.2565 -1077.4369 0.0000 0.0000 2631.5888 6149.5609 290.6663 3517.9721 6185.1804 295.3030 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: 5191.48, 0.0039121/step Wall: 5191.48, 0.0039121/step, 1.31947 hours remaining, 113.781250 MB of memory in use. ENERGY: 1285800 663.4608 1872.1303 1960.8710 97.6103 0.6757 -1098.9369 0.0000 0.0000 2718.7195 6214.5307 300.2901 3495.8112 6244.7306 297.5831 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: 5192.26, 0.00391261/step Wall: 5192.26, 0.00391261/step, 1.31942 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1286000 672.4844 1835.5832 1979.3285 125.9517 0.8039 -1118.0160 0.0000 0.0000 2749.7505 6245.8862 303.7176 3496.1357 6282.0838 301.1255 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: 5193.05, 0.00391322/step Wall: 5193.05, 0.00391322/step, 1.31941 hours remaining, 113.781250 MB of memory in use. ENERGY: 1286200 621.6954 1913.6521 1967.9748 122.3066 1.3752 -1058.3744 0.0000 0.0000 2716.8815 6285.5112 300.0871 3568.6297 6319.6746 303.1177 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: 5193.83, 0.00391299/step Wall: 5193.83, 0.00391299/step, 1.31911 hours remaining, 113.781250 MB of memory in use. ENERGY: 1286400 621.1185 1879.1217 1942.5784 116.0334 0.9165 -1034.3073 0.0000 0.0000 2717.9180 6243.3793 300.2016 3525.4612 6277.1864 303.4452 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: 5194.61, 0.00390896/step Wall: 5194.61, 0.00390896/step, 1.31754 hours remaining, 113.781250 MB of memory in use. ENERGY: 1286600 664.2502 1885.2910 1966.4156 101.8243 1.7461 -1069.4224 0.0000 0.0000 2733.1155 6283.2203 301.8802 3550.1048 6314.2495 301.2506 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: 5195.39, 0.00391424/step Wall: 5195.39, 0.00391424/step, 1.3191 hours remaining, 113.781250 MB of memory in use. ENERGY: 1286800 649.4589 1869.7243 1961.1367 111.2809 1.6229 -1067.0165 0.0000 0.0000 2800.2682 6326.4754 309.2974 3526.2072 6362.1624 304.8453 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: 5196.18, 0.00391183/step Wall: 5196.18, 0.00391183/step, 1.31807 hours remaining, 113.781250 MB of memory in use. ENERGY: 1287000 665.7545 1854.4679 1949.6891 100.3084 1.8192 -1035.2372 0.0000 0.0000 2779.2149 6316.0168 306.9720 3536.8019 6345.6273 306.2006 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: 5196.96, 0.00391392/step Wall: 5196.96, 0.00391392/step, 1.31855 hours remaining, 113.781250 MB of memory in use. ENERGY: 1287200 642.2301 1898.7653 1965.5882 98.3309 0.5864 -1083.6706 0.0000 0.0000 2746.2345 6268.0650 303.3293 3521.8304 6299.0355 303.9035 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: 5197.74, 0.00392057/step Wall: 5197.74, 0.00392057/step, 1.32058 hours remaining, 113.781250 MB of memory in use. ENERGY: 1287400 678.5954 1832.9427 1975.5026 103.8503 0.6451 -1061.5413 0.0000 0.0000 2755.8860 6285.8809 304.3953 3529.9949 6320.8279 304.1710 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: 5198.53, 0.00391702/step Wall: 5198.53, 0.00391702/step, 1.31916 hours remaining, 113.781250 MB of memory in use. ENERGY: 1287600 635.2847 1855.8813 1986.1513 108.9871 1.7918 -1063.9151 0.0000 0.0000 2705.2552 6229.4363 298.8030 3524.1810 6261.2896 302.2717 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: 5199.31, 0.00391352/step Wall: 5199.31, 0.00391352/step, 1.31777 hours remaining, 113.781250 MB of memory in use. ENERGY: 1287800 649.1453 1807.7325 1939.1900 116.4354 0.6867 -1053.3382 0.0000 0.0000 2746.5375 6206.3892 303.3627 3459.8517 6238.9027 300.1738 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: 5200.09, 0.00391368/step Wall: 5200.09, 0.00391368/step, 1.3176 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1288000 597.4758 1835.3669 1935.6402 115.0934 0.9659 -1068.5500 0.0000 0.0000 2760.2340 6176.2261 304.8755 3415.9921 6213.1601 300.1493 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: 5200.88, 0.00391522/step Wall: 5200.88, 0.00391522/step, 1.31791 hours remaining, 113.781250 MB of memory in use. ENERGY: 1288200 645.7539 1783.2757 1964.0308 117.2579 0.7639 -1106.0208 0.0000 0.0000 2780.7224 6185.7838 307.1385 3405.0614 6220.5296 298.9318 LDB: ============= START OF LOAD BALANCING ============== 5203.58 LDB: ============== END OF LOAD BALANCING =============== 5203.58 LDB: =============== DONE WITH MIGRATION ================ 5203.58 LDB: ============= START OF LOAD BALANCING ============== 5203.97 LDB: ============== END OF LOAD BALANCING =============== 5203.97 LDB: =============== DONE WITH MIGRATION ================ 5203.97 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: 5201.66, 0.0039123/step Wall: 5201.66, 0.0039123/step, 1.31671 hours remaining, 113.781250 MB of memory in use. ENERGY: 1288400 606.8634 1830.3166 2001.3269 120.2058 2.2802 -1104.4991 0.0000 0.0000 2749.4912 6205.9849 303.6890 3456.4937 6239.7381 299.6027 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: 5202.44, 0.00391364/step Wall: 5202.44, 0.00391364/step, 1.31694 hours remaining, 113.781250 MB of memory in use. ENERGY: 1288600 671.5426 1838.9348 1962.3499 115.1565 2.4565 -1122.6110 0.0000 0.0000 2721.6455 6189.4748 300.6133 3467.8293 6223.8621 298.2596 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: 5203.22, 0.00391372/step Wall: 5203.22, 0.00391372/step, 1.31675 hours remaining, 113.781250 MB of memory in use. ENERGY: 1288800 675.4413 1799.0390 1971.3751 116.7061 2.5583 -1096.5132 0.0000 0.0000 2722.4354 6191.0420 300.7006 3468.6066 6225.0079 300.7737 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: 5204.01, 0.00391358/step Wall: 5204.01, 0.00391358/step, 1.31648 hours remaining, 113.781250 MB of memory in use. ENERGY: 1289000 657.9046 1886.2754 1983.9143 107.1256 1.3675 -1117.5604 0.0000 0.0000 2718.2618 6237.2889 300.2396 3519.0271 6268.3749 301.0311 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: 5204.79, 0.0039138/step Wall: 5204.79, 0.0039138/step, 1.31634 hours remaining, 113.781250 MB of memory in use. ENERGY: 1289200 636.3896 1838.8393 1974.8443 111.4939 2.0314 -1131.4133 0.0000 0.0000 2736.3563 6168.5414 302.2382 3432.1852 6202.7845 299.0957 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: 5205.57, 0.00391031/step Wall: 5205.57, 0.00391031/step, 1.31495 hours remaining, 113.781250 MB of memory in use. ENERGY: 1289400 652.6346 1835.1881 1923.9706 111.6327 1.2112 -1084.5539 0.0000 0.0000 2750.5894 6190.6727 303.8103 3440.0833 6226.9253 299.1129 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: 5206.35, 0.00391563/step Wall: 5206.35, 0.00391563/step, 1.31652 hours remaining, 113.781250 MB of memory in use. ENERGY: 1289600 657.0041 1813.7025 1925.9431 109.8917 3.2404 -1069.4521 0.0000 0.0000 2713.1514 6153.4810 299.6751 3440.3296 6186.6005 296.4944 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: 5207.14, 0.0039138/step Wall: 5207.14, 0.00391379/step, 1.31569 hours remaining, 113.781250 MB of memory in use. ENERGY: 1289800 657.1818 1851.7685 1975.5223 115.8540 1.3143 -1108.7346 0.0000 0.0000 2695.5344 6188.4407 297.7293 3492.9063 6220.8996 297.3729 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: 5207.92, 0.00391436/step Wall: 5207.92, 0.00391437/step, 1.31566 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1290000 647.8201 1854.4783 1945.1883 120.4887 0.9521 -1062.4999 0.0000 0.0000 2686.8509 6193.2786 296.7702 3506.4277 6227.6065 299.2893 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1290000 WRITING COORDINATES TO DCD FILE MD.1.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: 5209.58, 0.00828053/step Wall: 5209.58, 0.00828053/step, 2.78272 hours remaining, 113.781250 MB of memory in use. ENERGY: 1290200 650.3196 1831.5219 1942.7479 109.8626 3.0868 -1053.4538 0.0000 0.0000 2735.0398 6219.1248 302.0928 3484.0850 6251.9588 300.5359 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: 5210.36, 0.0039148/step Wall: 5210.36, 0.0039148/step, 1.31537 hours remaining, 113.781250 MB of memory in use. ENERGY: 1290400 683.3370 1849.5244 1935.3072 115.3945 2.5025 -1104.8297 0.0000 0.0000 2679.5501 6160.7860 295.9638 3481.2359 6192.6461 300.3312 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: 5211.14, 0.00391435/step Wall: 5211.14, 0.00391435/step, 1.315 hours remaining, 113.781250 MB of memory in use. ENERGY: 1290600 689.6978 1852.1404 1936.1875 106.3246 0.7760 -1103.4520 0.0000 0.0000 2651.1329 6132.8072 292.8250 3481.6743 6165.4439 297.1470 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: 5211.92, 0.00391631/step Wall: 5211.92, 0.00391631/step, 1.31544 hours remaining, 113.781250 MB of memory in use. ENERGY: 1290800 629.1269 1832.9176 1927.8457 94.8822 2.5894 -1042.8929 0.0000 0.0000 2709.0686 6153.5374 299.2242 3444.4688 6185.3278 296.2598 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: 5212.71, 0.00390964/step Wall: 5212.71, 0.00390963/step, 1.31299 hours remaining, 113.781250 MB of memory in use. ENERGY: 1291000 657.2792 1824.6446 1946.0581 108.6758 -0.1172 -1082.1155 0.0000 0.0000 2683.3202 6137.7454 296.3802 3454.4251 6171.4232 297.9528 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: 5213.49, 0.00391448/step Wall: 5213.49, 0.00391449/step, 1.3144 hours remaining, 113.781250 MB of memory in use. ENERGY: 1291200 640.8543 1809.2493 1932.1418 110.9187 2.2088 -1081.1984 0.0000 0.0000 2688.3819 6102.5565 296.9393 3414.1746 6133.9074 294.8434 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: 5214.27, 0.00391385/step Wall: 5214.27, 0.00391385/step, 1.31397 hours remaining, 113.781250 MB of memory in use. ENERGY: 1291400 661.2958 1804.8759 1963.5858 102.6344 2.1496 -1090.2801 0.0000 0.0000 2676.2087 6120.4702 295.5947 3444.2615 6150.0744 294.7695 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: 5215.06, 0.00391445/step Wall: 5215.06, 0.00391445/step, 1.31395 hours remaining, 113.781250 MB of memory in use. ENERGY: 1291600 653.1547 1843.8193 1955.3280 105.9435 2.1841 -1088.3009 0.0000 0.0000 2694.1012 6166.2299 297.5710 3472.1286 6199.3892 298.1762 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: 5215.84, 0.0039159/step Wall: 5215.84, 0.0039159/step, 1.31422 hours remaining, 113.781250 MB of memory in use. ENERGY: 1291800 641.4926 1867.7470 1966.7503 103.4691 3.4517 -1094.1358 0.0000 0.0000 2686.8911 6175.6659 296.7746 3488.7749 6208.1761 298.5286 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: 5216.62, 0.00390862/step Wall: 5216.62, 0.00390862/step, 1.31156 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1292000 610.7936 1917.3122 1953.1613 106.8627 2.1429 -1087.2729 0.0000 0.0000 2722.8791 6225.8790 300.7496 3502.9998 6259.4695 299.3519 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: 5217.4, 0.00391273/step Wall: 5217.4, 0.00391273/step, 1.31272 hours remaining, 113.781250 MB of memory in use. ENERGY: 1292200 629.2020 1845.5194 1968.3406 104.1602 2.2733 -1060.2851 0.0000 0.0000 2721.2954 6210.5058 300.5747 3489.2103 6245.9017 300.5749 LDB: ============= START OF LOAD BALANCING ============== 5220.1 LDB: ============== END OF LOAD BALANCING =============== 5220.1 LDB: =============== DONE WITH MIGRATION ================ 5220.1 LDB: ============= START OF LOAD BALANCING ============== 5220.5 LDB: ============== END OF LOAD BALANCING =============== 5220.5 LDB: =============== DONE WITH MIGRATION ================ 5220.5 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: 5218.19, 0.00391864/step Wall: 5218.19, 0.00391864/step, 1.31449 hours remaining, 113.781250 MB of memory in use. ENERGY: 1292400 650.8635 1874.0980 1941.0877 104.4790 0.8783 -1081.8958 0.0000 0.0000 2687.4541 6176.9649 296.8368 3489.5108 6211.1451 298.0266 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: 5218.97, 0.00391469/step Wall: 5218.97, 0.00391469/step, 1.31295 hours remaining, 113.781250 MB of memory in use. ENERGY: 1292600 653.7913 1803.8483 1971.4079 100.8222 1.4056 -1096.4492 0.0000 0.0000 2685.1227 6119.9487 296.5793 3434.8260 6153.7931 296.4852 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: 5219.75, 0.00390833/step Wall: 5219.75, 0.00390833/step, 1.31059 hours remaining, 113.781250 MB of memory in use. ENERGY: 1292800 642.2768 1774.2464 1950.3284 111.4451 0.4241 -1061.2576 0.0000 0.0000 2714.1806 6131.6439 299.7888 3417.4632 6165.4991 294.8162 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: 5220.53, 0.00391407/step Wall: 5220.53, 0.00391407/step, 1.3123 hours remaining, 113.781250 MB of memory in use. ENERGY: 1293000 666.6555 1867.2982 1950.6773 93.4869 1.4123 -1114.5623 0.0000 0.0000 2687.3594 6152.3272 296.8263 3464.9678 6184.1862 295.9443 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: 5221.32, 0.00391333/step Wall: 5221.32, 0.00391333/step, 1.31184 hours remaining, 113.781250 MB of memory in use. ENERGY: 1293200 661.3377 1844.8610 1948.9037 100.4801 1.1043 -1087.4961 0.0000 0.0000 2678.5737 6147.7644 295.8559 3469.1907 6178.1618 296.2644 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: 5222.1, 0.00391194/step Wall: 5222.1, 0.00391194/step, 1.31115 hours remaining, 113.781250 MB of memory in use. ENERGY: 1293400 698.2096 1830.3043 1978.8960 109.0241 1.8468 -1106.2188 0.0000 0.0000 2656.1937 6168.2556 293.3840 3512.0620 6202.1987 298.0413 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: 5222.88, 0.00391315/step Wall: 5222.88, 0.00391315/step, 1.31134 hours remaining, 113.781250 MB of memory in use. ENERGY: 1293600 655.5702 1846.0894 1970.7381 112.4556 2.0611 -1109.4840 0.0000 0.0000 2724.7426 6202.1731 300.9554 3477.4305 6235.6872 299.9235 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: 5223.66, 0.00390997/step Wall: 5223.66, 0.00390997/step, 1.31006 hours remaining, 113.781250 MB of memory in use. ENERGY: 1293800 631.6247 1857.2486 1970.2585 106.9555 1.6137 -1058.4011 0.0000 0.0000 2726.2218 6235.5216 301.1188 3509.2998 6265.9162 301.3870 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: 5224.45, 0.00391511/step Wall: 5224.45, 0.00391511/step, 1.31156 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1294000 653.8327 1862.6905 1941.2981 111.0904 1.6135 -1067.5296 0.0000 0.0000 2691.0280 6194.0236 297.2315 3502.9956 6227.9437 300.0507 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: 5225.23, 0.00391295/step Wall: 5225.23, 0.00391295/step, 1.31062 hours remaining, 113.781250 MB of memory in use. ENERGY: 1294200 634.1234 1872.6278 1956.0307 103.0551 2.5810 -1070.1187 0.0000 0.0000 2687.4255 6185.7248 296.8336 3498.2993 6216.2605 300.5883 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: 5226.01, 0.0039144/step Wall: 5226.01, 0.0039144/step, 1.31089 hours remaining, 113.781250 MB of memory in use. ENERGY: 1294400 664.0985 1879.2297 1963.0790 100.0198 2.8500 -1097.6393 0.0000 0.0000 2638.6045 6150.2423 291.4412 3511.6378 6181.2213 297.5349 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: 5226.79, 0.00391453/step Wall: 5226.79, 0.00391453/step, 1.31072 hours remaining, 113.781250 MB of memory in use. ENERGY: 1294600 654.0784 1822.1507 1980.6134 108.8098 1.8941 -1064.0181 0.0000 0.0000 2651.3103 6154.8385 292.8446 3503.5283 6186.6690 297.1141 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: 5227.58, 0.00392081/step Wall: 5227.58, 0.00392081/step, 1.3126 hours remaining, 113.781250 MB of memory in use. ENERGY: 1294800 674.2539 1850.3497 1963.4315 120.2547 0.5777 -1088.6487 0.0000 0.0000 2595.4252 6115.6440 286.6719 3520.2188 6146.0933 294.3872 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: 5228.36, 0.00391905/step Wall: 5228.36, 0.00391905/step, 1.31179 hours remaining, 113.781250 MB of memory in use. ENERGY: 1295000 669.0740 1841.7414 1948.9641 106.5756 1.2758 -1063.3539 0.0000 0.0000 2678.4392 6182.7162 295.8411 3504.2769 6216.2295 295.2706 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: 5229.15, 0.00391765/step Wall: 5229.15, 0.00391765/step, 1.31111 hours remaining, 113.781250 MB of memory in use. ENERGY: 1295200 626.7395 1886.0597 1938.3447 108.2986 0.5671 -1034.0372 0.0000 0.0000 2641.7822 6167.7547 291.7922 3525.9725 6196.4445 296.7192 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: 5229.93, 0.00391532/step Wall: 5229.93, 0.00391532/step, 1.31011 hours remaining, 113.781250 MB of memory in use. ENERGY: 1295400 643.2785 1839.2809 1944.0131 103.3103 0.7601 -1060.8419 0.0000 0.0000 2661.9430 6131.7439 294.0190 3469.8009 6166.5309 295.3990 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: 5230.71, 0.00390844/step Wall: 5230.71, 0.00390844/step, 1.30759 hours remaining, 113.781250 MB of memory in use. ENERGY: 1295600 669.8026 1843.7858 1948.9947 113.7553 0.7843 -1091.5243 0.0000 0.0000 2714.6033 6200.2017 299.8355 3485.5984 6230.8383 298.2459 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: 5231.49, 0.00391249/step Wall: 5231.49, 0.00391249/step, 1.30873 hours remaining, 113.781250 MB of memory in use. ENERGY: 1295800 642.3780 1819.9575 1918.1546 106.8590 0.3695 -1070.6104 0.0000 0.0000 2745.1849 6162.2931 303.2133 3417.1082 6193.3607 299.6723 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: 5232.28, 0.00391353/step Wall: 5232.28, 0.00391353/step, 1.30886 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1296000 633.5963 1776.7750 1922.2939 107.9185 0.8225 -993.5653 0.0000 0.0000 2715.2696 6163.1106 299.9091 3447.8410 6197.6578 297.3515 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: 5233.06, 0.00391307/step Wall: 5233.06, 0.00391307/step, 1.30849 hours remaining, 113.781250 MB of memory in use. ENERGY: 1296200 673.0766 1798.0322 1968.2445 110.9518 2.0427 -1049.5028 0.0000 0.0000 2676.1745 6179.0195 295.5909 3502.8451 6213.0684 299.1244 LDB: ============= START OF LOAD BALANCING ============== 5235.76 LDB: ============== END OF LOAD BALANCING =============== 5235.76 LDB: =============== DONE WITH MIGRATION ================ 5235.76 LDB: ============= START OF LOAD BALANCING ============== 5236.15 LDB: ============== END OF LOAD BALANCING =============== 5236.15 LDB: =============== DONE WITH MIGRATION ================ 5236.15 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: 5233.84, 0.00391846/step Wall: 5233.84, 0.00391846/step, 1.31007 hours remaining, 113.781250 MB of memory in use. ENERGY: 1296400 647.1952 1798.6192 1921.1925 109.8771 1.0932 -1068.4145 0.0000 0.0000 2744.4779 6154.0406 303.1352 3409.5627 6191.8668 296.4781 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: 5234.62, 0.00391047/step Wall: 5234.62, 0.00391047/step, 1.30718 hours remaining, 113.781250 MB of memory in use. ENERGY: 1296600 662.1656 1844.5844 1953.8941 111.8801 1.4654 -1102.3420 0.0000 0.0000 2663.2826 6134.9302 294.1670 3471.6476 6166.0876 297.0346 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: 5235.41, 0.00391586/step Wall: 5235.41, 0.00391586/step, 1.30877 hours remaining, 113.781250 MB of memory in use. ENERGY: 1296800 673.7478 1816.4250 1934.6852 107.2239 1.3286 -1080.5839 0.0000 0.0000 2707.2696 6160.0963 299.0255 3452.8267 6192.8619 295.7662 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: 5236.19, 0.00391593/step Wall: 5236.19, 0.00391593/step, 1.30857 hours remaining, 113.781250 MB of memory in use. ENERGY: 1297000 679.2912 1860.2401 1915.5221 111.1162 2.2051 -1068.0455 0.0000 0.0000 2715.4493 6215.7784 299.9289 3500.3291 6245.6469 297.8619 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: 5236.97, 0.00391474/step Wall: 5236.97, 0.00391474/step, 1.30796 hours remaining, 113.781250 MB of memory in use. ENERGY: 1297200 666.5643 1905.9114 1925.6409 99.2105 2.9234 -1072.2027 0.0000 0.0000 2738.4191 6266.4668 302.4660 3528.0478 6301.6534 303.1393 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: 5237.76, 0.00390882/step Wall: 5237.76, 0.00390882/step, 1.30576 hours remaining, 113.781250 MB of memory in use. ENERGY: 1297400 676.0764 1862.0556 1952.4048 101.9470 1.4277 -1109.7458 0.0000 0.0000 2797.7813 6281.9470 309.0227 3484.1658 6317.1973 304.3226 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: 5238.54, 0.0039222/step Wall: 5238.54, 0.0039222/step, 1.31001 hours remaining, 113.781250 MB of memory in use. ENERGY: 1297600 665.8262 1889.7791 1954.6282 103.2280 1.7615 -1061.1901 0.0000 0.0000 2733.1258 6287.1587 301.8814 3554.0329 6319.1700 303.3134 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: 5239.32, 0.00391276/step Wall: 5239.32, 0.00391276/step, 1.30665 hours remaining, 113.781250 MB of memory in use. ENERGY: 1297800 678.1576 1884.6448 1946.8363 103.0873 1.5448 -1057.1225 0.0000 0.0000 2725.9734 6283.1219 301.0914 3557.1485 6318.4594 303.5026 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: 5240.11, 0.0039133/step Wall: 5240.11, 0.0039133/step, 1.30661 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1298000 691.8163 1890.6456 1914.7065 111.3609 1.1473 -1106.0477 0.0000 0.0000 2768.5821 6272.2110 305.7976 3503.6289 6305.7499 304.2126 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: 5240.89, 0.00391524/step Wall: 5240.89, 0.00391525/step, 1.30704 hours remaining, 113.781250 MB of memory in use. ENERGY: 1298200 662.5607 1895.8433 1936.8713 107.1876 2.2289 -1086.3381 0.0000 0.0000 2732.0431 6250.3968 301.7618 3518.3537 6281.8144 302.8076 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: 5241.67, 0.00390865/step Wall: 5241.67, 0.00390865/step, 1.30462 hours remaining, 113.781250 MB of memory in use. ENERGY: 1298400 652.9597 1909.7158 1944.8488 94.4575 2.4773 -1066.6100 0.0000 0.0000 2721.4592 6259.3083 300.5928 3537.8491 6292.1476 301.8777 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: 5242.45, 0.003915/step Wall: 5242.45, 0.003915/step, 1.30652 hours remaining, 113.781250 MB of memory in use. ENERGY: 1298600 618.1226 1841.3021 1972.4381 108.3095 2.6856 -1041.3823 0.0000 0.0000 2751.3159 6252.7913 303.8905 3501.4755 6285.3172 302.3192 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: 5243.24, 0.0039147/step Wall: 5243.24, 0.0039147/step, 1.30621 hours remaining, 113.781250 MB of memory in use. ENERGY: 1298800 653.2563 1814.2526 1966.2179 112.5525 1.8928 -1049.1630 0.0000 0.0000 2764.0673 6263.0765 305.2989 3499.0091 6298.0120 301.6747 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: 5244.02, 0.00391431/step Wall: 5244.02, 0.00391431/step, 1.30586 hours remaining, 113.781250 MB of memory in use. ENERGY: 1299000 668.9962 1873.0463 1964.8952 111.9342 3.0048 -1051.8485 0.0000 0.0000 2695.2624 6265.2905 297.6992 3570.0281 6299.1711 303.1421 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: 5244.8, 0.00390862/step Wall: 5244.8, 0.00390862/step, 1.30374 hours remaining, 113.781250 MB of memory in use. ENERGY: 1299200 666.6400 1850.9681 1956.1831 114.0984 2.0556 -1076.3791 0.0000 0.0000 2718.1675 6231.7335 300.2292 3513.5661 6263.5594 300.3904 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: 5245.58, 0.0039148/step Wall: 5245.58, 0.0039148/step, 1.30559 hours remaining, 113.781250 MB of memory in use. ENERGY: 1299400 633.1049 1863.6184 1955.0955 115.5030 2.0150 -1064.5116 0.0000 0.0000 2729.7592 6234.5844 301.5095 3504.8252 6269.2582 301.6670 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: 5246.37, 0.00391514/step Wall: 5246.37, 0.00391514/step, 1.30548 hours remaining, 113.781250 MB of memory in use. ENERGY: 1299600 658.6025 1844.6170 1979.8033 110.7602 1.6487 -1081.3549 0.0000 0.0000 2713.0912 6227.1679 299.6685 3514.0767 6258.8208 301.3512 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: 5247.15, 0.00391523/step Wall: 5247.15, 0.00391523/step, 1.30529 hours remaining, 113.781250 MB of memory in use. ENERGY: 1299800 690.9710 1854.5855 1962.1053 112.3635 1.2505 -1063.7407 0.0000 0.0000 2696.0361 6253.5711 297.7847 3557.5351 6283.9901 301.2839 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: 5247.93, 0.00391802/step Wall: 5247.93, 0.00391802/step, 1.30601 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1300000 655.4218 1869.9196 1958.8840 104.0254 2.3798 -1089.5275 0.0000 0.0000 2699.0890 6200.1920 298.1219 3501.1030 6235.7426 300.3787 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1300000 WRITING COORDINATES TO DCD FILE MD.1.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: 5252.38, 0.0222434/step Wall: 5252.38, 0.0222434/step, 7.41323 hours remaining, 113.781250 MB of memory in use. ENERGY: 1300200 648.0799 1841.7707 1951.2795 105.1343 1.3146 -1048.3663 0.0000 0.0000 2703.5726 6202.7854 298.6171 3499.2128 6237.8301 299.6930 LDB: ============= START OF LOAD BALANCING ============== 5255.08 LDB: ============== END OF LOAD BALANCING =============== 5255.08 LDB: =============== DONE WITH MIGRATION ================ 5255.08 LDB: ============= START OF LOAD BALANCING ============== 5255.48 LDB: ============== END OF LOAD BALANCING =============== 5255.48 LDB: =============== DONE WITH MIGRATION ================ 5255.48 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: 5253.17, 0.00392122/step Wall: 5253.17, 0.00392122/step, 1.30664 hours remaining, 113.781250 MB of memory in use. ENERGY: 1300400 656.1421 1832.8882 1937.7530 101.5776 0.9937 -1057.4188 0.0000 0.0000 2711.5318 6183.4675 299.4962 3471.9357 6214.6061 296.4609 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: 5253.95, 0.00391566/step Wall: 5253.95, 0.00391566/step, 1.30457 hours remaining, 113.781250 MB of memory in use. ENERGY: 1300600 639.7482 1838.7798 1953.0325 105.4542 0.8733 -1051.1725 0.0000 0.0000 2704.2040 6190.9197 298.6869 3486.7157 6223.6140 297.9187 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: 5254.73, 0.00391018/step Wall: 5254.73, 0.00391018/step, 1.30252 hours remaining, 113.781250 MB of memory in use. ENERGY: 1300800 680.9325 1828.1883 1981.1990 112.3007 0.0766 -1099.0692 0.0000 0.0000 2693.0788 6196.7067 297.4581 3503.6279 6228.9010 297.2102 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: 5255.51, 0.00391582/step Wall: 5255.51, 0.00391582/step, 1.30419 hours remaining, 113.781250 MB of memory in use. ENERGY: 1301000 688.4897 1830.3936 1919.9556 105.6598 1.3415 -1082.5310 0.0000 0.0000 2709.1066 6172.4158 299.2284 3463.3092 6203.5010 297.4504 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: 5256.3, 0.00391678/step Wall: 5256.3, 0.00391678/step, 1.30429 hours remaining, 113.781250 MB of memory in use. ENERGY: 1301200 668.8729 1832.4928 1949.6528 90.3791 1.7147 -1108.9976 0.0000 0.0000 2755.2761 6189.3908 304.3279 3434.1147 6224.4457 298.6983 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: 5257.08, 0.00391646/step Wall: 5257.08, 0.00391646/step, 1.30396 hours remaining, 113.781250 MB of memory in use. ENERGY: 1301400 691.5836 1857.7886 1937.9869 103.0408 1.4753 -1058.0034 0.0000 0.0000 2680.0453 6213.9171 296.0185 3533.8717 6243.3942 299.4004 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: 5257.86, 0.00391697/step Wall: 5257.86, 0.00391697/step, 1.30392 hours remaining, 113.781250 MB of memory in use. ENERGY: 1301600 673.7057 1851.4594 1950.5042 114.5278 1.0962 -1069.8486 0.0000 0.0000 2672.8036 6194.2483 295.2186 3521.4446 6226.2850 299.4707 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: 5258.65, 0.00390985/step Wall: 5258.65, 0.00390985/step, 1.30133 hours remaining, 113.781250 MB of memory in use. ENERGY: 1301800 620.5836 1838.4579 1953.3801 102.3310 2.7100 -1045.0118 0.0000 0.0000 2714.9179 6187.3687 299.8702 3472.4508 6221.5024 298.0933 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: 5259.43, 0.00391545/step Wall: 5259.43, 0.00391545/step, 1.30297 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1302000 648.9421 1827.0206 1974.8394 114.2541 1.1637 -1052.4124 0.0000 0.0000 2657.6705 6171.4780 293.5471 3513.8075 6202.6941 297.2605 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: 5260.21, 0.0039148/step Wall: 5260.21, 0.0039148/step, 1.30254 hours remaining, 113.781250 MB of memory in use. ENERGY: 1302200 652.5000 1841.3756 1973.1216 108.2527 1.3649 -1074.8249 0.0000 0.0000 2653.0072 6154.7971 293.0320 3501.7899 6186.0330 297.4312 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: 5261, 0.00391608/step Wall: 5261, 0.00391608/step, 1.30275 hours remaining, 113.781250 MB of memory in use. ENERGY: 1302400 660.4307 1809.1045 1941.0556 109.2733 1.5063 -1072.5661 0.0000 0.0000 2708.3275 6157.1319 299.1423 3448.8043 6191.0275 296.1139 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: 5261.78, 0.0039081/step Wall: 5261.78, 0.0039081/step, 1.29988 hours remaining, 113.781250 MB of memory in use. ENERGY: 1302600 628.1688 1903.9837 1948.3453 109.8893 0.9995 -1109.3960 0.0000 0.0000 2667.2388 6149.2294 294.6040 3481.9906 6183.2214 293.5085 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: 5262.56, 0.00391563/step Wall: 5262.56, 0.00391563/step, 1.30216 hours remaining, 113.781250 MB of memory in use. ENERGY: 1302800 639.8166 1858.6053 1937.4461 102.2613 1.0668 -1058.0324 0.0000 0.0000 2692.9569 6174.1206 297.4446 3481.1637 6208.5109 296.8379 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: 5263.34, 0.0039162/step Wall: 5263.34, 0.0039162/step, 1.30214 hours remaining, 113.781250 MB of memory in use. ENERGY: 1303000 606.9176 1892.0328 1967.7771 105.4009 2.3607 -1099.9643 0.0000 0.0000 2715.5565 6190.0813 299.9408 3474.5248 6224.2131 297.9786 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: 5264.13, 0.00391317/step Wall: 5264.13, 0.00391316/step, 1.30091 hours remaining, 113.781250 MB of memory in use. ENERGY: 1303200 687.1053 1824.5385 1971.0346 115.8130 1.3001 -1090.1116 0.0000 0.0000 2687.9933 6197.6733 296.8963 3509.6800 6229.2706 299.2752 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: 5264.91, 0.00391561/step Wall: 5264.91, 0.00391561/step, 1.30151 hours remaining, 113.781250 MB of memory in use. ENERGY: 1303400 673.7298 1820.4882 1950.6480 96.2745 0.9071 -1083.2598 0.0000 0.0000 2700.8067 6159.5944 298.3116 3458.7877 6193.7283 298.2847 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: 5265.69, 0.00390795/step Wall: 5265.69, 0.00390795/step, 1.29874 hours remaining, 113.781250 MB of memory in use. ENERGY: 1303600 622.9937 1856.5746 1935.1489 120.0543 2.2380 -1079.2009 0.0000 0.0000 2743.0713 6200.8799 302.9799 3457.8086 6236.2034 299.4353 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: 5266.47, 0.00391426/step Wall: 5266.47, 0.00391426/step, 1.30062 hours remaining, 113.781250 MB of memory in use. ENERGY: 1303800 664.0460 1808.4407 1981.9909 115.8555 0.8196 -1102.5371 0.0000 0.0000 2707.6892 6176.3048 299.0718 3468.6156 6208.3952 298.7144 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: 5267.26, 0.00391338/step Wall: 5267.26, 0.00391338/step, 1.30011 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1304000 630.1806 1878.3764 1951.3742 99.6373 1.5208 -1065.5791 0.0000 0.0000 2660.4907 6156.0009 293.8586 3495.5102 6186.2211 296.6010 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: 5268.04, 0.00391491/step Wall: 5268.04, 0.00391491/step, 1.3004 hours remaining, 113.781250 MB of memory in use. ENERGY: 1304200 641.0291 1832.1986 1946.8753 115.7412 1.7229 -1050.2759 0.0000 0.0000 2665.4419 6152.7331 294.4055 3487.2912 6186.0499 297.0803 LDB: ============= START OF LOAD BALANCING ============== 5270.74 LDB: ============== END OF LOAD BALANCING =============== 5270.74 LDB: =============== DONE WITH MIGRATION ================ 5270.74 LDB: ============= START OF LOAD BALANCING ============== 5271.13 LDB: ============== END OF LOAD BALANCING =============== 5271.13 LDB: =============== DONE WITH MIGRATION ================ 5271.13 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: 5268.82, 0.00391349/step Wall: 5268.82, 0.00391349/step, 1.29971 hours remaining, 113.781250 MB of memory in use. ENERGY: 1304400 609.1165 1812.8825 1932.2380 120.8912 2.5072 -1066.1083 0.0000 0.0000 2743.1679 6154.6950 302.9905 3411.5271 6187.9217 296.8535 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: 5269.61, 0.00391425/step Wall: 5269.61, 0.00391425/step, 1.29975 hours remaining, 113.781250 MB of memory in use. ENERGY: 1304600 657.5408 1814.6293 1936.4200 118.1522 0.7118 -1041.7942 0.0000 0.0000 2624.7734 6110.4334 289.9135 3485.6600 6143.1594 295.3013 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: 5270.39, 0.0039146/step Wall: 5270.39, 0.0039146/step, 1.29965 hours remaining, 113.781250 MB of memory in use. ENERGY: 1304800 639.9975 1816.6671 1931.3919 105.7266 1.5893 -1080.7096 0.0000 0.0000 2665.5603 6080.2231 294.4186 3414.6628 6112.5648 294.2629 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: 5271.17, 0.00391418/step Wall: 5271.17, 0.00391417/step, 1.29929 hours remaining, 113.781250 MB of memory in use. ENERGY: 1305000 678.7095 1905.7734 1937.1620 107.5240 0.8516 -1102.1673 0.0000 0.0000 2637.9085 6165.7617 291.3643 3527.8531 6194.7312 294.9979 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: 5271.95, 0.00391487/step Wall: 5271.95, 0.00391488/step, 1.2993 hours remaining, 113.781250 MB of memory in use. ENERGY: 1305200 637.7908 1816.5064 1950.5992 104.4959 1.7847 -1042.7538 0.0000 0.0000 2666.6661 6135.0892 294.5407 3468.4232 6170.1925 296.1357 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: 5272.74, 0.00390893/step Wall: 5272.74, 0.00390893/step, 1.29711 hours remaining, 113.781250 MB of memory in use. ENERGY: 1305400 657.8689 1902.4817 1929.7164 105.3281 1.7630 -1084.2429 0.0000 0.0000 2679.9471 6192.8622 296.0076 3512.9151 6223.8112 296.6297 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: 5273.52, 0.00391626/step Wall: 5273.52, 0.00391626/step, 1.29933 hours remaining, 113.781250 MB of memory in use. ENERGY: 1305600 640.1678 1817.8996 1942.9007 103.6595 -1.1085 -1064.4542 0.0000 0.0000 2717.7410 6156.8059 300.1821 3439.0649 6189.5950 297.3969 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: 5274.3, 0.00391549/step Wall: 5274.3, 0.0039155/step, 1.29886 hours remaining, 113.781250 MB of memory in use. ENERGY: 1305800 636.9436 1859.6487 1923.4916 93.3606 1.3083 -1059.9274 0.0000 0.0000 2722.1407 6176.9660 300.6680 3454.8253 6213.9269 298.1450 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: 5275.09, 0.00391523/step Wall: 5275.09, 0.00391523/step, 1.29855 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1306000 645.1358 1829.7041 1962.9386 105.2634 0.6886 -1045.0149 0.0000 0.0000 2677.9432 6176.6588 295.7863 3498.7156 6207.5684 297.4100 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: 5275.87, 0.00390859/step Wall: 5275.87, 0.00390859/step, 1.29613 hours remaining, 113.781250 MB of memory in use. ENERGY: 1306200 647.1126 1837.0906 1921.3333 100.0309 1.9512 -1032.9728 0.0000 0.0000 2685.3158 6159.8616 296.6006 3474.5458 6193.2818 297.6747 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: 5276.65, 0.00391533/step Wall: 5276.65, 0.00391533/step, 1.29815 hours remaining, 113.781250 MB of memory in use. ENERGY: 1306400 621.9959 1823.1431 1931.7149 109.3899 2.3688 -1041.6513 0.0000 0.0000 2719.8312 6166.7925 300.4129 3446.9613 6201.7378 296.0073 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: 5277.43, 0.00391469/step Wall: 5277.43, 0.00391469/step, 1.29772 hours remaining, 113.781250 MB of memory in use. ENERGY: 1306600 605.6358 1800.7074 1945.0387 120.2021 2.7979 -1028.9459 0.0000 0.0000 2741.1997 6186.6357 302.7731 3445.4361 6220.3829 297.3658 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: 5278.22, 0.00392124/step Wall: 5278.22, 0.00392124/step, 1.29967 hours remaining, 113.781250 MB of memory in use. ENERGY: 1306800 673.0453 1801.5454 1966.3352 108.3760 2.0176 -1064.9597 0.0000 0.0000 2692.6955 6179.0553 297.4157 3486.3598 6212.6777 297.5792 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: 5279, 0.0039205/step Wall: 5279, 0.0039205/step, 1.29921 hours remaining, 113.781250 MB of memory in use. ENERGY: 1307000 647.2315 1809.9802 1955.5024 98.8855 1.5483 -1040.2896 0.0000 0.0000 2718.9979 6191.8562 300.3209 3472.8583 6225.3705 295.7710 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: 5279.78, 0.0039107/step Wall: 5279.78, 0.0039107/step, 1.29575 hours remaining, 113.781250 MB of memory in use. ENERGY: 1307200 652.1951 1810.7809 1939.9710 95.3770 2.1149 -1035.1173 0.0000 0.0000 2705.0887 6170.4104 298.7846 3465.3217 6204.4202 296.5628 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: 5280.57, 0.00391783/step Wall: 5280.57, 0.00391783/step, 1.29789 hours remaining, 113.781250 MB of memory in use. ENERGY: 1307400 632.0127 1784.4564 1949.8197 105.6863 2.3344 -1079.4949 0.0000 0.0000 2768.9356 6163.7503 305.8367 3394.8146 6199.2407 295.8017 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: 5281.35, 0.00391656/step Wall: 5281.35, 0.00391656/step, 1.29725 hours remaining, 113.781250 MB of memory in use. ENERGY: 1307600 641.7372 1785.4374 1952.6149 107.6214 2.4519 -1026.2006 0.0000 0.0000 2666.5450 6130.2071 294.5273 3463.6622 6164.0057 294.9736 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: 5282.13, 0.00391543/step Wall: 5282.13, 0.00391543/step, 1.29666 hours remaining, 113.781250 MB of memory in use. ENERGY: 1307800 669.6817 1826.1749 1922.8474 103.7822 1.4247 -1027.8103 0.0000 0.0000 2663.3388 6159.4393 294.1732 3496.1005 6189.9181 295.4334 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: 5282.92, 0.00391669/step Wall: 5282.92, 0.00391668/step, 1.29686 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1308000 639.8834 1859.4485 1957.0302 109.6726 0.9153 -1087.2003 0.0000 0.0000 2701.9422 6181.6918 298.4370 3479.7496 6216.8506 296.4199 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: 5283.7, 0.00391195/step Wall: 5283.7, 0.00391196/step, 1.29507 hours remaining, 113.781250 MB of memory in use. ENERGY: 1308200 651.6653 1846.9929 1942.6060 105.6883 1.1801 -1071.8007 0.0000 0.0000 2729.2533 6205.5852 301.4536 3476.3319 6238.3502 298.8431 LDB: ============= START OF LOAD BALANCING ============== 5286.4 LDB: ============== END OF LOAD BALANCING =============== 5286.4 LDB: =============== DONE WITH MIGRATION ================ 5286.4 LDB: ============= START OF LOAD BALANCING ============== 5286.79 LDB: ============== END OF LOAD BALANCING =============== 5286.79 LDB: =============== DONE WITH MIGRATION ================ 5286.79 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: 5284.48, 0.00392272/step Wall: 5284.48, 0.00392272/step, 1.29842 hours remaining, 113.781250 MB of memory in use. ENERGY: 1308400 643.5753 1878.2688 1923.5188 115.6835 0.5485 -1097.6128 0.0000 0.0000 2722.3534 6186.3354 300.6915 3463.9820 6221.3610 298.7241 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: 5285.27, 0.00391693/step Wall: 5285.27, 0.00391693/step, 1.29629 hours remaining, 113.781250 MB of memory in use. ENERGY: 1308600 673.6895 1833.7238 1921.4936 110.8986 0.4323 -1092.7891 0.0000 0.0000 2707.0141 6154.4627 298.9972 3447.4486 6188.8736 297.4847 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: 5286.05, 0.00391927/step Wall: 5286.05, 0.00391927/step, 1.29684 hours remaining, 113.781250 MB of memory in use. ENERGY: 1308800 682.3698 1822.2143 1937.0014 103.5736 -0.2295 -1081.3443 0.0000 0.0000 2684.8877 6148.4730 296.5533 3463.5853 6181.4152 296.7393 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: 5286.83, 0.00391186/step Wall: 5286.83, 0.00391186/step, 1.29418 hours remaining, 113.781250 MB of memory in use. ENERGY: 1309000 652.9258 1838.4890 1930.8502 106.2560 1.2471 -1075.8671 0.0000 0.0000 2692.0740 6145.9750 297.3471 3453.9010 6177.5761 295.8855 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: 5287.62, 0.00393628/step Wall: 5287.62, 0.00393628/step, 1.30203 hours remaining, 113.781250 MB of memory in use. ENERGY: 1309200 661.3616 1798.8252 1952.2292 105.8469 1.4325 -1087.0572 0.0000 0.0000 2706.5661 6139.2043 298.9478 3432.6382 6172.6634 294.5335 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: 5288.4, 0.00392072/step Wall: 5288.4, 0.00392072/step, 1.29667 hours remaining, 113.781250 MB of memory in use. ENERGY: 1309400 660.4432 1807.8116 1922.5041 125.4601 1.4075 -1047.3186 0.0000 0.0000 2671.8647 6142.1726 295.1149 3470.3078 6175.9541 293.8871 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: 5289.19, 0.00392138/step Wall: 5289.19, 0.00392138/step, 1.29667 hours remaining, 113.781250 MB of memory in use. ENERGY: 1309600 670.9149 1843.7805 1958.5290 118.3427 3.1444 -1074.0716 0.0000 0.0000 2636.5139 6157.1538 291.2103 3520.6399 6189.6240 295.9648 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: 5289.97, 0.00391576/step Wall: 5289.97, 0.00391576/step, 1.29459 hours remaining, 113.781250 MB of memory in use. ENERGY: 1309800 690.1281 1787.2652 1983.6321 101.1091 2.6822 -1084.9335 0.0000 0.0000 2696.9068 6176.7901 297.8809 3479.8833 6211.1950 296.9229 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: 5290.75, 0.00391015/step Wall: 5290.75, 0.00391015/step, 1.29252 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1310000 668.0349 1851.6753 1929.5179 107.0044 1.5620 -1065.2925 0.0000 0.0000 2653.1071 6145.6091 293.0431 3492.5020 6175.5691 298.5026 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1310000 WRITING COORDINATES TO DCD FILE MD.1.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: 5291.57, 0.00408645/step Wall: 5291.57, 0.00408645/step, 1.35057 hours remaining, 113.781250 MB of memory in use. ENERGY: 1310200 639.0016 1826.1377 1945.6037 104.4790 1.3049 -1026.5369 0.0000 0.0000 2676.1839 6166.1739 295.5920 3489.9900 6194.4930 295.3681 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: 5292.35, 0.00391777/step Wall: 5292.35, 0.00391777/step, 1.29461 hours remaining, 113.781250 MB of memory in use. ENERGY: 1310400 652.0950 1835.2639 1942.4906 116.8473 0.6782 -1042.5251 0.0000 0.0000 2709.3024 6214.1522 299.2500 3504.8498 6247.0779 296.4887 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: 5293.14, 0.0039171/step Wall: 5293.14, 0.0039171/step, 1.29417 hours remaining, 113.781250 MB of memory in use. ENERGY: 1310600 620.4490 1871.8794 1939.3725 115.8804 1.2482 -1029.0402 0.0000 0.0000 2665.3444 6185.1338 294.3947 3519.7893 6216.6015 297.7946 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: 5293.92, 0.00391121/step Wall: 5293.92, 0.00391121/step, 1.292 hours remaining, 113.781250 MB of memory in use. ENERGY: 1310800 638.5841 1852.6204 1924.1592 112.6598 0.8776 -1048.1326 0.0000 0.0000 2713.7473 6194.5157 299.7409 3480.7684 6224.4586 298.1916 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: 5294.7, 0.00391703/step Wall: 5294.7, 0.00391703/step, 1.29371 hours remaining, 113.781250 MB of memory in use. ENERGY: 1311000 642.9795 1884.1596 1958.6453 102.0284 0.6263 -1082.6202 0.0000 0.0000 2706.7109 6212.5298 298.9638 3505.8189 6247.6059 299.9959 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: 5295.49, 0.00391585/step Wall: 5295.49, 0.00391585/step, 1.2931 hours remaining, 113.781250 MB of memory in use. ENERGY: 1311200 664.3471 1806.7231 1938.9981 113.3913 0.7120 -1075.0611 0.0000 0.0000 2746.5657 6195.6762 303.3658 3449.1105 6228.6813 298.4721 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: 5296.27, 0.00391582/step Wall: 5296.27, 0.00391582/step, 1.29287 hours remaining, 113.781250 MB of memory in use. ENERGY: 1311400 633.4289 1817.7803 1948.2454 104.5547 0.7651 -1065.0035 0.0000 0.0000 2703.4945 6143.2653 298.6085 3439.7708 6177.0430 297.0366 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: 5297.05, 0.00391718/step Wall: 5297.05, 0.00391718/step, 1.2931 hours remaining, 113.781250 MB of memory in use. ENERGY: 1311600 614.6916 1814.9867 1938.2755 105.9699 1.7624 -1060.6333 0.0000 0.0000 2706.5745 6121.6273 298.9487 3415.0528 6156.7653 293.7991 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: 5297.84, 0.00390996/step Wall: 5297.84, 0.00390996/step, 1.29051 hours remaining, 113.781250 MB of memory in use. ENERGY: 1311800 647.3300 1788.4284 1958.5743 101.5137 0.6605 -1034.9980 0.0000 0.0000 2696.4710 6157.9799 297.8327 3461.5089 6192.1301 295.3017 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: 5298.62, 0.00391562/step Wall: 5298.62, 0.00391562/step, 1.29215 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1312000 650.2906 1790.2326 1960.5032 106.6370 1.4785 -1066.8029 0.0000 0.0000 2673.1568 6115.4957 295.2576 3442.3389 6147.6436 295.0784 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: 5299.4, 0.00391709/step Wall: 5299.4, 0.00391709/step, 1.29242 hours remaining, 113.781250 MB of memory in use. ENERGY: 1312200 652.5168 1884.9678 1938.3704 87.9274 2.7416 -1077.4666 0.0000 0.0000 2717.2473 6206.3046 300.1275 3489.0573 6237.8898 297.0648 LDB: ============= START OF LOAD BALANCING ============== 5302.1 LDB: ============== END OF LOAD BALANCING =============== 5302.1 LDB: =============== DONE WITH MIGRATION ================ 5302.1 LDB: ============= START OF LOAD BALANCING ============== 5302.5 LDB: ============== END OF LOAD BALANCING =============== 5302.5 LDB: =============== DONE WITH MIGRATION ================ 5302.5 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: 5300.19, 0.00392051/step Wall: 5300.19, 0.00392051/step, 1.29333 hours remaining, 113.781250 MB of memory in use. ENERGY: 1312400 669.4901 1830.9112 1934.9455 94.9508 3.3483 -1089.4954 0.0000 0.0000 2638.4975 6082.6480 291.4294 3444.1505 6114.6868 294.7896 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: 5300.97, 0.00391551/step Wall: 5300.97, 0.00391551/step, 1.29147 hours remaining, 113.781250 MB of memory in use. ENERGY: 1312600 638.7701 1794.3071 1958.7345 104.5172 2.2833 -1057.2743 0.0000 0.0000 2663.3985 6104.7365 294.1798 3441.3379 6138.8145 292.9283 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: 5301.75, 0.00390819/step Wall: 5301.75, 0.00390819/step, 1.28883 hours remaining, 113.781250 MB of memory in use. ENERGY: 1312800 631.5710 1813.5972 1981.0686 96.9103 3.4123 -1077.9451 0.0000 0.0000 2711.3794 6159.9937 299.4794 3448.6143 6195.2408 295.2687 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: 5302.53, 0.00391572/step Wall: 5302.53, 0.00391572/step, 1.2911 hours remaining, 113.781250 MB of memory in use. ENERGY: 1313000 683.4907 1873.1675 1946.3797 109.5326 2.5199 -1096.5144 0.0000 0.0000 2639.0314 6157.6074 291.4884 3518.5760 6191.0611 296.4868 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: 5303.32, 0.00391565/step Wall: 5303.32, 0.00391565/step, 1.29086 hours remaining, 113.781250 MB of memory in use. ENERGY: 1313200 654.0317 1846.5844 1961.7552 108.1452 2.2523 -1072.8864 0.0000 0.0000 2627.0876 6126.9701 290.1691 3499.8825 6158.7978 295.2188 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: 5304.1, 0.00391425/step Wall: 5304.1, 0.00391425/step, 1.29018 hours remaining, 113.781250 MB of memory in use. ENERGY: 1313400 624.1273 1846.5580 1946.0610 118.7521 1.9561 -1065.5662 0.0000 0.0000 2679.3888 6151.2771 295.9460 3471.8883 6185.2093 295.0430 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: 5304.88, 0.00390986/step Wall: 5304.88, 0.00390986/step, 1.28852 hours remaining, 113.781250 MB of memory in use. ENERGY: 1313600 604.1473 1848.5839 1922.2108 116.5271 2.4405 -1031.9532 0.0000 0.0000 2704.3242 6166.2805 298.7001 3461.9563 6200.1682 297.7364 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: 5305.67, 0.00391568/step Wall: 5305.67, 0.00391568/step, 1.29022 hours remaining, 113.781250 MB of memory in use. ENERGY: 1313800 648.4340 1834.1249 1956.8340 116.4241 1.6531 -1064.9470 0.0000 0.0000 2686.0433 6178.5665 296.6810 3492.5232 6210.5305 297.4722 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: 5306.45, 0.0039169/step Wall: 5306.45, 0.0039169/step, 1.2904 hours remaining, 113.781250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1314000 668.3956 1840.8072 1983.7036 104.9184 1.0951 -1062.1264 0.0000 0.0000 2664.0270 6200.8205 294.2492 3536.7935 6232.8665 298.0678 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: 5307.23, 0.00391517/step Wall: 5307.23, 0.00391517/step, 1.28961 hours remaining, 113.781250 MB of memory in use. ENERGY: 1314200 643.6819 1852.4650 1944.5111 119.1720 1.4145 -1065.3918 0.0000 0.0000 2756.7278 6252.5805 304.4883 3495.8527 6286.2980 299.9174 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: 5308.02, 0.00391733/step Wall: 5308.02, 0.00391733/step, 1.29011 hours remaining, 113.781250 MB of memory in use. ENERGY: 1314400 649.4209 1851.3853 1976.4330 114.2269 1.0879 -1062.8901 0.0000 0.0000 2661.5033 6191.1671 293.9704 3529.6639 6224.2503 299.5026 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: 5308.8, 0.00391147/step Wall: 5308.8, 0.00391147/step, 1.28796 hours remaining, 113.781250 MB of memory in use. ENERGY: 1314600 646.4866 1851.0821 1952.8506 108.1206 1.6996 -1049.3089 0.0000 0.0000 2759.4066 6270.3372 304.7842 3510.9306 6306.2771 299.1240 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: 5309.58, 0.0039184/step Wall: 5309.58, 0.0039184/step, 1.29002 hours remaining, 113.781250 MB of memory in use. ENERGY: 1314800 644.2971 1861.5041 1968.0158 116.1030 2.5150 -1059.2880 0.0000 0.0000 2759.7012 6292.8482 304.8167 3533.1470 6324.5641 302.2399 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: 5310.36, 0.00391791/step Wall: 5310.36, 0.00391791/step, 1.28965 hours remaining, 113.781250 MB of memory in use. ENERGY: 1315000 654.2792 1863.9960 1947.0649 101.8995 1.4793 -1048.8950 0.0000 0.0000 2799.9853 6319.8092 309.2662 3519.8238 6356.7530 303.3719 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: 5311.15, 0.00391798/step Wall: 5311.15, 0.00391798/step, 1.28945 hours remaining, 113.960938 MB of memory in use. ENERGY: 1315200 658.6926 1908.6570 1924.6412 99.8810 1.8898 -1054.2747 0.0000 0.0000 2746.1274 6285.6145 303.3174 3539.4871 6319.4016 302.4306 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: 5311.93, 0.00391045/step Wall: 5311.93, 0.00391045/step, 1.28676 hours remaining, 113.960938 MB of memory in use. ENERGY: 1315400 661.1343 1880.1162 1945.3856 101.8707 1.4982 -1084.4224 0.0000 0.0000 2727.6380 6233.2206 301.2752 3505.5826 6267.7448 300.8894 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: 5312.71, 0.00391628/step Wall: 5312.71, 0.00391628/step, 1.28846 hours remaining, 113.968750 MB of memory in use. ENERGY: 1315600 634.4737 1867.7703 1937.9051 111.0870 2.2116 -1075.7279 0.0000 0.0000 2734.0044 6211.7242 301.9784 3477.7198 6248.3825 299.2810 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: 5313.5, 0.00391413/step Wall: 5313.5, 0.00391413/step, 1.28753 hours remaining, 113.968750 MB of memory in use. ENERGY: 1315800 651.2329 1792.3104 1988.9659 101.7364 1.5113 -1064.8171 0.0000 0.0000 2744.0632 6215.0029 303.0894 3470.9398 6250.9174 299.1869 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: 5314.28, 0.0039142/step Wall: 5314.28, 0.0039142/step, 1.28734 hours remaining, 113.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1316000 631.1950 1881.9769 1945.1317 100.4804 1.6921 -1042.7615 0.0000 0.0000 2700.0260 6217.7405 298.2254 3517.7145 6252.9040 300.4314 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: 5315.06, 0.0039165/step Wall: 5315.06, 0.0039165/step, 1.28788 hours remaining, 113.968750 MB of memory in use. ENERGY: 1316200 636.4607 1878.5247 1958.6087 112.4129 2.6923 -1058.6818 0.0000 0.0000 2692.0646 6222.0820 297.3460 3530.0174 6252.9004 300.1931 LDB: ============= START OF LOAD BALANCING ============== 5317.76 LDB: ============== END OF LOAD BALANCING =============== 5317.76 LDB: =============== DONE WITH MIGRATION ================ 5317.76 LDB: ============= START OF LOAD BALANCING ============== 5318.15 LDB: ============== END OF LOAD BALANCING =============== 5318.15 LDB: =============== DONE WITH MIGRATION ================ 5318.15 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: 5315.85, 0.00391632/step Wall: 5315.85, 0.00391632/step, 1.2876 hours remaining, 113.968750 MB of memory in use. ENERGY: 1316400 662.7848 1889.9842 1955.8026 109.4152 1.1187 -1080.4964 0.0000 0.0000 2655.7468 6194.3560 293.3346 3538.6092 6228.7693 299.1395 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: 5316.63, 0.00391582/step Wall: 5316.63, 0.00391582/step, 1.28722 hours remaining, 113.968750 MB of memory in use. ENERGY: 1316600 669.9708 1860.3434 1945.7066 96.7246 0.7956 -1058.3218 0.0000 0.0000 2658.7848 6174.0040 293.6702 3515.2192 6205.6875 297.9152 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: 5317.41, 0.00391647/step Wall: 5317.41, 0.00391647/step, 1.28721 hours remaining, 113.968750 MB of memory in use. ENERGY: 1316800 628.7895 1846.1140 1942.3407 110.9388 0.8116 -1080.1128 0.0000 0.0000 2737.6367 6186.5185 302.3796 3448.8818 6221.0632 297.3409 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: 5318.2, 0.00392682/step Wall: 5318.2, 0.00392682/step, 1.2904 hours remaining, 113.968750 MB of memory in use. ENERGY: 1317000 667.0073 1817.8548 1940.5740 111.7471 1.2717 -1056.8169 0.0000 0.0000 2662.4851 6144.1232 294.0789 3481.6381 6177.0479 296.4750 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: 5318.98, 0.0039159/step Wall: 5318.98, 0.0039159/step, 1.28659 hours remaining, 113.968750 MB of memory in use. ENERGY: 1317200 645.1123 1839.6328 1944.6648 101.7919 1.6389 -1061.6368 0.0000 0.0000 2717.2609 6188.4648 300.1290 3471.2039 6222.9722 296.9449 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: 5319.76, 0.00391245/step Wall: 5319.76, 0.00391245/step, 1.28524 hours remaining, 113.968750 MB of memory in use. ENERGY: 1317400 655.3893 1883.2020 1901.9488 105.9273 1.6944 -1049.5814 0.0000 0.0000 2701.4032 6199.9837 298.3775 3498.5805 6231.3688 298.7325 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: 5320.55, 0.00391766/step Wall: 5320.55, 0.00391766/step, 1.28674 hours remaining, 113.968750 MB of memory in use. ENERGY: 1317600 640.7603 1873.3735 1937.9596 108.3096 1.7917 -1043.5781 0.0000 0.0000 2664.8983 6183.5150 294.3454 3518.6167 6213.6740 297.7686 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: 5321.33, 0.00391748/step Wall: 5321.33, 0.00391748/step, 1.28646 hours remaining, 113.968750 MB of memory in use. ENERGY: 1317800 601.7485 1884.0400 1968.9526 108.3286 1.8998 -1063.1053 0.0000 0.0000 2689.8685 6191.7327 297.1035 3501.8641 6220.6658 298.8974 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: 5322.11, 0.00391703/step Wall: 5322.11, 0.00391703/step, 1.28609 hours remaining, 113.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1318000 686.6008 1824.5999 1976.0410 116.0117 1.2111 -1051.0325 0.0000 0.0000 2690.3343 6243.7662 297.1549 3553.4320 6274.3835 298.5110 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: 5322.9, 0.00391136/step Wall: 5322.9, 0.00391136/step, 1.28401 hours remaining, 113.968750 MB of memory in use. ENERGY: 1318200 657.3915 1832.9824 1968.0835 88.7316 1.3270 -1030.0226 0.0000 0.0000 2750.9849 6269.4784 303.8539 3518.4935 6303.0808 300.6124 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: 5323.68, 0.00391921/step Wall: 5323.68, 0.00391921/step, 1.28637 hours remaining, 113.968750 MB of memory in use. ENERGY: 1318400 641.0716 1878.2370 1923.6831 108.8609 1.2091 -1059.8893 0.0000 0.0000 2725.4233 6218.5958 301.0306 3493.1725 6250.7794 301.0580 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: 5324.46, 0.00391851/step Wall: 5324.46, 0.00391852/step, 1.28593 hours remaining, 113.968750 MB of memory in use. ENERGY: 1318600 660.8954 1813.9458 1958.5312 112.8647 2.6297 -1077.3351 0.0000 0.0000 2697.0394 6168.5711 297.8955 3471.5317 6201.0495 296.6282 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: 5325.25, 0.00391761/step Wall: 5325.25, 0.00391761/step, 1.28541 hours remaining, 113.968750 MB of memory in use. ENERGY: 1318800 619.3937 1840.4144 1945.6950 112.8620 2.7627 -1021.4713 0.0000 0.0000 2702.2136 6201.8700 298.4670 3499.6564 6231.2886 297.3139 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: 5326.03, 0.00391912/step Wall: 5326.03, 0.00391912/step, 1.28569 hours remaining, 113.968750 MB of memory in use. ENERGY: 1319000 629.0701 1876.6568 1973.7914 103.3822 2.8881 -1079.3718 0.0000 0.0000 2730.0384 6236.4551 301.5403 3506.4168 6270.0926 300.3510 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: 5326.81, 0.00391203/step Wall: 5326.81, 0.00391203/step, 1.28314 hours remaining, 113.968750 MB of memory in use. ENERGY: 1319200 643.3594 1808.1066 1928.1679 97.0191 3.1171 -1021.3241 0.0000 0.0000 2742.2364 6200.6824 302.8876 3458.4460 6236.3840 300.5065 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: 5327.6, 0.00391741/step Wall: 5327.6, 0.00391741/step, 1.28469 hours remaining, 113.968750 MB of memory in use. ENERGY: 1319400 674.1004 1824.4743 1951.0677 97.5858 1.9239 -1021.3367 0.0000 0.0000 2674.5830 6202.3983 295.4151 3527.8154 6232.7610 299.4886 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: 5328.38, 0.0039187/step Wall: 5328.38, 0.0039187/step, 1.2849 hours remaining, 113.968750 MB of memory in use. ENERGY: 1319600 685.6306 1864.9068 1963.5168 106.8458 2.0857 -1061.7858 0.0000 0.0000 2652.8463 6214.0462 293.0143 3561.1999 6243.5154 298.1793 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: 5329.16, 0.00391742/step Wall: 5329.16, 0.00391742/step, 1.28426 hours remaining, 113.968750 MB of memory in use. ENERGY: 1319800 633.7591 1842.6380 1968.2273 100.6518 2.8873 -1058.9046 0.0000 0.0000 2720.3062 6209.5651 300.4654 3489.2589 6241.5326 298.3160 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: 5329.95, 0.00391111/step Wall: 5329.95, 0.00391111/step, 1.28197 hours remaining, 113.968750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1320000 675.2095 1778.0786 1949.2595 109.1424 2.4318 -1055.2267 0.0000 0.0000 2759.7464 6218.6416 304.8217 3458.8952 6252.6115 298.9841 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1320000 WRITING COORDINATES TO DCD FILE MD.1.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: 5330.77, 0.00414112/step Wall: 5330.77, 0.00414112/step, 1.35714 hours remaining, 113.972656 MB of memory in use. ENERGY: 1320200 645.5008 1848.9840 1950.3355 104.5670 3.5097 -1045.3782 0.0000 0.0000 2717.8843 6225.4031 300.1979 3507.5188 6258.9089 299.5781 LDB: ============= START OF LOAD BALANCING ============== 5333.48 LDB: ============== END OF LOAD BALANCING =============== 5333.48 LDB: =============== DONE WITH MIGRATION ================ 5333.48 LDB: ============= START OF LOAD BALANCING ============== 5333.87 LDB: ============== END OF LOAD BALANCING =============== 5333.87 LDB: =============== DONE WITH MIGRATION ================ 5333.87 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: 5331.56, 0.00392224/step Wall: 5331.56, 0.00392224/step, 1.28519 hours remaining, 113.972656 MB of memory in use. ENERGY: 1320400 636.7713 1793.8355 1954.5617 111.7098 4.3029 -1011.0397 0.0000 0.0000 2692.0578 6182.1992 297.3453 3490.1415 6216.3690 298.8680 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: 5332.34, 0.00391762/step Wall: 5332.34, 0.00391762/step, 1.28346 hours remaining, 113.972656 MB of memory in use. ENERGY: 1320600 645.4101 1837.7337 1892.8232 111.0701 3.1725 -1046.1280 0.0000 0.0000 2692.6838 6136.7653 297.4144 3444.0815 6167.7839 296.3259 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: 5333.13, 0.00391659/step Wall: 5333.13, 0.00391659/step, 1.2829 hours remaining, 113.972656 MB of memory in use. ENERGY: 1320800 650.3673 1823.1069 1921.2872 107.1083 3.3297 -1057.0009 0.0000 0.0000 2732.4753 6180.6737 301.8095 3448.1984 6213.9533 296.5857 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: 5333.91, 0.00391077/step Wall: 5333.91, 0.00391077/step, 1.28078 hours remaining, 113.972656 MB of memory in use. ENERGY: 1321000 679.8301 1844.3133 1951.3772 107.4975 2.8001 -1047.1627 0.0000 0.0000 2688.7237 6227.3793 296.9770 3538.6555 6261.7745 299.2522 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: 5334.69, 0.00391674/step Wall: 5334.69, 0.00391674/step, 1.28251 hours remaining, 113.972656 MB of memory in use. ENERGY: 1321200 664.8132 1808.6821 1978.0168 105.2160 3.7263 -1008.0112 0.0000 0.0000 2698.4363 6250.8796 298.0498 3552.4433 6285.0347 299.2205 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: 5335.48, 0.00391816/step Wall: 5335.48, 0.00391816/step, 1.28276 hours remaining, 113.972656 MB of memory in use. ENERGY: 1321400 627.4720 1854.1050 1945.2280 107.6607 2.4681 -1048.6414 0.0000 0.0000 2771.6426 6259.9350 306.1356 3488.2924 6296.8402 301.9301 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: 5336.26, 0.00391778/step Wall: 5336.26, 0.00391778/step, 1.28242 hours remaining, 113.972656 MB of memory in use. ENERGY: 1321600 670.6711 1880.9647 1972.2483 114.5587 2.6424 -1093.0167 0.0000 0.0000 2695.4761 6243.5446 297.7228 3548.0684 6276.5617 300.6739 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: 5337.04, 0.00391804/step Wall: 5337.04, 0.00391804/step, 1.28229 hours remaining, 113.972656 MB of memory in use. ENERGY: 1321800 654.6833 1859.3923 1938.2179 125.2453 2.9673 -1091.5454 0.0000 0.0000 2781.5149 6270.4756 307.2261 3488.9606 6304.4644 301.2087 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: 5337.82, 0.00391082/step Wall: 5337.82, 0.00391082/step, 1.27971 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1322000 659.3934 1884.4655 1954.2616 105.2225 2.9402 -1060.0586 0.0000 0.0000 2650.1700 6196.3945 292.7187 3546.2245 6229.0456 299.8379 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: 5338.61, 0.00391626/step Wall: 5338.61, 0.00391626/step, 1.28127 hours remaining, 113.972656 MB of memory in use. ENERGY: 1322200 628.4534 1830.7326 1970.4232 107.4193 2.4548 -1064.5689 0.0000 0.0000 2724.9587 6199.8732 300.9793 3474.9144 6234.9727 297.8199 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: 5339.39, 0.00391539/step Wall: 5339.39, 0.00391539/step, 1.28077 hours remaining, 113.972656 MB of memory in use. ENERGY: 1322400 651.0060 1857.5339 1997.6242 111.9911 1.8496 -1058.0531 0.0000 0.0000 2665.3064 6227.2580 294.3905 3561.9515 6260.1794 300.0150 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: 5340.17, 0.00391704/step Wall: 5340.17, 0.00391704/step, 1.28109 hours remaining, 113.972656 MB of memory in use. ENERGY: 1322600 643.7095 1837.2740 1962.8440 108.0172 0.7435 -1047.0285 0.0000 0.0000 2693.6375 6199.1970 297.5198 3505.5596 6229.8755 297.9895 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: 5340.96, 0.00391076/step Wall: 5340.96, 0.00391076/step, 1.27882 hours remaining, 113.972656 MB of memory in use. ENERGY: 1322800 672.8450 1828.9742 1909.9493 111.0215 0.8197 -1061.3234 0.0000 0.0000 2710.5363 6172.8227 299.3863 3462.2864 6207.4119 297.5409 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: 5341.74, 0.0039169/step Wall: 5341.74, 0.0039169/step, 1.28061 hours remaining, 113.972656 MB of memory in use. ENERGY: 1323000 666.7006 1855.0525 1965.6885 119.6182 2.3863 -1074.2105 0.0000 0.0000 2694.8850 6230.1205 297.6576 3535.2355 6262.8116 297.9550 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: 5342.52, 0.0039175/step Wall: 5342.52, 0.0039175/step, 1.28059 hours remaining, 113.972656 MB of memory in use. ENERGY: 1323200 661.3224 1863.4899 1950.5307 99.7739 1.9895 -1080.2063 0.0000 0.0000 2750.9850 6247.8850 303.8540 3496.9000 6282.4853 299.9627 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: 5343.31, 0.00391491/step Wall: 5343.31, 0.00391491/step, 1.27952 hours remaining, 113.972656 MB of memory in use. ENERGY: 1323400 645.3549 1914.5385 1960.4140 111.3142 1.2611 -1087.0024 0.0000 0.0000 2687.6073 6233.4877 296.8537 3545.8804 6266.6032 301.0644 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: 5344.09, 0.00391652/step Wall: 5344.09, 0.00391652/step, 1.27983 hours remaining, 113.972656 MB of memory in use. ENERGY: 1323600 655.1239 1834.5658 1973.6938 114.1487 2.1090 -1038.8195 0.0000 0.0000 2676.1105 6216.9322 295.5839 3540.8217 6248.3905 298.1363 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: 5344.87, 0.00390909/step Wall: 5344.87, 0.00390909/step, 1.27719 hours remaining, 113.972656 MB of memory in use. ENERGY: 1323800 662.1117 1859.7629 1943.9743 115.1811 1.0057 -1077.2010 0.0000 0.0000 2718.6972 6223.5320 300.2877 3504.8347 6256.4019 299.7709 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: 5345.65, 0.00391677/step Wall: 5345.65, 0.00391677/step, 1.27948 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1324000 647.4733 1864.5121 1954.7404 97.1544 1.2228 -1072.1367 0.0000 0.0000 2692.8198 6185.7860 297.4294 3492.9662 6220.3980 299.1068 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: 5346.44, 0.00391642/step Wall: 5346.44, 0.00391642/step, 1.27915 hours remaining, 113.972656 MB of memory in use. ENERGY: 1324200 648.9783 1863.4917 1959.5438 98.0783 1.4796 -1031.0572 0.0000 0.0000 2660.7980 6201.3126 293.8926 3540.5145 6234.2036 296.7250 LDB: ============= START OF LOAD BALANCING ============== 5349.14 LDB: ============== END OF LOAD BALANCING =============== 5349.14 LDB: =============== DONE WITH MIGRATION ================ 5349.14 LDB: ============= START OF LOAD BALANCING ============== 5349.53 LDB: ============== END OF LOAD BALANCING =============== 5349.53 LDB: =============== DONE WITH MIGRATION ================ 5349.53 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: 5347.22, 0.00392159/step Wall: 5347.22, 0.00392159/step, 1.28062 hours remaining, 113.972656 MB of memory in use. ENERGY: 1324400 649.1924 1850.9000 1944.8260 109.8105 0.6297 -1061.8291 0.0000 0.0000 2693.2521 6186.7816 297.4772 3493.5296 6219.1783 297.0610 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: 5348.01, 0.00391935/step Wall: 5348.01, 0.00391935/step, 1.27967 hours remaining, 113.972656 MB of memory in use. ENERGY: 1324600 654.5717 1833.6217 1954.5090 98.7405 1.5409 -1041.8135 0.0000 0.0000 2791.5359 6292.7062 308.3329 3501.1703 6325.6881 300.8305 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: 5348.79, 0.00391938/step Wall: 5348.79, 0.00391938/step, 1.27946 hours remaining, 113.972656 MB of memory in use. ENERGY: 1324800 637.6996 1904.3592 1970.8709 109.3212 3.4366 -1062.0951 0.0000 0.0000 2723.1009 6286.6934 300.7741 3563.5925 6318.6108 303.4000 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: 5349.57, 0.00391925/step Wall: 5349.57, 0.00391925/step, 1.2792 hours remaining, 113.972656 MB of memory in use. ENERGY: 1325000 662.1884 1891.4431 1953.4178 103.9040 2.2870 -1059.2416 0.0000 0.0000 2764.7350 6318.7337 305.3727 3553.9988 6352.7139 303.6641 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: 5350.36, 0.00391649/step Wall: 5350.36, 0.00391648/step, 1.27808 hours remaining, 113.972656 MB of memory in use. ENERGY: 1325200 688.4403 1934.5446 1973.8401 109.9266 2.1112 -1101.1569 0.0000 0.0000 2721.5658 6329.2718 300.6045 3607.7060 6358.8271 305.1981 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: 5351.14, 0.0039148/step Wall: 5351.14, 0.00391481/step, 1.27732 hours remaining, 113.972656 MB of memory in use. ENERGY: 1325400 655.7447 1876.2184 1979.9985 106.1897 1.7585 -1042.4180 0.0000 0.0000 2707.3660 6284.8578 299.0361 3577.4918 6314.6146 304.1991 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: 5351.92, 0.00390956/step Wall: 5351.92, 0.00390956/step, 1.27538 hours remaining, 113.972656 MB of memory in use. ENERGY: 1325600 690.1791 1836.3717 1957.3957 102.3275 2.7152 -1039.6481 0.0000 0.0000 2710.3159 6259.6569 299.3619 3549.3410 6292.0609 302.6514 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: 5352.71, 0.00391572/step Wall: 5352.71, 0.00391572/step, 1.27718 hours remaining, 113.972656 MB of memory in use. ENERGY: 1325800 647.9536 1836.1500 1976.0817 105.0953 1.2569 -1063.3245 0.0000 0.0000 2767.7382 6270.9512 305.7044 3503.2130 6306.7901 301.7000 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: 5353.49, 0.00391542/step Wall: 5353.49, 0.00391542/step, 1.27686 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1326000 664.9442 1826.1154 1958.9031 95.7620 2.0031 -1042.1639 0.0000 0.0000 2751.3337 6256.8976 303.8925 3505.5639 6290.7099 301.5531 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: 5354.27, 0.00391414/step Wall: 5354.27, 0.00391414/step, 1.27623 hours remaining, 113.972656 MB of memory in use. ENERGY: 1326200 650.9762 1900.3370 1947.4697 120.9344 1.5112 -1068.0942 0.0000 0.0000 2720.9815 6274.1158 300.5400 3553.1344 6309.2144 301.9742 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: 5355.05, 0.00391462/step Wall: 5355.05, 0.00391462/step, 1.27617 hours remaining, 113.972656 MB of memory in use. ENERGY: 1326400 681.1066 1877.9573 1946.2393 126.8366 2.8504 -1074.8454 0.0000 0.0000 2681.9487 6242.0935 296.2287 3560.1448 6273.9546 300.8858 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: 5355.84, 0.0039078/step Wall: 5355.84, 0.0039078/step, 1.27372 hours remaining, 113.972656 MB of memory in use. ENERGY: 1326600 676.6214 1849.7565 1966.3209 115.7712 2.3849 -1062.7938 0.0000 0.0000 2703.3838 6251.4449 298.5963 3548.0612 6286.3734 300.5425 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: 5356.62, 0.00391531/step Wall: 5356.62, 0.00391531/step, 1.27596 hours remaining, 113.972656 MB of memory in use. ENERGY: 1326800 689.1583 1880.0095 1949.0497 118.4182 1.1256 -1054.1554 0.0000 0.0000 2735.2955 6318.9014 302.1210 3583.6059 6352.9087 300.7084 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: 5357.4, 0.00391354/step Wall: 5357.4, 0.00391354/step, 1.27516 hours remaining, 113.972656 MB of memory in use. ENERGY: 1327000 656.4083 1890.1045 1940.4943 115.7315 1.5193 -1097.9374 0.0000 0.0000 2758.9222 6265.2428 304.7306 3506.3205 6301.3697 303.3277 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: 5358.19, 0.00392254/step Wall: 5358.19, 0.00392254/step, 1.27787 hours remaining, 113.972656 MB of memory in use. ENERGY: 1327200 656.7852 1854.8033 1955.8028 102.7695 2.6238 -1048.2428 0.0000 0.0000 2721.7069 6246.2486 300.6201 3524.5417 6278.5643 301.5628 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: 5358.97, 0.0039097/step Wall: 5358.97, 0.0039097/step, 1.27347 hours remaining, 113.972656 MB of memory in use. ENERGY: 1327400 670.2348 1879.3739 1959.8196 103.1685 1.4048 -1097.6677 0.0000 0.0000 2729.7500 6246.0839 301.5085 3516.3340 6278.9257 301.2173 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: 5359.75, 0.00391566/step Wall: 5359.75, 0.00391566/step, 1.2752 hours remaining, 113.972656 MB of memory in use. ENERGY: 1327600 653.7528 1883.0160 1946.5609 96.8615 1.8663 -1100.3153 0.0000 0.0000 2762.3229 6244.0651 305.1063 3481.7422 6279.1336 300.8278 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: 5360.53, 0.00391498/step Wall: 5360.53, 0.00391497/step, 1.27476 hours remaining, 113.972656 MB of memory in use. ENERGY: 1327800 681.3609 1930.9615 1936.9163 117.6887 1.5443 -1081.1341 0.0000 0.0000 2695.5616 6282.8992 297.7323 3587.3376 6314.8209 302.6555 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: 5361.32, 0.00391425/step Wall: 5361.32, 0.00391426/step, 1.27431 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1328000 648.0946 1892.6390 1946.6111 112.3048 1.9253 -1057.1373 0.0000 0.0000 2768.0370 6312.4745 305.7374 3544.4375 6345.6124 305.0663 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: 5362.1, 0.0039151/step Wall: 5362.1, 0.0039151/step, 1.27437 hours remaining, 113.972656 MB of memory in use. ENERGY: 1328200 671.6862 1851.1153 1944.2278 101.4776 2.2514 -1072.8967 0.0000 0.0000 2769.7536 6267.6152 305.9270 3497.8616 6304.0087 303.7339 LDB: ============= START OF LOAD BALANCING ============== 5364.8 LDB: ============== END OF LOAD BALANCING =============== 5364.8 LDB: =============== DONE WITH MIGRATION ================ 5364.8 LDB: ============= START OF LOAD BALANCING ============== 5365.19 LDB: ============== END OF LOAD BALANCING =============== 5365.19 LDB: =============== DONE WITH MIGRATION ================ 5365.19 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: 5362.88, 0.00391407/step Wall: 5362.88, 0.00391407/step, 1.27381 hours remaining, 113.972656 MB of memory in use. ENERGY: 1328400 654.3472 1890.6197 1955.3019 113.7159 2.7577 -1060.4808 0.0000 0.0000 2637.8549 6194.1165 291.3584 3556.2615 6224.2971 300.5989 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: 5363.67, 0.00391784/step Wall: 5363.67, 0.00391784/step, 1.27482 hours remaining, 113.972656 MB of memory in use. ENERGY: 1328600 639.6373 1900.0648 1934.2878 114.5665 3.0416 -1098.4340 0.0000 0.0000 2683.9410 6177.1050 296.4488 3493.1639 6207.9605 298.7110 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: 5364.45, 0.00391569/step Wall: 5364.45, 0.00391569/step, 1.2739 hours remaining, 113.972656 MB of memory in use. ENERGY: 1328800 686.8172 1833.3557 1947.7833 103.1614 2.7196 -1075.1744 0.0000 0.0000 2727.5016 6226.1645 301.2602 3498.6629 6257.9465 300.5609 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: 5365.23, 0.00391448/step Wall: 5365.23, 0.00391448/step, 1.27329 hours remaining, 113.972656 MB of memory in use. ENERGY: 1329000 680.4359 1855.2091 1966.0815 110.3723 2.0571 -1100.6891 0.0000 0.0000 2683.9500 6197.4169 296.4498 3513.4668 6232.1123 298.3396 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: 5366.01, 0.00390966/step Wall: 5366.01, 0.00390966/step, 1.27151 hours remaining, 113.972656 MB of memory in use. ENERGY: 1329200 620.3331 1875.4685 1920.5454 104.8983 2.7171 -1064.0198 0.0000 0.0000 2667.0644 6127.0070 294.5847 3459.9426 6158.6254 296.1761 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: 5366.8, 0.00391525/step Wall: 5366.8, 0.00391525/step, 1.27311 hours remaining, 113.972656 MB of memory in use. ENERGY: 1329400 689.4129 1834.5359 1947.6382 109.3279 2.0168 -1091.5768 0.0000 0.0000 2680.9113 6172.2662 296.1141 3491.3549 6203.2296 296.0701 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: 5367.58, 0.00391573/step Wall: 5367.58, 0.00391573/step, 1.27305 hours remaining, 113.972656 MB of memory in use. ENERGY: 1329600 679.1811 1830.8011 1913.9117 107.9451 2.4814 -1066.9711 0.0000 0.0000 2771.3088 6238.6580 306.0988 3467.3492 6275.9562 299.3503 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: 5368.36, 0.00391726/step Wall: 5368.36, 0.00391726/step, 1.27333 hours remaining, 113.972656 MB of memory in use. ENERGY: 1329800 627.6247 1849.7255 1957.2578 113.8327 2.5169 -1074.6675 0.0000 0.0000 2716.8151 6193.1050 300.0798 3476.2899 6227.8607 299.5386 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: 5369.15, 0.00391682/step Wall: 5369.15, 0.00391682/step, 1.27297 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1330000 635.4580 1867.8191 1950.2292 107.7471 2.4209 -1082.1902 0.0000 0.0000 2728.8702 6210.3542 301.4113 3481.4840 6243.7287 301.0977 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1330000 WRITING COORDINATES TO DCD FILE MD.1.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: 5369.96, 0.004075/step Wall: 5369.96, 0.004075/step, 1.32415 hours remaining, 113.972656 MB of memory in use. ENERGY: 1330200 678.4329 1860.3705 1968.4386 109.9935 2.7129 -1091.0771 0.0000 0.0000 2717.6518 6246.5231 300.1722 3528.8713 6279.6925 302.5929 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: 5370.75, 0.00391687/step Wall: 5370.75, 0.00391687/step, 1.27255 hours remaining, 113.972656 MB of memory in use. ENERGY: 1330400 639.9272 1866.0128 1978.3245 117.2448 3.5660 -1070.8003 0.0000 0.0000 2755.3307 6289.6057 304.3340 3534.2750 6321.8587 302.7779 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: 5371.53, 0.00391733/step Wall: 5371.53, 0.00391733/step, 1.27248 hours remaining, 113.972656 MB of memory in use. ENERGY: 1330600 655.2442 1834.0711 1960.2080 109.7545 4.7746 -1083.2091 0.0000 0.0000 2756.4464 6237.2898 304.4572 3480.8434 6269.2654 302.0466 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: 5372.31, 0.00391677/step Wall: 5372.31, 0.00391677/step, 1.27208 hours remaining, 113.972656 MB of memory in use. ENERGY: 1330800 671.3898 1841.0862 1965.8099 116.5330 3.2521 -1089.3739 0.0000 0.0000 2760.7033 6269.4005 304.9274 3508.6971 6302.2626 302.2706 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: 5373.1, 0.00391511/step Wall: 5373.1, 0.00391511/step, 1.27132 hours remaining, 113.972656 MB of memory in use. ENERGY: 1331000 646.3656 1830.8907 1985.9264 105.6208 3.4500 -1091.1095 0.0000 0.0000 2754.4053 6235.5494 304.2317 3481.1441 6271.1900 302.8908 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: 5373.88, 0.00390911/step Wall: 5373.88, 0.00390911/step, 1.26916 hours remaining, 113.972656 MB of memory in use. ENERGY: 1331200 659.0275 1848.2220 1919.2220 109.8939 3.5546 -1055.9150 0.0000 0.0000 2798.4079 6282.4129 309.0920 3484.0049 6318.7726 303.4076 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: 5374.66, 0.00391575/step Wall: 5374.66, 0.00391575/step, 1.2711 hours remaining, 113.972656 MB of memory in use. ENERGY: 1331400 695.8542 1840.4098 1949.6301 100.4928 2.8357 -1094.1908 0.0000 0.0000 2831.4363 6326.4682 312.7400 3495.0319 6363.8316 304.6939 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: 5375.44, 0.00391624/step Wall: 5375.44, 0.00391624/step, 1.27104 hours remaining, 113.972656 MB of memory in use. ENERGY: 1331600 675.7830 1888.4700 1946.2730 109.3488 3.4394 -1076.2779 0.0000 0.0000 2809.3608 6356.3971 310.3017 3547.0363 6392.1609 308.0462 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: 5376.23, 0.00391576/step Wall: 5376.23, 0.00391576/step, 1.27067 hours remaining, 113.972656 MB of memory in use. ENERGY: 1331800 682.4191 1913.2046 1954.9011 108.8938 3.6209 -1090.6946 0.0000 0.0000 2695.7295 6268.0744 297.7508 3572.3449 6298.6001 305.8045 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: 5377.01, 0.00390875/step Wall: 5377.01, 0.00390875/step, 1.26817 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1332000 642.2195 1864.4349 1979.1600 110.5750 3.7521 -1075.6629 0.0000 0.0000 2772.9611 6297.4397 306.2813 3524.4786 6333.6556 304.1100 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: 5377.79, 0.00391368/step Wall: 5377.79, 0.00391368/step, 1.26955 hours remaining, 113.972656 MB of memory in use. ENERGY: 1332200 671.2596 1894.5455 1961.3784 93.4099 2.3428 -1081.2170 0.0000 0.0000 2779.3158 6321.0350 306.9832 3541.7192 6355.2347 305.2100 LDB: ============= START OF LOAD BALANCING ============== 5380.49 LDB: ============== END OF LOAD BALANCING =============== 5380.49 LDB: =============== DONE WITH MIGRATION ================ 5380.49 LDB: ============= START OF LOAD BALANCING ============== 5380.88 LDB: ============== END OF LOAD BALANCING =============== 5380.88 LDB: =============== DONE WITH MIGRATION ================ 5380.88 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: 5378.58, 0.00391976/step Wall: 5378.58, 0.00391976/step, 1.27131 hours remaining, 113.972656 MB of memory in use. ENERGY: 1332400 674.9684 1835.7710 1972.9167 127.8203 2.7695 -1080.5091 0.0000 0.0000 2742.9999 6276.7367 302.9720 3533.7368 6310.6613 305.7258 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: 5379.36, 0.00391605/step Wall: 5379.36, 0.00391605/step, 1.26989 hours remaining, 113.972656 MB of memory in use. ENERGY: 1332600 669.7491 1891.8206 1924.4600 104.5639 3.8297 -1108.6262 0.0000 0.0000 2703.5345 6189.3316 298.6129 3485.7971 6221.6168 300.9375 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: 5380.14, 0.00391683/step Wall: 5380.14, 0.00391683/step, 1.26992 hours remaining, 113.972656 MB of memory in use. ENERGY: 1332800 649.7984 1901.5646 1920.9413 115.2639 3.0391 -1082.7398 0.0000 0.0000 2685.8042 6193.6718 296.6546 3507.8676 6224.6978 297.6463 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: 5380.92, 0.00391057/step Wall: 5380.92, 0.00391057/step, 1.26768 hours remaining, 113.972656 MB of memory in use. ENERGY: 1333000 650.1385 1816.0347 1977.8959 122.0548 3.1519 -1069.4504 0.0000 0.0000 2680.8419 6180.6673 296.1065 3499.8254 6213.2433 298.1148 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: 5381.71, 0.00391806/step Wall: 5381.71, 0.00391806/step, 1.26989 hours remaining, 113.972656 MB of memory in use. ENERGY: 1333200 641.8940 1878.3352 1934.3372 110.3493 2.6590 -1071.8657 0.0000 0.0000 2702.9269 6198.6358 298.5458 3495.7089 6232.9605 298.9189 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: 5382.49, 0.00391683/step Wall: 5382.49, 0.00391683/step, 1.26927 hours remaining, 113.972656 MB of memory in use. ENERGY: 1333400 641.3328 1880.8585 1968.9587 124.9272 2.0663 -1076.3834 0.0000 0.0000 2668.7056 6210.4657 294.7660 3541.7601 6242.1101 299.0585 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: 5383.27, 0.00391612/step Wall: 5383.27, 0.00391611/step, 1.26882 hours remaining, 113.972656 MB of memory in use. ENERGY: 1333600 641.6552 1849.1700 1940.9526 101.9518 2.7565 -1091.6114 0.0000 0.0000 2715.4698 6160.3446 299.9312 3444.8748 6191.4694 297.5531 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: 5384.06, 0.00390959/step Wall: 5384.06, 0.00390959/step, 1.26649 hours remaining, 113.972656 MB of memory in use. ENERGY: 1333800 632.6714 1837.9729 1950.8798 108.4665 3.3442 -1068.1473 0.0000 0.0000 2698.0088 6163.1962 298.0026 3465.1874 6194.2135 297.5863 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: 5384.84, 0.00391674/step Wall: 5384.84, 0.00391674/step, 1.26859 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1334000 665.6709 1878.2887 1967.0236 109.2598 2.4443 -1105.1439 0.0000 0.0000 2662.1809 6179.7244 294.0453 3517.5434 6212.5851 297.5423 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: 5385.62, 0.00391605/step Wall: 5385.62, 0.00391605/step, 1.26815 hours remaining, 113.972656 MB of memory in use. ENERGY: 1334200 692.4661 1859.9639 1940.6172 113.9160 2.4589 -1094.4650 0.0000 0.0000 2664.0179 6178.9750 294.2482 3514.9570 6211.2117 296.5387 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: 5386.41, 0.00391672/step Wall: 5386.41, 0.00391672/step, 1.26815 hours remaining, 113.972656 MB of memory in use. ENERGY: 1334400 676.3663 1901.5666 1920.3266 99.1121 2.5791 -1078.5108 0.0000 0.0000 2713.4129 6234.8527 299.7040 3521.4397 6266.8030 298.5449 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: 5387.19, 0.00391401/step Wall: 5387.19, 0.00391401/step, 1.26705 hours remaining, 113.972656 MB of memory in use. ENERGY: 1334600 701.5461 1844.4016 1943.6165 116.5092 3.1788 -1094.4947 0.0000 0.0000 2691.2163 6205.9738 297.2523 3514.7576 6239.6336 299.8946 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: 5387.97, 0.00390875/step Wall: 5387.97, 0.00390875/step, 1.26513 hours remaining, 113.972656 MB of memory in use. ENERGY: 1334800 680.2421 1885.1058 1947.0872 106.7242 2.0928 -1113.8250 0.0000 0.0000 2673.0832 6180.5102 295.2495 3507.4271 6212.9200 300.0040 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: 5388.75, 0.00391613/step Wall: 5388.75, 0.00391613/step, 1.2673 hours remaining, 113.972656 MB of memory in use. ENERGY: 1335000 628.7529 1835.8421 1953.3665 113.8976 3.0664 -1067.5078 0.0000 0.0000 2732.6452 6200.0629 301.8283 3467.4177 6235.1190 300.2626 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: 5389.54, 0.00391745/step Wall: 5389.54, 0.00391745/step, 1.26751 hours remaining, 113.972656 MB of memory in use. ENERGY: 1335200 657.9403 1838.8723 1942.5278 93.9792 4.5110 -1045.5811 0.0000 0.0000 2702.6531 6194.9025 298.5156 3492.2494 6229.4709 298.1250 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: 5390.32, 0.00391621/step Wall: 5390.32, 0.00391621/step, 1.26689 hours remaining, 113.972656 MB of memory in use. ENERGY: 1335400 619.3843 1840.2799 1945.4211 104.9080 2.6683 -1037.6909 0.0000 0.0000 2735.2684 6210.2391 302.1180 3474.9707 6244.9408 299.9030 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: 5391.1, 0.00390882/step Wall: 5391.1, 0.00390882/step, 1.26429 hours remaining, 113.972656 MB of memory in use. ENERGY: 1335600 684.1657 1866.2479 1976.2460 107.9501 4.3117 -1093.9336 0.0000 0.0000 2683.7870 6228.7749 296.4317 3544.9879 6261.4644 300.9521 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: 5391.89, 0.00391518/step Wall: 5391.89, 0.00391518/step, 1.26613 hours remaining, 113.972656 MB of memory in use. ENERGY: 1335800 668.2264 1884.5328 1956.7864 105.2245 3.3134 -1068.4649 0.0000 0.0000 2721.1868 6270.8054 300.5627 3549.6186 6303.7311 301.0188 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: 5392.67, 0.00391577/step Wall: 5392.67, 0.00391577/step, 1.2661 hours remaining, 113.972656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1336000 621.2040 1853.2234 1933.9471 94.7634 2.0836 -1038.5315 0.0000 0.0000 2732.3458 6199.0359 301.7952 3466.6901 6234.6574 301.0732 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: 5393.45, 0.00391703/step Wall: 5393.45, 0.00391703/step, 1.26629 hours remaining, 113.976562 MB of memory in use. ENERGY: 1336200 663.8381 1839.0382 1958.4395 107.2846 2.2442 -1058.2686 0.0000 0.0000 2738.9119 6251.4880 302.5205 3512.5761 6285.9979 301.2841 LDB: ============= START OF LOAD BALANCING ============== 5396.15 LDB: ============== END OF LOAD BALANCING =============== 5396.15 LDB: =============== DONE WITH MIGRATION ================ 5396.15 LDB: ============= START OF LOAD BALANCING ============== 5396.54 LDB: ============== END OF LOAD BALANCING =============== 5396.54 LDB: =============== DONE WITH MIGRATION ================ 5396.54 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: 5394.24, 0.00391844/step Wall: 5394.24, 0.00391844/step, 1.26653 hours remaining, 113.976562 MB of memory in use. ENERGY: 1336400 677.7445 1824.5676 1976.6127 97.2385 3.3888 -1066.6502 0.0000 0.0000 2748.5674 6261.4694 303.5869 3512.9020 6296.2423 301.5950 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: 5395.02, 0.00391034/step Wall: 5395.02, 0.00391034/step, 1.26369 hours remaining, 113.976562 MB of memory in use. ENERGY: 1336600 670.4941 1880.7433 1947.5236 111.4572 2.7794 -1064.5750 0.0000 0.0000 2696.3814 6244.8038 297.8228 3548.4225 6277.4366 301.1011 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: 5395.8, 0.00391682/step Wall: 5395.8, 0.00391682/step, 1.26557 hours remaining, 113.976562 MB of memory in use. ENERGY: 1336800 652.2717 1909.9726 1959.7184 108.7262 3.0989 -1087.2751 0.0000 0.0000 2672.8441 6219.3569 295.2231 3546.5128 6251.8775 300.7180 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: 5396.58, 0.00391564/step Wall: 5396.58, 0.00391564/step, 1.26497 hours remaining, 113.976562 MB of memory in use. ENERGY: 1337000 636.1453 1838.8288 1957.5595 101.7157 0.8827 -1049.2340 0.0000 0.0000 2715.1075 6201.0055 299.8912 3485.8980 6231.6675 298.9015 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: 5397.37, 0.0039149/step Wall: 5397.37, 0.0039149/step, 1.26451 hours remaining, 113.976562 MB of memory in use. ENERGY: 1337200 646.6358 1836.7228 1979.3196 114.7568 1.5260 -1054.3890 0.0000 0.0000 2698.1063 6222.6783 298.0134 3524.5720 6253.5128 300.6838 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: 5398.15, 0.00391968/step Wall: 5398.15, 0.00391968/step, 1.26584 hours remaining, 113.980469 MB of memory in use. ENERGY: 1337400 667.3405 1874.6393 1941.2390 101.5879 1.4944 -1103.2508 0.0000 0.0000 2694.1282 6177.1785 297.5740 3483.0503 6208.6499 300.1015 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: 5398.93, 0.00391046/step Wall: 5398.93, 0.00391045/step, 1.26264 hours remaining, 113.984375 MB of memory in use. ENERGY: 1337600 656.7409 1838.5771 1931.7241 100.8859 2.0185 -1074.6688 0.0000 0.0000 2791.6018 6246.8795 308.3402 3455.2777 6282.5146 300.1597 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: 5399.72, 0.00391798/step Wall: 5399.72, 0.00391799/step, 1.26486 hours remaining, 113.984375 MB of memory in use. ENERGY: 1337800 685.0430 1886.8094 1929.0966 112.9123 2.7720 -1076.1331 0.0000 0.0000 2688.7202 6229.2205 296.9766 3540.5003 6264.1261 301.4795 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: 5400.5, 0.00391567/step Wall: 5400.5, 0.00391567/step, 1.26389 hours remaining, 113.984375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1338000 684.4142 1892.2123 1929.9475 93.5785 2.2242 -1084.9194 0.0000 0.0000 2721.1626 6238.6200 300.5600 3517.4573 6270.7567 300.1211 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: 5401.3, 0.00399287/step Wall: 5401.3, 0.00399287/step, 1.28859 hours remaining, 113.984375 MB of memory in use. ENERGY: 1338200 645.8137 1904.7342 1941.4912 95.5510 3.3498 -1057.3829 0.0000 0.0000 2711.4223 6244.9792 299.4841 3533.5570 6275.9328 300.3402 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: 5402.08, 0.00390953/step Wall: 5402.08, 0.00390953/step, 1.26147 hours remaining, 113.984375 MB of memory in use. ENERGY: 1338400 646.8551 1882.7865 1968.2015 123.4546 3.7210 -1078.0504 0.0000 0.0000 2739.3842 6286.3525 302.5726 3546.9684 6319.1687 301.7106 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: 5402.86, 0.00390879/step Wall: 5402.86, 0.00390879/step, 1.26102 hours remaining, 113.984375 MB of memory in use. ENERGY: 1338600 648.3249 1879.0513 1980.2532 105.1780 1.3237 -1069.7123 0.0000 0.0000 2768.5162 6312.9350 305.7903 3544.4189 6345.2422 303.6085 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: 5403.64, 0.00390888/step Wall: 5403.64, 0.00390888/step, 1.26083 hours remaining, 113.992188 MB of memory in use. ENERGY: 1338800 655.5623 1930.7587 1961.2830 98.3614 1.2376 -1095.8188 0.0000 0.0000 2707.0805 6258.4647 299.0046 3551.3842 6292.0240 303.5569 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: 5404.43, 0.00390952/step Wall: 5404.43, 0.00390952/step, 1.26082 hours remaining, 113.992188 MB of memory in use. ENERGY: 1339000 673.0397 1864.6207 1928.0672 103.7324 2.5160 -1064.8928 0.0000 0.0000 2730.0486 6237.1319 301.5415 3507.0833 6269.3902 299.9886 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: 5405.21, 0.00390887/step Wall: 5405.21, 0.00390887/step, 1.26039 hours remaining, 113.992188 MB of memory in use. ENERGY: 1339200 642.3117 1856.0042 1947.9846 111.4527 2.7708 -1034.2327 0.0000 0.0000 2701.6559 6227.9471 298.4054 3526.2912 6262.8175 301.2957 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: 5405.99, 0.00390988/step Wall: 5405.99, 0.00390988/step, 1.2605 hours remaining, 113.992188 MB of memory in use. ENERGY: 1339400 653.5171 1847.9185 1941.9242 108.3424 2.9071 -1064.0873 0.0000 0.0000 2690.1806 6180.7025 297.1379 3490.5220 6214.0324 298.9379 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: 5406.77, 0.00391277/step Wall: 5406.77, 0.00391277/step, 1.26122 hours remaining, 113.992188 MB of memory in use. ENERGY: 1339600 651.7525 1866.8742 1970.8170 105.4530 3.1292 -1094.4432 0.0000 0.0000 2737.2258 6240.8085 302.3342 3503.5827 6273.1523 300.4202 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: 5407.55, 0.00391241/step Wall: 5407.55, 0.00391241/step, 1.26088 hours remaining, 113.992188 MB of memory in use. ENERGY: 1339800 640.2662 1828.8757 1942.6588 110.4406 2.5254 -1041.7084 0.0000 0.0000 2739.9440 6223.0023 302.6345 3483.0583 6256.2657 302.5071 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: 5408.34, 0.0039275/step Wall: 5408.34, 0.00392751/step, 1.26553 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1340000 618.8467 1828.3756 1939.1726 114.7591 1.9446 -1057.7369 0.0000 0.0000 2727.4409 6172.8026 301.2534 3445.3617 6211.4533 297.4730 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1340000 WRITING COORDINATES TO DCD FILE MD.1.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: 5409.22, 0.00440113/step Wall: 5409.22, 0.00440113/step, 1.4179 hours remaining, 114.132812 MB of memory in use. ENERGY: 1340200 659.0428 1814.0099 1983.1489 115.3056 1.0800 -1074.5726 0.0000 0.0000 2700.5089 6198.5236 298.2787 3498.0147 6230.6885 296.6926 LDB: ============= START OF LOAD BALANCING ============== 5411.92 LDB: ============== END OF LOAD BALANCING =============== 5411.92 LDB: =============== DONE WITH MIGRATION ================ 5411.92 LDB: ============= START OF LOAD BALANCING ============== 5412.31 LDB: ============== END OF LOAD BALANCING =============== 5412.31 LDB: =============== DONE WITH MIGRATION ================ 5412.31 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: 5410.01, 0.00392651/step Wall: 5410.01, 0.00392651/step, 1.26477 hours remaining, 114.132812 MB of memory in use. ENERGY: 1340400 650.4771 1845.5376 1983.5631 101.2308 1.9257 -1104.9332 0.0000 0.0000 2733.1560 6210.9572 301.8847 3477.8012 6244.0363 297.8932 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: 5410.79, 0.00391725/step Wall: 5410.79, 0.00391725/step, 1.26157 hours remaining, 114.132812 MB of memory in use. ENERGY: 1340600 635.2194 1891.2755 1956.4015 114.3674 2.6544 -1065.4724 0.0000 0.0000 2660.1585 6194.6044 293.8219 3534.4459 6225.6898 299.9795 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: 5411.57, 0.00391577/step Wall: 5411.57, 0.00391577/step, 1.26088 hours remaining, 114.132812 MB of memory in use. ENERGY: 1340800 679.9478 1907.1007 1964.9847 117.0565 2.1501 -1071.1146 0.0000 0.0000 2622.4288 6222.5538 289.6546 3600.1250 6250.2575 298.0546 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: 5412.36, 0.00391632/step Wall: 5412.36, 0.00391632/step, 1.26084 hours remaining, 114.132812 MB of memory in use. ENERGY: 1341000 667.2161 1839.8631 1983.4592 98.0956 1.6351 -1110.6233 0.0000 0.0000 2753.2072 6232.8530 304.0994 3479.6458 6267.8188 299.9398 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: 5413.14, 0.00391161/step Wall: 5413.14, 0.00391161/step, 1.25911 hours remaining, 114.132812 MB of memory in use. ENERGY: 1341200 661.9321 1838.7881 1969.8841 106.4225 3.0453 -1089.6176 0.0000 0.0000 2782.8386 6273.2931 307.3723 3490.4545 6305.4917 302.6996 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: 5413.92, 0.00391578/step Wall: 5413.92, 0.00391578/step, 1.26023 hours remaining, 114.132812 MB of memory in use. ENERGY: 1341400 664.0998 1897.1830 1946.5885 102.5418 0.5968 -1094.8793 0.0000 0.0000 2703.7458 6219.8765 298.6363 3516.1307 6251.9575 300.5145 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: 5414.7, 0.00391662/step Wall: 5414.7, 0.00391662/step, 1.26028 hours remaining, 114.132812 MB of memory in use. ENERGY: 1341600 696.6413 1898.6803 1931.4804 102.1880 2.6990 -1094.7767 0.0000 0.0000 2760.7736 6297.6859 304.9351 3536.9123 6327.8821 302.0709 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: 5415.49, 0.00391548/step Wall: 5415.49, 0.00391548/step, 1.2597 hours remaining, 114.132812 MB of memory in use. ENERGY: 1341800 648.2208 1888.8828 1985.3765 108.0913 3.0514 -1071.9008 0.0000 0.0000 2720.8009 6282.5229 300.5200 3561.7220 6313.0284 304.7922 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: 5416.27, 0.0039145/step Wall: 5416.27, 0.0039145/step, 1.25916 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1342000 669.0744 1878.4597 1997.3536 100.2929 3.0149 -1078.7844 0.0000 0.0000 2743.7463 6313.1574 303.0544 3569.4111 6347.3039 303.9711 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: 5417.05, 0.00390947/step Wall: 5417.05, 0.00390947/step, 1.25733 hours remaining, 114.132812 MB of memory in use. ENERGY: 1342200 643.8339 1884.5005 1972.6969 109.0822 1.3805 -1047.9105 0.0000 0.0000 2748.2894 6311.8729 303.5562 3563.5835 6343.0424 305.2517 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: 5417.83, 0.00391459/step Wall: 5417.83, 0.0039146/step, 1.25876 hours remaining, 114.132812 MB of memory in use. ENERGY: 1342400 640.8760 1851.0563 1985.2969 105.1103 2.6365 -1078.2426 0.0000 0.0000 2760.8650 6267.5984 304.9452 3506.7334 6302.5982 303.9066 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: 5418.62, 0.00391597/step Wall: 5418.62, 0.00391597/step, 1.25898 hours remaining, 114.132812 MB of memory in use. ENERGY: 1342600 667.9633 1844.6023 1979.1221 114.8423 1.6120 -1058.4134 0.0000 0.0000 2704.6712 6254.3999 298.7385 3549.7287 6287.2184 300.3037 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: 5419.4, 0.00391557/step Wall: 5419.4, 0.00391557/step, 1.25864 hours remaining, 114.132812 MB of memory in use. ENERGY: 1342800 648.3743 1787.3655 1978.9864 106.5770 1.6467 -1063.0044 0.0000 0.0000 2776.0621 6236.0076 306.6238 3459.9455 6270.2323 300.6752 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: 5420.18, 0.00391592/step Wall: 5420.18, 0.00391592/step, 1.25853 hours remaining, 114.132812 MB of memory in use. ENERGY: 1343000 651.1007 1877.8296 1969.5783 106.8721 1.3428 -1112.2909 0.0000 0.0000 2724.2210 6218.6537 300.8978 3494.4327 6249.6496 299.3026 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: 5420.97, 0.00390972/step Wall: 5420.97, 0.00390972/step, 1.25632 hours remaining, 114.132812 MB of memory in use. ENERGY: 1343200 656.5660 1827.4009 1971.0078 118.5061 2.9545 -1086.7577 0.0000 0.0000 2716.4367 6206.1143 300.0380 3489.6776 6239.0252 299.1916 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: 5421.75, 0.00391517/step Wall: 5421.75, 0.00391517/step, 1.25786 hours remaining, 114.132812 MB of memory in use. ENERGY: 1343400 662.1392 1816.7746 1966.5903 113.4170 2.9496 -1092.0818 0.0000 0.0000 2709.5827 6179.3716 299.2810 3469.7889 6211.2787 297.8353 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: 5422.53, 0.00391617/step Wall: 5422.53, 0.00391617/step, 1.25796 hours remaining, 114.132812 MB of memory in use. ENERGY: 1343600 651.4669 1814.5090 1962.0174 121.9530 1.4969 -1054.8467 0.0000 0.0000 2661.6155 6158.2120 293.9828 3496.5965 6189.0264 296.1071 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: 5423.32, 0.00391558/step Wall: 5423.32, 0.00391558/step, 1.25755 hours remaining, 114.132812 MB of memory in use. ENERGY: 1343800 617.7552 1845.8818 1969.0702 118.2133 1.5509 -1094.9621 0.0000 0.0000 2708.2771 6165.7864 299.1367 3457.5093 6199.0290 298.2431 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: 5424.1, 0.00390904/step Wall: 5424.1, 0.00390903/step, 1.25523 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1344000 619.9595 1853.4044 1962.2101 107.1552 4.0621 -1079.4126 0.0000 0.0000 2693.5090 6160.8875 297.5056 3467.3786 6194.1203 298.5093 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: 5424.88, 0.00391575/step Wall: 5424.88, 0.00391575/step, 1.25717 hours remaining, 114.132812 MB of memory in use. ENERGY: 1344200 660.3644 1824.4842 1972.7597 101.1811 2.1458 -1038.9732 0.0000 0.0000 2644.8021 6166.7642 292.1258 3521.9621 6201.3033 296.5091 LDB: ============= START OF LOAD BALANCING ============== 5427.58 LDB: ============== END OF LOAD BALANCING =============== 5427.58 LDB: =============== DONE WITH MIGRATION ================ 5427.58 LDB: ============= START OF LOAD BALANCING ============== 5427.97 LDB: ============== END OF LOAD BALANCING =============== 5427.97 LDB: =============== DONE WITH MIGRATION ================ 5427.97 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: 5425.66, 0.00391917/step Wall: 5425.66, 0.00391917/step, 1.25805 hours remaining, 114.132812 MB of memory in use. ENERGY: 1344400 637.3441 1832.5332 1976.1666 107.2609 3.4990 -1092.3146 0.0000 0.0000 2677.6566 6142.1457 295.7546 3464.4892 6176.0406 295.2486 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: 5426.45, 0.00391449/step Wall: 5426.45, 0.00391448/step, 1.25633 hours remaining, 114.132812 MB of memory in use. ENERGY: 1344600 652.3963 1839.0486 1948.8184 113.3330 3.7976 -1081.0796 0.0000 0.0000 2667.9200 6144.2343 294.6792 3476.3143 6177.6102 294.6295 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: 5427.23, 0.00391507/step Wall: 5427.23, 0.00391507/step, 1.2563 hours remaining, 114.132812 MB of memory in use. ENERGY: 1344800 667.0881 1805.9109 2003.7209 115.0697 1.9061 -1057.7042 0.0000 0.0000 2613.2093 6149.2006 288.6362 3535.9914 6179.9512 296.6126 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: 5428.01, 0.00390965/step Wall: 5428.01, 0.00390965/step, 1.25435 hours remaining, 114.132812 MB of memory in use. ENERGY: 1345000 631.5230 1823.6573 1985.0930 114.8703 2.8756 -1068.2102 0.0000 0.0000 2664.6647 6154.4737 294.3196 3489.8090 6188.4588 295.7606 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: 5428.8, 0.00391553/step Wall: 5428.8, 0.00391553/step, 1.25602 hours remaining, 114.132812 MB of memory in use. ENERGY: 1345200 630.9789 1790.4849 1962.7409 113.2182 2.8183 -1038.2849 0.0000 0.0000 2698.9001 6160.8565 298.1010 3461.9564 6195.4045 296.0482 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: 5429.58, 0.00391465/step Wall: 5429.58, 0.00391465/step, 1.25552 hours remaining, 114.132812 MB of memory in use. ENERGY: 1345400 644.2737 1842.0806 1973.5464 119.0899 2.4390 -1074.5091 0.0000 0.0000 2647.0315 6153.9519 292.3720 3506.9204 6184.1678 297.3988 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: 5430.36, 0.0039169/step Wall: 5430.36, 0.0039169/step, 1.25602 hours remaining, 114.132812 MB of memory in use. ENERGY: 1345600 637.0632 1805.2713 1974.0794 123.8406 2.8242 -1109.7453 0.0000 0.0000 2716.0878 6149.4211 299.9995 3433.3334 6181.7574 295.4299 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: 5431.14, 0.00391181/step Wall: 5431.14, 0.00391181/step, 1.25417 hours remaining, 114.132812 MB of memory in use. ENERGY: 1345800 611.2428 1849.8491 1947.4509 113.1786 3.2498 -1058.6094 0.0000 0.0000 2708.0114 6174.3732 299.1074 3466.3618 6206.8722 298.6977 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: 5431.93, 0.00391619/step Wall: 5431.93, 0.00391619/step, 1.25536 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1346000 636.1857 1879.4957 1942.6784 113.7365 2.5812 -1051.6701 0.0000 0.0000 2688.9269 6211.9342 296.9995 3523.0073 6243.6296 298.7085 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: 5432.71, 0.00391633/step Wall: 5432.71, 0.00391633/step, 1.25518 hours remaining, 114.132812 MB of memory in use. ENERGY: 1346200 654.3828 1830.9532 1952.2352 102.3328 1.8117 -1042.8714 0.0000 0.0000 2698.8544 6197.6987 298.0960 3498.8443 6230.7416 297.7778 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: 5433.49, 0.0039162/step Wall: 5433.49, 0.0039162/step, 1.25492 hours remaining, 114.132812 MB of memory in use. ENERGY: 1346400 671.2341 1842.1200 1962.0530 112.6077 2.5972 -1079.4435 0.0000 0.0000 2754.0720 6265.2406 304.1949 3511.1686 6299.5709 299.5889 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: 5434.28, 0.00391567/step Wall: 5434.28, 0.00391567/step, 1.25454 hours remaining, 114.132812 MB of memory in use. ENERGY: 1346600 668.2188 1875.0628 1951.8310 122.9703 2.6398 -1069.1121 0.0000 0.0000 2752.9691 6304.5796 304.0731 3551.6106 6336.1889 303.8229 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: 5435.06, 0.00391071/step Wall: 5435.06, 0.00391071/step, 1.25273 hours remaining, 114.132812 MB of memory in use. ENERGY: 1346800 687.5496 1869.6273 1971.1835 106.7829 2.5992 -1067.6687 0.0000 0.0000 2794.7692 6364.8430 308.6900 3570.0738 6401.2700 305.7125 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: 5435.84, 0.00391495/step Wall: 5435.84, 0.00391495/step, 1.25387 hours remaining, 114.132812 MB of memory in use. ENERGY: 1347000 674.3437 1928.4374 1981.9549 114.6798 2.6904 -1090.7865 0.0000 0.0000 2717.6600 6328.9795 300.1731 3611.3196 6361.1278 305.1575 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: 5436.63, 0.00391698/step Wall: 5436.63, 0.00391698/step, 1.2543 hours remaining, 114.132812 MB of memory in use. ENERGY: 1347200 635.8043 1860.8887 1954.9164 111.2135 2.3686 -1017.5105 0.0000 0.0000 2789.1640 6336.8450 308.0709 3547.6809 6370.1681 305.9616 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: 5437.41, 0.00391625/step Wall: 5437.41, 0.00391625/step, 1.25385 hours remaining, 114.132812 MB of memory in use. ENERGY: 1347400 645.0293 1836.6879 1979.5655 96.0398 3.1148 -1054.5445 0.0000 0.0000 2816.0075 6321.9003 311.0359 3505.8928 6358.5699 304.5830 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: 5438.19, 0.00391104/step Wall: 5438.19, 0.00391104/step, 1.25197 hours remaining, 114.132812 MB of memory in use. ENERGY: 1347600 671.3972 1888.2808 1944.7178 116.0125 2.3276 -1018.6777 0.0000 0.0000 2755.7083 6359.7665 304.3757 3604.0582 6392.4652 305.7193 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: 5438.98, 0.0039253/step Wall: 5438.98, 0.0039253/step, 1.25631 hours remaining, 114.132812 MB of memory in use. ENERGY: 1347800 683.5063 1866.9765 1973.3700 108.3898 2.6440 -1067.5291 0.0000 0.0000 2738.8517 6306.2090 302.5138 3567.3574 6341.7412 306.5763 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: 5439.76, 0.00392046/step Wall: 5439.76, 0.00392046/step, 1.25455 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1348000 667.1801 1830.0905 1978.1749 119.3973 2.2269 -1071.1239 0.0000 0.0000 2794.8944 6320.8401 308.7039 3525.9457 6352.5633 304.3662 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: 5440.54, 0.00391921/step Wall: 5440.54, 0.00391921/step, 1.25393 hours remaining, 114.132812 MB of memory in use. ENERGY: 1348200 648.9152 1896.3878 1962.2395 125.6565 1.4117 -1033.0232 0.0000 0.0000 2672.8150 6274.4026 295.2199 3601.5875 6307.6498 303.3860 LDB: ============= START OF LOAD BALANCING ============== 5443.24 LDB: ============== END OF LOAD BALANCING =============== 5443.24 LDB: =============== DONE WITH MIGRATION ================ 5443.24 LDB: ============= START OF LOAD BALANCING ============== 5443.64 LDB: ============== END OF LOAD BALANCING =============== 5443.64 LDB: =============== DONE WITH MIGRATION ================ 5443.64 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: 5441.33, 0.00392236/step Wall: 5441.33, 0.00392236/step, 1.25472 hours remaining, 114.132812 MB of memory in use. ENERGY: 1348400 648.9319 1811.5701 1980.1228 110.5113 2.8561 -1059.2418 0.0000 0.0000 2742.4438 6237.1942 302.9106 3494.7504 6273.7979 300.7340 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: 5442.11, 0.00390949/step Wall: 5442.11, 0.00390949/step, 1.25039 hours remaining, 114.132812 MB of memory in use. ENERGY: 1348600 669.0640 1904.9604 1972.1082 117.8043 2.1854 -1090.4447 0.0000 0.0000 2668.7451 6244.4228 294.7703 3575.6777 6272.0685 299.7120 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: 5442.89, 0.00391927/step Wall: 5442.89, 0.00391927/step, 1.2533 hours remaining, 114.132812 MB of memory in use. ENERGY: 1348800 654.0818 1828.0589 1953.0299 105.1681 2.6390 -1047.5033 0.0000 0.0000 2766.7490 6262.2234 305.5951 3495.4744 6295.6966 302.5896 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: 5443.68, 0.00391829/step Wall: 5443.68, 0.00391829/step, 1.25277 hours remaining, 114.132812 MB of memory in use. ENERGY: 1349000 646.5148 1847.7406 1957.8335 119.6547 0.2334 -1052.0742 0.0000 0.0000 2696.7957 6216.6984 297.8686 3519.9028 6247.9551 301.9769 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: 5444.46, 0.00391749/step Wall: 5444.46, 0.00391749/step, 1.25229 hours remaining, 114.132812 MB of memory in use. ENERGY: 1349200 648.1132 1808.6532 1965.5563 116.0821 0.1541 -1078.0605 0.0000 0.0000 2725.0690 6185.5675 300.9915 3460.4985 6223.2838 298.2173 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: 5445.24, 0.00391742/step Wall: 5445.24, 0.00391742/step, 1.25205 hours remaining, 114.132812 MB of memory in use. ENERGY: 1349400 650.8621 1849.1544 1979.6646 102.8207 1.5573 -1074.9727 0.0000 0.0000 2729.8144 6238.9009 301.5156 3509.0865 6271.5120 299.2320 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: 5446.03, 0.00391215/step Wall: 5446.03, 0.00391215/step, 1.25015 hours remaining, 114.132812 MB of memory in use. ENERGY: 1349600 663.7670 1788.4689 1976.4231 121.4469 0.7152 -1051.5269 0.0000 0.0000 2764.3555 6263.6497 305.3308 3499.2942 6299.5001 301.0168 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: 5446.81, 0.00391907/step Wall: 5446.81, 0.00391907/step, 1.25214 hours remaining, 114.132812 MB of memory in use. ENERGY: 1349800 666.8881 1920.7722 1957.9663 92.6463 1.5857 -1049.3318 0.0000 0.0000 2676.9157 6267.4426 295.6728 3590.5269 6298.7996 300.0901 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: 5447.59, 0.00391805/step Wall: 5447.59, 0.00391805/step, 1.2516 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1350000 688.7842 1909.9077 1929.2854 112.5834 2.1751 -1067.6452 0.0000 0.0000 2731.6199 6306.7105 301.7150 3575.0905 6337.6368 303.7557 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1350000 WRITING COORDINATES TO DCD FILE MD.1.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: 5448.41, 0.00408986/step Wall: 5448.41, 0.00408986/step, 1.30626 hours remaining, 114.132812 MB of memory in use. ENERGY: 1350200 706.3309 1843.5150 1952.7926 108.4758 2.2010 -1052.3208 0.0000 0.0000 2784.0349 6345.0295 307.5044 3560.9945 6380.5726 304.5014 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: 5449.19, 0.003911/step Wall: 5449.19, 0.003911/step, 1.24891 hours remaining, 114.132812 MB of memory in use. ENERGY: 1350400 687.3885 1946.1873 1936.5603 110.2894 1.1152 -1070.5675 0.0000 0.0000 2775.3993 6386.3726 306.5506 3610.9733 6419.0259 307.3309 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: 5449.98, 0.00391917/step Wall: 5449.98, 0.00391917/step, 1.25131 hours remaining, 114.132812 MB of memory in use. ENERGY: 1350600 653.1089 1859.2875 1993.0888 114.0540 2.3687 -1035.3761 0.0000 0.0000 2800.8683 6387.4000 309.3637 3586.5317 6423.2218 307.6530 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: 5450.76, 0.00391865/step Wall: 5450.76, 0.00391865/step, 1.25092 hours remaining, 114.132812 MB of memory in use. ENERGY: 1350800 676.2149 1870.4854 2001.7475 113.0903 0.9928 -1048.4359 0.0000 0.0000 2754.7394 6368.8343 304.2686 3614.0949 6398.0184 308.0567 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: 5451.55, 0.00391804/step Wall: 5451.55, 0.00391804/step, 1.25051 hours remaining, 114.132812 MB of memory in use. ENERGY: 1351000 670.6790 1858.9736 1994.5021 122.0867 1.4843 -1034.2336 0.0000 0.0000 2747.1709 6360.6630 303.4327 3613.4921 6392.9496 306.0187 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: 5452.33, 0.003918/step Wall: 5452.33, 0.003918/step, 1.25028 hours remaining, 114.132812 MB of memory in use. ENERGY: 1351200 702.0121 1880.3157 1938.3894 106.6918 1.4714 -1071.3992 0.0000 0.0000 2745.9198 6303.4009 303.2945 3557.4810 6337.2014 304.7771 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: 5453.11, 0.00391006/step Wall: 5453.11, 0.00391006/step, 1.24752 hours remaining, 114.132812 MB of memory in use. ENERGY: 1351400 660.0773 1830.5612 1984.9948 115.1438 2.6989 -1048.7079 0.0000 0.0000 2741.6372 6286.4053 302.8215 3544.7681 6319.5619 304.4675 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: 5453.9, 0.00391769/step Wall: 5453.9, 0.00391769/step, 1.24974 hours remaining, 114.132812 MB of memory in use. ENERGY: 1351600 650.6731 1848.7176 1945.1960 115.7748 -0.5511 -1044.9575 0.0000 0.0000 2773.6670 6288.5198 306.3592 3514.8528 6324.8775 304.2835 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: 5454.68, 0.0039175/step Wall: 5454.68, 0.0039175/step, 1.24947 hours remaining, 114.132812 MB of memory in use. ENERGY: 1351800 668.5786 1866.1682 1946.3943 104.1975 0.3538 -1057.7566 0.0000 0.0000 2756.7421 6284.6779 304.4898 3527.9358 6319.0104 303.6039 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: 5455.46, 0.00391683/step Wall: 5455.46, 0.00391683/step, 1.24903 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1352000 634.8637 1862.7749 1947.6433 103.3896 0.6342 -1045.5031 0.0000 0.0000 2764.1628 6267.9655 305.3095 3503.8027 6302.3396 302.9901 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: 5456.24, 0.00391247/step Wall: 5456.24, 0.00391248/step, 1.24743 hours remaining, 114.132812 MB of memory in use. ENERGY: 1352200 607.2418 1843.5002 1968.9165 107.2338 0.5874 -1042.4864 0.0000 0.0000 2751.5258 6236.5192 303.9137 3484.9934 6271.9277 300.5950 LDB: ============= START OF LOAD BALANCING ============== 5458.95 LDB: ============== END OF LOAD BALANCING =============== 5458.95 LDB: =============== DONE WITH MIGRATION ================ 5458.95 LDB: ============= START OF LOAD BALANCING ============== 5459.34 LDB: ============== END OF LOAD BALANCING =============== 5459.34 LDB: =============== DONE WITH MIGRATION ================ 5459.34 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: 5457.03, 0.00391928/step Wall: 5457.03, 0.00391928/step, 1.24938 hours remaining, 114.132812 MB of memory in use. ENERGY: 1352400 683.6473 1870.3162 1958.5984 114.6942 1.5091 -1029.2212 0.0000 0.0000 2699.1744 6298.7184 298.1313 3599.5439 6330.9592 301.0612 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: 5457.81, 0.00391787/step Wall: 5457.81, 0.00391787/step, 1.24871 hours remaining, 114.132812 MB of memory in use. ENERGY: 1352600 632.1067 1844.0749 1966.4357 99.8158 2.5484 -1051.1223 0.0000 0.0000 2781.9901 6275.8492 307.2786 3493.8591 6311.1464 302.8576 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: 5458.6, 0.0039187/step Wall: 5458.6, 0.0039187/step, 1.24876 hours remaining, 114.132812 MB of memory in use. ENERGY: 1352800 704.4183 1897.1050 1960.7719 112.1999 1.2025 -1078.6530 0.0000 0.0000 2698.3181 6295.3627 298.0368 3597.0445 6326.2994 304.0631 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: 5459.38, 0.00391589/step Wall: 5459.38, 0.00391589/step, 1.24765 hours remaining, 114.132812 MB of memory in use. ENERGY: 1353000 654.7354 1863.0450 1986.7454 110.5772 1.0718 -1053.3381 0.0000 0.0000 2770.4748 6333.3113 306.0067 3562.8366 6371.4081 303.5784 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: 5460.16, 0.00390994/step Wall: 5460.16, 0.00390994/step, 1.24553 hours remaining, 114.132812 MB of memory in use. ENERGY: 1353200 643.0818 1931.2797 1969.7173 103.7886 2.2428 -1054.3870 0.0000 0.0000 2705.4832 6301.2065 298.8282 3595.7233 6334.2298 304.4463 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: 5460.94, 0.00391756/step Wall: 5460.94, 0.00391756/step, 1.24774 hours remaining, 114.132812 MB of memory in use. ENERGY: 1353400 613.4795 1831.0997 1976.7885 108.2921 1.0419 -1017.0042 0.0000 0.0000 2708.4533 6222.1507 299.1562 3513.6975 6255.5407 301.1280 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: 5461.73, 0.00391651/step Wall: 5461.73, 0.00391652/step, 1.24719 hours remaining, 114.132812 MB of memory in use. ENERGY: 1353600 668.0725 1815.1645 1969.7118 98.4040 1.5301 -1068.8979 0.0000 0.0000 2716.7263 6200.7112 300.0700 3483.9849 6234.2021 298.7509 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: 5462.51, 0.00391797/step Wall: 5462.51, 0.00391797/step, 1.24744 hours remaining, 114.132812 MB of memory in use. ENERGY: 1353800 625.3335 1821.8292 1983.5600 115.9922 1.0236 -1037.6292 0.0000 0.0000 2704.3609 6214.4703 298.7042 3510.1093 6247.1713 299.8396 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: 5463.29, 0.00391777/step Wall: 5463.29, 0.00391777/step, 1.24716 hours remaining, 114.132812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1354000 614.4064 1828.9514 1993.1359 100.0752 2.1297 -1009.4225 0.0000 0.0000 2688.2607 6217.5367 296.9259 3529.2761 6252.4782 298.2034 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: 5464.08, 0.00390976/step Wall: 5464.08, 0.00390976/step, 1.24439 hours remaining, 114.132812 MB of memory in use. ENERGY: 1354200 667.0183 1838.6797 2000.2933 112.3029 3.3055 -1065.1883 0.0000 0.0000 2685.7318 6242.1431 296.6466 3556.4114 6272.6038 298.1566 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: 5464.86, 0.00392222/step Wall: 5464.86, 0.00392221/step, 1.24814 hours remaining, 114.132812 MB of memory in use. ENERGY: 1354400 653.6187 1868.4064 1949.0951 104.1924 1.5519 -1026.8943 0.0000 0.0000 2695.7263 6245.6964 297.7505 3549.9702 6277.4875 298.8834 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: 5465.64, 0.00391657/step Wall: 5465.64, 0.00391657/step, 1.24612 hours remaining, 114.132812 MB of memory in use. ENERGY: 1354600 651.2934 1855.9926 1964.2624 93.7620 2.5525 -1052.1628 0.0000 0.0000 2744.0332 6259.7332 303.0861 3515.7000 6295.9274 300.3065 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: 5466.43, 0.00391742/step Wall: 5466.43, 0.00391742/step, 1.24617 hours remaining, 114.156250 MB of memory in use. ENERGY: 1354800 640.3279 1835.0703 1933.1515 110.3483 1.8700 -1025.4025 0.0000 0.0000 2771.9014 6267.2668 306.1642 3495.3654 6299.0740 301.2042 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: 5467.21, 0.00390921/step Wall: 5467.21, 0.00390921/step, 1.24335 hours remaining, 114.156250 MB of memory in use. ENERGY: 1355000 643.6727 1870.4605 1950.7316 109.8731 2.1301 -1036.4506 0.0000 0.0000 2665.6996 6206.1169 294.4339 3540.4174 6238.0755 302.0003 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: 5468, 0.00392951/step Wall: 5468, 0.00392951/step, 1.24958 hours remaining, 114.156250 MB of memory in use. ENERGY: 1355200 623.4155 1868.8192 1952.7923 95.4095 3.4448 -1054.2524 0.0000 0.0000 2711.4442 6201.0731 299.4866 3489.6289 6231.9460 300.7755 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: 5468.78, 0.00392297/step Wall: 5468.78, 0.00392297/step, 1.24729 hours remaining, 114.156250 MB of memory in use. ENERGY: 1355400 633.5641 1844.9732 1969.6687 112.8396 2.1391 -1050.9690 0.0000 0.0000 2701.3538 6213.5693 298.3721 3512.2155 6247.6808 299.3281 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: 5469.56, 0.00392184/step Wall: 5469.56, 0.00392184/step, 1.24671 hours remaining, 114.156250 MB of memory in use. ENERGY: 1355600 670.9695 1874.7525 1989.0620 104.5299 2.3019 -1052.0744 0.0000 0.0000 2647.0748 6236.6161 292.3768 3589.5413 6267.0589 300.6151 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: 5470.35, 0.00391719/step Wall: 5470.35, 0.00391719/step, 1.24501 hours remaining, 114.156250 MB of memory in use. ENERGY: 1355800 681.3671 1806.6903 1946.1161 119.3338 0.7012 -1065.9097 0.0000 0.0000 2713.0873 6201.3861 299.6681 3488.2987 6234.7807 299.5238 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: 5471.13, 0.00390985/step Wall: 5471.13, 0.00390985/step, 1.24246 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1356000 657.3186 1832.2830 1949.1200 100.3120 2.3560 -1080.2187 0.0000 0.0000 2715.8318 6177.0027 299.9712 3461.1709 6208.4783 297.7218 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: 5471.91, 0.00391575/step Wall: 5471.91, 0.00391575/step, 1.24412 hours remaining, 114.156250 MB of memory in use. ENERGY: 1356200 621.5930 1832.2416 1962.9711 108.7865 1.8928 -1061.5437 0.0000 0.0000 2708.0103 6173.9516 299.1073 3465.9413 6205.7619 298.4055 LDB: ============= START OF LOAD BALANCING ============== 5474.61 LDB: ============== END OF LOAD BALANCING =============== 5474.61 LDB: =============== DONE WITH MIGRATION ================ 5474.61 LDB: ============= START OF LOAD BALANCING ============== 5475.01 LDB: ============== END OF LOAD BALANCING =============== 5475.01 LDB: =============== DONE WITH MIGRATION ================ 5475.01 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: 5472.7, 0.00392029/step Wall: 5472.7, 0.00392029/step, 1.24535 hours remaining, 114.156250 MB of memory in use. ENERGY: 1356400 646.7371 1829.5132 1984.9632 113.5977 2.0835 -1075.0484 0.0000 0.0000 2698.9801 6200.8266 298.1099 3501.8465 6233.7248 297.6781 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: 5473.48, 0.00391667/step Wall: 5473.48, 0.00391667/step, 1.24398 hours remaining, 114.156250 MB of memory in use. ENERGY: 1356600 623.0036 1811.1223 1970.8267 107.4301 0.5421 -1049.2367 0.0000 0.0000 2740.4863 6204.1745 302.6943 3463.6881 6236.4716 298.4317 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: 5474.26, 0.00390928/step Wall: 5474.26, 0.00390928/step, 1.24141 hours remaining, 114.156250 MB of memory in use. ENERGY: 1356800 680.4642 1827.4214 1955.6586 116.1500 2.4710 -1051.3072 0.0000 0.0000 2727.4729 6258.3308 301.2570 3530.8580 6291.5145 299.2115 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: 5475.05, 0.0039176/step Wall: 5475.05, 0.0039176/step, 1.24384 hours remaining, 114.156250 MB of memory in use. ENERGY: 1357000 673.0086 1816.3780 1968.0824 101.5628 2.7447 -1090.0116 0.0000 0.0000 2744.5695 6216.3345 303.1453 3471.7650 6247.3730 301.0453 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: 5475.83, 0.00391661/step Wall: 5475.83, 0.00391661/step, 1.24331 hours remaining, 114.156250 MB of memory in use. ENERGY: 1357200 685.5928 1830.2981 1958.8279 99.9861 1.1599 -1093.3174 0.0000 0.0000 2720.4030 6202.9505 300.4761 3482.5475 6236.1879 299.0280 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: 5476.61, 0.00391711/step Wall: 5476.61, 0.00391711/step, 1.24325 hours remaining, 114.156250 MB of memory in use. ENERGY: 1357400 644.5984 1837.2969 1970.3285 106.0301 0.5595 -1080.3432 0.0000 0.0000 2716.1898 6194.6599 300.0107 3478.4701 6228.9260 299.2081 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: 5477.4, 0.00392491/step Wall: 5477.4, 0.00392491/step, 1.24551 hours remaining, 114.156250 MB of memory in use. ENERGY: 1357600 696.9026 1851.3621 1941.0559 93.1655 1.5456 -1072.0569 0.0000 0.0000 2719.0471 6231.0219 300.3263 3511.9747 6262.0605 299.1418 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: 5478.18, 0.00390987/step Wall: 5478.18, 0.00390987/step, 1.24051 hours remaining, 114.156250 MB of memory in use. ENERGY: 1357800 681.2576 1909.5249 1927.9689 97.0438 1.9965 -1079.4075 0.0000 0.0000 2738.0733 6276.4576 302.4278 3538.3843 6308.7079 301.8687 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: 5478.96, 0.00391779/step Wall: 5478.96, 0.00391779/step, 1.24281 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1358000 632.1053 1862.3464 1972.1844 111.5959 1.6321 -1097.8602 0.0000 0.0000 2785.2043 6267.2082 307.6336 3482.0039 6300.4142 303.5506 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: 5479.75, 0.00391701/step Wall: 5479.75, 0.00391701/step, 1.24234 hours remaining, 114.156250 MB of memory in use. ENERGY: 1358200 685.7833 1795.0716 1951.4212 110.8588 1.6671 -1060.2995 0.0000 0.0000 2826.5433 6311.0458 312.1996 3484.5025 6350.7845 304.3201 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: 5480.53, 0.00391865/step Wall: 5480.53, 0.00391865/step, 1.24265 hours remaining, 114.156250 MB of memory in use. ENERGY: 1358400 644.9754 1926.5479 1951.6359 108.6491 -0.2310 -1081.2492 0.0000 0.0000 2744.1024 6294.4306 303.0938 3550.3281 6325.6325 305.5172 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: 5481.31, 0.00391475/step Wall: 5481.31, 0.00391475/step, 1.24119 hours remaining, 114.156250 MB of memory in use. ENERGY: 1358600 647.8798 1917.0547 1966.9245 118.2395 0.8953 -1077.6545 0.0000 0.0000 2753.9775 6327.3168 304.1845 3573.3393 6358.6118 304.9447 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: 5482.1, 0.00390886/step Wall: 5482.1, 0.00390886/step, 1.23911 hours remaining, 114.156250 MB of memory in use. ENERGY: 1358800 671.0241 1813.3609 1982.7107 116.4236 1.7420 -1070.5306 0.0000 0.0000 2768.3711 6283.1016 305.7743 3514.7305 6318.5664 304.7050 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: 5482.88, 0.00391693/step Wall: 5482.88, 0.00391693/step, 1.24145 hours remaining, 114.156250 MB of memory in use. ENERGY: 1359000 673.9119 1822.3242 1967.2686 105.1984 1.4572 -1054.6593 0.0000 0.0000 2785.7837 6301.2846 307.6976 3515.5009 6338.4687 303.7296 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: 5483.66, 0.00391623/step Wall: 5483.66, 0.00391623/step, 1.24101 hours remaining, 114.156250 MB of memory in use. ENERGY: 1359200 638.8978 1821.6936 1979.4670 101.9868 1.3666 -1035.2561 0.0000 0.0000 2757.9644 6266.1201 304.6249 3508.1557 6299.0537 305.0116 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: 5484.45, 0.00391647/step Wall: 5484.45, 0.00391647/step, 1.24087 hours remaining, 114.156250 MB of memory in use. ENERGY: 1359400 653.9216 1821.2748 1929.7950 104.6831 2.3600 -1036.6869 0.0000 0.0000 2746.3430 6221.6907 303.3412 3475.3477 6259.7382 301.4772 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: 5485.23, 0.00390904/step Wall: 5485.23, 0.00390904/step, 1.2383 hours remaining, 114.156250 MB of memory in use. ENERGY: 1359600 674.6678 1867.3885 1949.4926 93.9952 2.0966 -1090.3754 0.0000 0.0000 2713.9323 6211.1976 299.7614 3497.2653 6242.6080 300.3197 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: 5486.01, 0.00391684/step Wall: 5486.01, 0.00391684/step, 1.24055 hours remaining, 114.156250 MB of memory in use. ENERGY: 1359800 651.5391 1828.7106 1969.0300 100.9969 2.4624 -1086.9683 0.0000 0.0000 2731.8187 6197.5894 301.7370 3465.7707 6231.7866 299.8960 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: 5486.79, 0.00391785/step Wall: 5486.79, 0.00391785/step, 1.24065 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1360000 656.1185 1844.1205 1970.7509 121.8693 2.3357 -1049.8187 0.0000 0.0000 2648.8810 6194.2572 292.5763 3545.3762 6226.8545 300.1261 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1360000 WRITING COORDINATES TO DCD FILE MD.1.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: 5487.61, 0.00409328/step Wall: 5487.61, 0.00409328/step, 1.29598 hours remaining, 114.156250 MB of memory in use. ENERGY: 1360200 640.7869 1818.9691 1941.4366 106.0576 3.3063 -1070.6685 0.0000 0.0000 2767.7695 6207.6577 305.7079 3439.8881 6242.5173 298.9592 LDB: ============= START OF LOAD BALANCING ============== 5490.31 LDB: ============== END OF LOAD BALANCING =============== 5490.31 LDB: =============== DONE WITH MIGRATION ================ 5490.31 LDB: ============= START OF LOAD BALANCING ============== 5490.71 LDB: ============== END OF LOAD BALANCING =============== 5490.71 LDB: =============== DONE WITH MIGRATION ================ 5490.71 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: 5488.4, 0.00392339/step Wall: 5488.4, 0.00392339/step, 1.24197 hours remaining, 114.156250 MB of memory in use. ENERGY: 1360400 662.6708 1899.4882 1974.7899 111.3171 2.0198 -1078.1657 0.0000 0.0000 2627.8530 6199.9731 290.2537 3572.1202 6230.9899 299.2333 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: 5489.18, 0.00391015/step Wall: 5489.18, 0.00391015/step, 1.23756 hours remaining, 114.156250 MB of memory in use. ENERGY: 1360600 649.7843 1845.3745 1962.2004 105.4484 2.3467 -1080.2058 0.0000 0.0000 2704.7640 6189.7124 298.7487 3484.9484 6221.4057 298.0852 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: 5489.96, 0.00391829/step Wall: 5489.96, 0.00391829/step, 1.23992 hours remaining, 114.156250 MB of memory in use. ENERGY: 1360800 705.3156 1837.1117 1962.4375 116.3029 1.9877 -1100.2681 0.0000 0.0000 2665.7238 6188.6112 294.4366 3522.8873 6220.9764 298.6354 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: 5490.75, 0.00392063/step Wall: 5490.75, 0.00392063/step, 1.24044 hours remaining, 114.156250 MB of memory in use. ENERGY: 1361000 640.8293 1847.1663 1981.7585 101.0849 2.1227 -1039.0353 0.0000 0.0000 2657.8451 6191.7717 293.5664 3533.9265 6223.3222 298.2210 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: 5491.53, 0.00391737/step Wall: 5491.53, 0.00391737/step, 1.2392 hours remaining, 114.156250 MB of memory in use. ENERGY: 1361200 606.3690 1855.9889 1952.5032 94.3958 1.7188 -1059.4180 0.0000 0.0000 2743.0727 6194.6304 302.9800 3451.5577 6230.3998 298.2763 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: 5492.31, 0.0039106/step Wall: 5492.31, 0.0039106/step, 1.23684 hours remaining, 114.156250 MB of memory in use. ENERGY: 1361400 664.7206 1824.7255 1987.2287 95.0503 0.3785 -1061.0477 0.0000 0.0000 2699.5403 6210.5961 298.1717 3511.0558 6243.8869 298.0262 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: 5493.1, 0.00391558/step Wall: 5493.1, 0.00391558/step, 1.23819 hours remaining, 114.156250 MB of memory in use. ENERGY: 1361600 632.3709 1849.1253 1983.5082 98.3899 1.8033 -1058.4649 0.0000 0.0000 2692.5866 6199.3193 297.4037 3506.7327 6232.4705 298.0015 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: 5493.88, 0.00391638/step Wall: 5493.88, 0.00391638/step, 1.23823 hours remaining, 114.156250 MB of memory in use. ENERGY: 1361800 662.8975 1839.3324 1958.0016 102.9773 2.6735 -1072.8526 0.0000 0.0000 2758.3039 6251.3337 304.6624 3493.0298 6283.2366 298.0537 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: 5494.66, 0.00391711/step Wall: 5494.66, 0.00391711/step, 1.23824 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1362000 656.6053 1827.9438 1922.0733 124.7555 1.9447 -1047.5207 0.0000 0.0000 2731.0107 6216.8125 301.6477 3485.8019 6250.9411 299.0779 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: 5495.45, 0.00391585/step Wall: 5495.45, 0.00391585/step, 1.23763 hours remaining, 114.156250 MB of memory in use. ENERGY: 1362200 664.6785 1844.5421 1957.9086 105.6525 3.1707 -1062.1386 0.0000 0.0000 2780.3812 6294.1949 307.1008 3513.8137 6328.3170 300.8874 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: 5496.23, 0.00390894/step Wall: 5496.23, 0.00390894/step, 1.23522 hours remaining, 114.156250 MB of memory in use. ENERGY: 1362400 676.4281 1875.6980 1907.4491 111.5540 1.1891 -1055.9373 0.0000 0.0000 2703.2927 6219.6737 298.5862 3516.3810 6252.1016 300.6859 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: 5497.01, 0.00391725/step Wall: 5497.01, 0.00391725/step, 1.23763 hours remaining, 114.156250 MB of memory in use. ENERGY: 1362600 625.8954 1922.3345 1949.0533 115.7462 2.1006 -1056.1615 0.0000 0.0000 2682.7026 6241.6712 296.3120 3558.9686 6275.5541 300.9259 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: 5497.79, 0.00391531/step Wall: 5497.79, 0.00391531/step, 1.2368 hours remaining, 114.156250 MB of memory in use. ENERGY: 1362800 652.6341 1836.1130 1974.2558 100.1943 3.1965 -1078.8127 0.0000 0.0000 2796.1117 6283.6928 308.8383 3487.5811 6317.0774 301.2313 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: 5498.58, 0.00391647/step Wall: 5498.58, 0.00391647/step, 1.23695 hours remaining, 114.156250 MB of memory in use. ENERGY: 1363000 647.9030 1828.0999 1941.3724 99.5911 3.0309 -1063.8916 0.0000 0.0000 2812.6466 6268.7523 310.6647 3456.1057 6303.4978 303.1935 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: 5499.36, 0.00391703/step Wall: 5499.36, 0.00391703/step, 1.23691 hours remaining, 114.156250 MB of memory in use. ENERGY: 1363200 631.6669 1832.1473 1932.3574 104.7119 2.0108 -1054.0459 0.0000 0.0000 2775.0482 6223.8967 306.5118 3448.8485 6259.4042 302.3457 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: 5500.14, 0.00390959/step Wall: 5500.14, 0.00390959/step, 1.23434 hours remaining, 114.156250 MB of memory in use. ENERGY: 1363400 658.6863 1815.6007 1948.9372 114.0038 2.0264 -1064.3376 0.0000 0.0000 2746.8720 6221.7887 303.3997 3474.9168 6257.2224 300.3084 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: 5500.93, 0.0039174/step Wall: 5500.93, 0.0039174/step, 1.23659 hours remaining, 114.156250 MB of memory in use. ENERGY: 1363600 668.3203 1758.6886 1945.5079 117.8919 2.4422 -1091.0025 0.0000 0.0000 2719.5774 6121.4256 300.3849 3401.8483 6158.3670 297.0276 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: 5501.71, 0.0039165/step Wall: 5501.71, 0.0039165/step, 1.23609 hours remaining, 114.156250 MB of memory in use. ENERGY: 1363800 644.8961 1808.4282 1960.7660 114.0897 2.9004 -1114.8405 0.0000 0.0000 2699.4694 6115.7094 298.1639 3416.2400 6148.8590 296.7716 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: 5502.49, 0.00391721/step Wall: 5502.49, 0.00391721/step, 1.2361 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1364000 651.7442 1861.2988 1955.6032 106.7002 3.0280 -1075.8568 0.0000 0.0000 2643.0055 6145.5231 291.9273 3502.5176 6176.6160 296.6482 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: 5503.27, 0.00390991/step Wall: 5503.27, 0.00390991/step, 1.23358 hours remaining, 114.156250 MB of memory in use. ENERGY: 1364200 656.7017 1812.9193 1965.8214 126.4020 2.0780 -1053.8389 0.0000 0.0000 2645.9821 6156.0656 292.2561 3510.0835 6191.7911 294.8669 LDB: ============= START OF LOAD BALANCING ============== 5505.98 LDB: ============== END OF LOAD BALANCING =============== 5505.98 LDB: =============== DONE WITH MIGRATION ================ 5505.98 LDB: ============= START OF LOAD BALANCING ============== 5506.37 LDB: ============== END OF LOAD BALANCING =============== 5506.37 LDB: =============== DONE WITH MIGRATION ================ 5506.37 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: 5504.06, 0.00392038/step Wall: 5504.06, 0.00392038/step, 1.23666 hours remaining, 114.156250 MB of memory in use. ENERGY: 1364400 693.4016 1819.7448 1965.7350 99.5523 2.3571 -1086.5235 0.0000 0.0000 2636.3213 6130.5887 291.1890 3494.2674 6162.9714 294.5572 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: 5504.84, 0.00391549/step Wall: 5504.84, 0.00391549/step, 1.2349 hours remaining, 114.156250 MB of memory in use. ENERGY: 1364600 662.7255 1829.1695 1941.4777 106.7581 2.8841 -1054.6982 0.0000 0.0000 2677.0588 6165.3755 295.6886 3488.3167 6196.7427 296.2849 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: 5505.62, 0.00391412/step Wall: 5505.62, 0.00391412/step, 1.23425 hours remaining, 114.156250 MB of memory in use. ENERGY: 1364800 657.9345 1873.9113 1951.5497 102.7331 3.0592 -1119.7279 0.0000 0.0000 2713.1828 6182.6427 299.6786 3469.4598 6214.6966 299.7055 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: 5506.41, 0.00391526/step Wall: 5506.41, 0.00391526/step, 1.2344 hours remaining, 114.156250 MB of memory in use. ENERGY: 1365000 657.8153 1874.0179 1927.4357 113.3862 3.1412 -1051.4841 0.0000 0.0000 2660.8385 6185.1506 293.8970 3524.3121 6214.0796 298.6921 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: 5507.19, 0.00390745/step Wall: 5507.19, 0.00390745/step, 1.23171 hours remaining, 114.156250 MB of memory in use. ENERGY: 1365200 654.1129 1833.9131 1935.8237 96.9347 3.2265 -1078.7158 0.0000 0.0000 2759.8264 6205.1215 304.8305 3445.2951 6239.2614 299.0264 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: 5507.97, 0.00391322/step Wall: 5507.97, 0.00391322/step, 1.23332 hours remaining, 114.156250 MB of memory in use. ENERGY: 1365400 676.6956 1900.7767 1945.5450 118.2828 3.7409 -1084.3313 0.0000 0.0000 2732.1715 6292.8811 301.7760 3560.7096 6325.4183 301.2251 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: 5508.75, 0.00391366/step Wall: 5508.75, 0.00391366/step, 1.23324 hours remaining, 114.156250 MB of memory in use. ENERGY: 1365600 649.7671 1872.6535 1973.5124 97.2257 2.8811 -1063.5670 0.0000 0.0000 2729.6347 6262.1076 301.4958 3532.4729 6298.7540 304.6559 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: 5509.54, 0.00391231/step Wall: 5509.54, 0.00391231/step, 1.23259 hours remaining, 114.156250 MB of memory in use. ENERGY: 1365800 714.6535 1832.5409 1965.3714 110.5245 2.3651 -1083.4475 0.0000 0.0000 2714.1758 6256.1837 299.7883 3542.0079 6288.5053 301.5285 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: 5510.32, 0.00390805/step Wall: 5510.32, 0.00390805/step, 1.23104 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1366000 686.1074 1920.9069 1939.7725 113.6500 2.3740 -1082.0651 0.0000 0.0000 2684.5857 6265.3313 296.5200 3580.7456 6297.3849 303.4695 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: 5511.1, 0.00391293/step Wall: 5511.1, 0.00391292/step, 1.23235 hours remaining, 114.156250 MB of memory in use. ENERGY: 1366200 662.5378 1914.3688 1939.1574 94.6767 2.6971 -1054.5999 0.0000 0.0000 2739.5608 6298.3988 302.5921 3558.8380 6332.9925 304.2122 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: 5511.88, 0.00391341/step Wall: 5511.88, 0.00391342/step, 1.23229 hours remaining, 114.156250 MB of memory in use. ENERGY: 1366400 691.0321 1881.6866 1963.1876 112.7373 1.7358 -1065.8811 0.0000 0.0000 2721.3520 6305.8503 300.5809 3584.4983 6338.2153 305.4905 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: 5512.67, 0.00391374/step Wall: 5512.67, 0.00391374/step, 1.23218 hours remaining, 114.156250 MB of memory in use. ENERGY: 1366600 675.7599 1879.9611 1956.6615 105.7377 2.5694 -1094.4243 0.0000 0.0000 2704.5748 6230.8401 298.7278 3526.2653 6263.0515 302.8661 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: 5513.45, 0.00391334/step Wall: 5513.45, 0.00391333/step, 1.23183 hours remaining, 114.156250 MB of memory in use. ENERGY: 1366800 675.6582 1862.4112 1938.5995 111.8989 2.4542 -1067.4950 0.0000 0.0000 2733.5543 6257.0814 301.9287 3523.5270 6287.3911 299.0994 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: 5514.23, 0.00390801/step Wall: 5514.23, 0.00390802/step, 1.22994 hours remaining, 114.156250 MB of memory in use. ENERGY: 1367000 657.4560 1900.9183 1971.0089 101.4293 1.7839 -1080.3639 0.0000 0.0000 2730.9725 6283.2051 301.6435 3552.2326 6318.0198 301.1916 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: 5515.01, 0.00391452/step Wall: 5515.01, 0.00391452/step, 1.23177 hours remaining, 114.156250 MB of memory in use. ENERGY: 1367200 661.2326 1870.1910 1953.6248 109.3841 1.9712 -1063.5088 0.0000 0.0000 2723.3737 6256.2686 300.8042 3532.8948 6290.0591 302.3863 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: 5515.8, 0.00391511/step Wall: 5515.8, 0.00391511/step, 1.23174 hours remaining, 114.156250 MB of memory in use. ENERGY: 1367400 703.6168 1809.1012 1941.2179 105.6294 1.6785 -1059.8540 0.0000 0.0000 2752.2041 6253.5939 303.9886 3501.3898 6286.8197 302.4812 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: 5516.58, 0.00391504/step Wall: 5516.58, 0.00391504/step, 1.2315 hours remaining, 114.156250 MB of memory in use. ENERGY: 1367600 645.6712 1871.8305 1939.1855 109.3718 2.4723 -1070.2928 0.0000 0.0000 2689.9342 6188.1727 297.1107 3498.2385 6220.1495 299.9182 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: 5517.36, 0.00391254/step Wall: 5517.36, 0.00391254/step, 1.23049 hours remaining, 114.156250 MB of memory in use. ENERGY: 1367800 630.4778 1823.4229 1930.9145 106.8899 3.0825 -1080.7411 0.0000 0.0000 2765.1931 6179.2397 305.4233 3414.0466 6212.9432 297.7609 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: 5518.15, 0.00391772/step Wall: 5518.15, 0.00391772/step, 1.23191 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1368000 671.3534 1882.2960 1928.9775 110.0558 2.4172 -1090.4328 0.0000 0.0000 2660.8331 6165.5003 293.8964 3504.6672 6197.0560 298.3606 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: 5518.93, 0.00391622/step Wall: 5518.93, 0.00391622/step, 1.23122 hours remaining, 114.156250 MB of memory in use. ENERGY: 1368200 650.9120 1820.7938 1934.7916 108.0032 1.4137 -1038.4484 0.0000 0.0000 2653.1717 6130.6376 293.0502 3477.4659 6160.9040 296.3206 LDB: ============= START OF LOAD BALANCING ============== 5521.63 LDB: ============== END OF LOAD BALANCING =============== 5521.63 LDB: =============== DONE WITH MIGRATION ================ 5521.63 LDB: ============= START OF LOAD BALANCING ============== 5522.02 LDB: ============== END OF LOAD BALANCING =============== 5522.02 LDB: =============== DONE WITH MIGRATION ================ 5522.02 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: 5519.71, 0.00391767/step Wall: 5519.71, 0.00391767/step, 1.23145 hours remaining, 114.156250 MB of memory in use. ENERGY: 1368400 684.0175 1857.3174 1959.8029 114.0680 2.0410 -1073.9351 0.0000 0.0000 2651.5858 6194.8975 292.8750 3543.3117 6224.6476 296.8170 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: 5520.5, 0.00391599/step Wall: 5520.5, 0.00391599/step, 1.23071 hours remaining, 114.156250 MB of memory in use. ENERGY: 1368600 654.2008 1827.7740 1952.6108 105.7941 1.4962 -1078.5332 0.0000 0.0000 2727.0834 6190.4262 301.2140 3463.3428 6223.2018 297.6050 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: 5521.28, 0.00391028/step Wall: 5521.28, 0.00391028/step, 1.2287 hours remaining, 114.156250 MB of memory in use. ENERGY: 1368800 652.2940 1843.2514 1970.2604 114.9447 2.6342 -1087.0150 0.0000 0.0000 2695.3170 6191.6869 297.7053 3496.3698 6226.3965 297.5190 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: 5522.06, 0.00391685/step Wall: 5522.06, 0.00391685/step, 1.23055 hours remaining, 114.156250 MB of memory in use. ENERGY: 1369000 655.8652 1810.3357 1968.6245 109.9685 3.3919 -1092.8677 0.0000 0.0000 2721.0000 6176.3182 300.5420 3455.3182 6209.7308 297.4840 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: 5522.84, 0.0039174/step Wall: 5522.84, 0.0039174/step, 1.2305 hours remaining, 114.156250 MB of memory in use. ENERGY: 1369200 643.4760 1864.7498 1943.2208 107.1564 3.7449 -1103.9230 0.0000 0.0000 2780.4358 6238.8607 307.1069 3458.4249 6273.0984 297.8981 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: 5523.63, 0.00391726/step Wall: 5523.63, 0.00391726/step, 1.23024 hours remaining, 114.156250 MB of memory in use. ENERGY: 1369400 662.6673 1912.1461 1940.7712 116.0711 2.2848 -1082.6413 0.0000 0.0000 2705.0856 6256.3847 298.7842 3551.2991 6288.1712 301.6994 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: 5524.41, 0.00391998/step Wall: 5524.41, 0.00391997/step, 1.23087 hours remaining, 114.156250 MB of memory in use. ENERGY: 1369600 660.7849 1863.6912 1991.0046 111.5304 3.5216 -1075.3663 0.0000 0.0000 2719.0563 6274.2226 300.3273 3555.1664 6306.2478 303.8264 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: 5525.19, 0.00391104/step Wall: 5525.19, 0.00391104/step, 1.22785 hours remaining, 114.156250 MB of memory in use. ENERGY: 1369800 708.3031 1860.0092 1990.8659 90.2388 1.8279 -1083.0063 0.0000 0.0000 2727.6477 6295.8864 301.2763 3568.2387 6329.1503 302.8390 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: 5525.98, 0.00392119/step Wall: 5525.98, 0.00392119/step, 1.23082 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1370000 674.5466 1870.5137 1941.1385 106.4712 1.9984 -1039.2787 0.0000 0.0000 2741.6114 6297.0011 302.8186 3555.3897 6328.4018 303.1330 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1370000 WRITING COORDINATES TO DCD FILE MD.1.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: 5526.84, 0.00431072/step Wall: 5526.84, 0.00431072/step, 1.35285 hours remaining, 114.156250 MB of memory in use. ENERGY: 1370200 636.7944 1886.1832 1934.1385 111.9894 3.1129 -1063.6832 0.0000 0.0000 2763.5310 6272.0663 305.2397 3508.5353 6306.9408 303.4656 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: 5527.62, 0.0039195/step Wall: 5527.62, 0.0039195/step, 1.22985 hours remaining, 114.156250 MB of memory in use. ENERGY: 1370400 682.3331 1864.7520 1952.7439 112.2738 4.1083 -1124.2524 0.0000 0.0000 2709.9368 6201.8955 299.3201 3491.9587 6233.3368 301.4728 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: 5528.41, 0.00393301/step Wall: 5528.41, 0.00393301/step, 1.23387 hours remaining, 114.156250 MB of memory in use. ENERGY: 1370600 678.8256 1847.7447 1956.3752 95.6498 2.3145 -1062.5090 0.0000 0.0000 2749.6958 6268.0967 303.7116 3518.4009 6301.8922 300.7247 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: 5529.19, 0.00391643/step Wall: 5529.19, 0.00391643/step, 1.22845 hours remaining, 114.156250 MB of memory in use. ENERGY: 1370800 660.6745 1841.8312 1958.7601 109.1769 3.0980 -1061.5422 0.0000 0.0000 2684.1000 6196.0985 296.4663 3511.9985 6227.4508 302.2664 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: 5529.98, 0.00392196/step Wall: 5529.98, 0.00392196/step, 1.22997 hours remaining, 114.156250 MB of memory in use. ENERGY: 1371000 645.9646 1844.9319 1922.4632 106.6067 2.8861 -1035.8516 0.0000 0.0000 2695.1171 6182.1178 297.6832 3487.0007 6218.3059 297.4878 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: 5530.76, 0.00392092/step Wall: 5530.76, 0.00392092/step, 1.22943 hours remaining, 114.156250 MB of memory in use. ENERGY: 1371200 636.7352 1826.8535 1923.7789 85.9459 2.8872 -1026.0892 0.0000 0.0000 2718.4592 6168.5707 300.2614 3450.1115 6198.8808 297.4227 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: 5531.55, 0.00391927/step Wall: 5531.55, 0.00391927/step, 1.22869 hours remaining, 114.156250 MB of memory in use. ENERGY: 1371400 640.7979 1810.0261 1932.5355 106.3700 2.7450 -1086.7974 0.0000 0.0000 2744.5224 6150.1995 303.1401 3405.6771 6184.7624 297.5449 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: 5532.33, 0.00391361/step Wall: 5532.33, 0.00391361/step, 1.2267 hours remaining, 114.156250 MB of memory in use. ENERGY: 1371600 628.5510 1817.7119 1928.4688 110.8294 3.3759 -1036.4880 0.0000 0.0000 2662.1182 6114.5672 294.0384 3452.4490 6148.7774 294.4815 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: 5533.11, 0.00391997/step Wall: 5533.11, 0.00391997/step, 1.22847 hours remaining, 114.156250 MB of memory in use. ENERGY: 1371800 629.3065 1829.0284 1944.8418 99.1043 2.7980 -1033.3883 0.0000 0.0000 2671.8673 6143.5580 295.1152 3471.6907 6177.8393 293.0770 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: 5533.9, 0.00392062/step Wall: 5533.9, 0.00392062/step, 1.22846 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1372000 621.9101 1786.2392 1983.4945 102.6331 1.7517 -1080.8853 0.0000 0.0000 2702.9411 6118.0844 298.5474 3415.1433 6153.6502 291.7564 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: 5534.68, 0.00392123/step Wall: 5534.68, 0.00392123/step, 1.22844 hours remaining, 114.156250 MB of memory in use. ENERGY: 1372200 638.0263 1803.3633 1943.8418 105.2766 1.7089 -1064.0187 0.0000 0.0000 2726.6021 6154.8003 301.1608 3428.1982 6186.9033 294.9106 LDB: ============= START OF LOAD BALANCING ============== 5537.38 LDB: ============== END OF LOAD BALANCING =============== 5537.38 LDB: =============== DONE WITH MIGRATION ================ 5537.38 LDB: ============= START OF LOAD BALANCING ============== 5537.78 LDB: ============== END OF LOAD BALANCING =============== 5537.78 LDB: =============== DONE WITH MIGRATION ================ 5537.78 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: 5535.47, 0.00392588/step Wall: 5535.47, 0.00392588/step, 1.22967 hours remaining, 114.156250 MB of memory in use. ENERGY: 1372400 646.8254 1847.1866 1954.8742 107.7032 0.8390 -1070.0384 0.0000 0.0000 2651.8059 6139.1959 292.8994 3487.3900 6171.2110 295.4805 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: 5536.25, 0.00391364/step Wall: 5536.25, 0.00391364/step, 1.22562 hours remaining, 114.156250 MB of memory in use. ENERGY: 1372600 624.2987 1876.5783 1947.1672 121.2499 1.2275 -1022.8816 0.0000 0.0000 2594.7653 6142.4054 286.5991 3547.6400 6170.2038 294.2835 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: 5537.03, 0.00392176/step Wall: 5537.03, 0.00392176/step, 1.22795 hours remaining, 114.156250 MB of memory in use. ENERGY: 1372800 629.0021 1879.6553 1934.1575 89.1384 1.0126 -1019.6462 0.0000 0.0000 2668.6016 6181.9212 294.7545 3513.3196 6215.4067 296.5122 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: 5537.82, 0.00392167/step Wall: 5537.82, 0.00392167/step, 1.2277 hours remaining, 114.156250 MB of memory in use. ENERGY: 1373000 654.1041 1861.5524 1945.6393 97.4250 0.9820 -1080.7735 0.0000 0.0000 2678.7596 6157.6889 295.8765 3478.9294 6189.6851 296.8789 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: 5538.6, 0.003922/step Wall: 5538.6, 0.003922/step, 1.22759 hours remaining, 114.156250 MB of memory in use. ENERGY: 1373200 639.1927 1838.1053 1957.6425 118.1967 0.8246 -1071.5909 0.0000 0.0000 2694.5029 6176.8738 297.6153 3482.3709 6207.1487 296.3681 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: 5539.39, 0.00391284/step Wall: 5539.39, 0.00391284/step, 1.2245 hours remaining, 114.156250 MB of memory in use. ENERGY: 1373400 614.8855 1910.6269 1960.6590 97.1295 2.8038 -1079.9562 0.0000 0.0000 2713.6177 6219.7662 299.7266 3506.1485 6250.8776 298.1990 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: 5540.17, 0.00391887/step Wall: 5540.17, 0.00391887/step, 1.22617 hours remaining, 114.156250 MB of memory in use. ENERGY: 1373600 671.0812 1827.9214 1952.3027 116.0389 2.1270 -1062.7187 0.0000 0.0000 2670.6113 6177.3638 294.9765 3506.7525 6209.3431 297.8188 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: 5540.95, 0.00391954/step Wall: 5540.95, 0.00391954/step, 1.22616 hours remaining, 114.156250 MB of memory in use. ENERGY: 1373800 655.6834 1836.5860 1930.8351 120.8393 3.1846 -1100.8417 0.0000 0.0000 2692.3882 6138.6749 297.3818 3446.2868 6171.2688 295.4697 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: 5541.74, 0.00392083/step Wall: 5541.74, 0.00392083/step, 1.22635 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1374000 621.5497 1823.6641 1943.4169 96.8028 2.4802 -1076.0730 0.0000 0.0000 2662.9057 6074.7464 294.1253 3411.8407 6106.5011 294.1417 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: 5542.52, 0.00392006/step Wall: 5542.52, 0.00392006/step, 1.22589 hours remaining, 114.156250 MB of memory in use. ENERGY: 1374200 619.0495 1825.0977 1933.2470 125.9923 1.4442 -1104.5097 0.0000 0.0000 2676.9581 6077.2791 295.6775 3400.3210 6109.3123 294.4215 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: 5543.3, 0.00391281/step Wall: 5543.3, 0.00391281/step, 1.2234 hours remaining, 114.156250 MB of memory in use. ENERGY: 1374400 634.6078 1868.5994 1943.9103 113.3692 1.5860 -1057.9583 0.0000 0.0000 2605.0859 6109.2003 287.7390 3504.1144 6139.4688 293.0416 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: 5544.09, 0.00392035/step Wall: 5544.09, 0.00392035/step, 1.22554 hours remaining, 114.156250 MB of memory in use. ENERGY: 1374600 656.6314 1808.7752 1957.9757 122.2331 2.3586 -1099.0067 0.0000 0.0000 2687.9243 6136.8918 296.8887 3448.9674 6171.5464 292.5345 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: 5544.87, 0.0039211/step Wall: 5544.87, 0.0039211/step, 1.22556 hours remaining, 114.156250 MB of memory in use. ENERGY: 1374800 649.0911 1814.1621 1952.8806 96.6921 1.4072 -1074.9096 0.0000 0.0000 2757.4673 6196.7908 304.5699 3439.3235 6229.1045 297.8003 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: 5545.66, 0.00391904/step Wall: 5545.66, 0.00391904/step, 1.2247 hours remaining, 114.156250 MB of memory in use. ENERGY: 1375000 665.3936 1854.7261 1950.8538 99.8588 2.0617 -1077.2480 0.0000 0.0000 2714.5802 6210.2262 299.8329 3495.6460 6244.9412 298.9858 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: 5546.44, 0.00392078/step Wall: 5546.44, 0.00392078/step, 1.22502 hours remaining, 114.156250 MB of memory in use. ENERGY: 1375200 656.4175 1856.0857 1940.3611 115.6240 2.6197 -1079.6667 0.0000 0.0000 2730.9939 6222.4353 301.6459 3491.4414 6254.2024 299.3522 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: 5547.22, 0.00391308/step Wall: 5547.22, 0.00391308/step, 1.2224 hours remaining, 114.156250 MB of memory in use. ENERGY: 1375400 662.2395 1832.2893 1954.2487 106.2748 3.1348 -1017.7059 0.0000 0.0000 2677.8191 6218.3002 295.7726 3540.4812 6248.7289 299.9396 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: 5548.01, 0.0039203/step Wall: 5548.01, 0.0039203/step, 1.22444 hours remaining, 114.156250 MB of memory in use. ENERGY: 1375600 667.4548 1833.3364 1933.6608 106.4312 1.5837 -1051.1881 0.0000 0.0000 2757.4626 6248.7415 304.5694 3491.2789 6283.0195 300.2221 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: 5548.79, 0.00392102/step Wall: 5548.79, 0.00392102/step, 1.22445 hours remaining, 114.156250 MB of memory in use. ENERGY: 1375800 661.5211 1841.2673 1983.3175 106.3686 0.6476 -1083.1603 0.0000 0.0000 2756.6055 6266.5672 304.4748 3509.9617 6297.4401 301.0873 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: 5549.58, 0.00392094/step Wall: 5549.58, 0.00392094/step, 1.22421 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1376000 662.3492 1859.3002 1961.9751 109.0041 1.6216 -1054.6798 0.0000 0.0000 2707.8314 6247.4019 299.0875 3539.5705 6281.1973 303.1021 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: 5550.36, 0.00391344/step Wall: 5550.36, 0.00391344/step, 1.22165 hours remaining, 114.156250 MB of memory in use. ENERGY: 1376200 649.4963 1859.5205 1922.6460 114.3966 2.6281 -1053.2883 0.0000 0.0000 2657.0337 6152.4328 293.4768 3495.3991 6184.8832 298.5755 LDB: ============= START OF LOAD BALANCING ============== 5553.06 LDB: ============== END OF LOAD BALANCING =============== 5553.06 LDB: =============== DONE WITH MIGRATION ================ 5553.06 LDB: ============= START OF LOAD BALANCING ============== 5553.45 LDB: ============== END OF LOAD BALANCING =============== 5553.45 LDB: =============== DONE WITH MIGRATION ================ 5553.45 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: 5551.14, 0.00392403/step Wall: 5551.14, 0.00392403/step, 1.22473 hours remaining, 114.156250 MB of memory in use. ENERGY: 1376400 663.4381 1828.2739 1933.7983 96.6017 2.9301 -1094.0548 0.0000 0.0000 2779.4682 6210.4555 307.0000 3430.9873 6246.3828 297.7481 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: 5551.93, 0.003919/step Wall: 5551.93, 0.003919/step, 1.22295 hours remaining, 114.156250 MB of memory in use. ENERGY: 1376600 677.1539 1838.6253 1913.7346 98.4273 4.2964 -1059.8323 0.0000 0.0000 2769.6416 6242.0468 305.9146 3472.4053 6277.2013 301.0637 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: 5552.71, 0.0039203/step Wall: 5552.71, 0.0039203/step, 1.22313 hours remaining, 114.156250 MB of memory in use. ENERGY: 1376800 667.2035 1866.7813 1950.1044 114.3681 2.7666 -1083.7985 0.0000 0.0000 2718.3379 6235.7635 300.2480 3517.4255 6269.6190 299.7223 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: 5553.49, 0.00392042/step Wall: 5553.49, 0.00392042/step, 1.22295 hours remaining, 114.156250 MB of memory in use. ENERGY: 1377000 616.2847 1879.0702 1947.0811 109.2445 3.5550 -1046.8158 0.0000 0.0000 2766.0689 6274.4887 305.5200 3508.4197 6311.4324 299.8555 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: 5554.28, 0.00391376/step Wall: 5554.28, 0.00391376/step, 1.22066 hours remaining, 114.156250 MB of memory in use. ENERGY: 1377200 648.9496 1859.9580 1952.0628 101.2409 3.2221 -1073.7639 0.0000 0.0000 2720.1264 6211.7959 300.4455 3491.6694 6248.0767 301.3188 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: 5555.06, 0.00392245/step Wall: 5555.06, 0.00392245/step, 1.22315 hours remaining, 114.156250 MB of memory in use. ENERGY: 1377400 693.1224 1834.8518 1967.5752 127.3413 2.1803 -1090.4430 0.0000 0.0000 2734.0115 6268.6396 301.9792 3534.6280 6303.3907 302.0474 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: 5555.85, 0.00392228/step Wall: 5555.85, 0.00392228/step, 1.22288 hours remaining, 114.156250 MB of memory in use. ENERGY: 1377600 656.8803 1883.4112 1947.8242 112.1531 2.8716 -1098.5946 0.0000 0.0000 2790.3509 6294.8967 308.2020 3504.5458 6327.1155 303.4204 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: 5556.63, 0.00392169/step Wall: 5556.63, 0.00392169/step, 1.22248 hours remaining, 114.156250 MB of memory in use. ENERGY: 1377800 649.2121 1829.6929 1938.6886 112.7145 2.3486 -1057.6740 0.0000 0.0000 2784.5055 6259.4883 307.5564 3474.9828 6296.0385 303.3259 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: 5557.41, 0.00391449/step Wall: 5557.41, 0.00391449/step, 1.22002 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1378000 649.2908 1827.0039 1988.0713 113.2342 2.7241 -1050.8567 0.0000 0.0000 2666.4209 6195.8885 294.5136 3529.4676 6229.5972 300.1685 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: 5558.2, 0.00392534/step Wall: 5558.2, 0.00392534/step, 1.22318 hours remaining, 114.156250 MB of memory in use. ENERGY: 1378200 680.8991 1880.9047 1990.4745 101.8598 1.6771 -1075.4900 0.0000 0.0000 2651.1663 6231.4917 292.8287 3580.3253 6263.2905 299.0148 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: 5558.98, 0.00391982/step Wall: 5558.98, 0.00391982/step, 1.22124 hours remaining, 114.156250 MB of memory in use. ENERGY: 1378400 688.9563 1841.4456 1968.9035 104.0662 3.1021 -1108.9059 0.0000 0.0000 2720.1617 6217.7294 300.4494 3497.5677 6250.6030 300.0553 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: 5559.77, 0.00391927/step Wall: 5559.77, 0.00391927/step, 1.22085 hours remaining, 114.156250 MB of memory in use. ENERGY: 1378600 647.1087 1832.8690 1990.9823 103.4235 3.7387 -1048.8335 0.0000 0.0000 2692.3380 6221.6267 297.3762 3529.2887 6256.3666 300.5821 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: 5560.55, 0.00391914/step Wall: 5560.55, 0.00391914/step, 1.22059 hours remaining, 114.156250 MB of memory in use. ENERGY: 1378800 678.9145 1875.4385 1965.5402 103.7047 2.9590 -1081.2403 0.0000 0.0000 2654.1274 6199.4439 293.1558 3545.3165 6228.8168 297.5449 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: 5561.33, 0.00391213/step Wall: 5561.33, 0.00391213/step, 1.21819 hours remaining, 114.156250 MB of memory in use. ENERGY: 1379000 660.5118 1894.8812 1950.1652 119.9803 3.8261 -1086.7623 0.0000 0.0000 2630.5569 6173.1591 290.5523 3542.6022 6203.8238 297.1938 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: 5562.12, 0.00391528/step Wall: 5562.12, 0.00391528/step, 1.21896 hours remaining, 114.156250 MB of memory in use. ENERGY: 1379200 690.2319 1805.2907 1964.5970 125.2566 3.6109 -1071.5892 0.0000 0.0000 2712.1548 6229.5528 299.5651 3517.3979 6262.7444 298.7990 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: 5562.9, 0.00391525/step Wall: 5562.9, 0.00391525/step, 1.21873 hours remaining, 114.156250 MB of memory in use. ENERGY: 1379400 664.2965 1870.0256 1958.6962 103.6049 2.5825 -1078.8016 0.0000 0.0000 2702.2278 6222.6319 298.4686 3520.4041 6253.5551 300.4697 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: 5563.68, 0.00391686/step Wall: 5563.68, 0.00391686/step, 1.21902 hours remaining, 114.156250 MB of memory in use. ENERGY: 1379600 688.9764 1839.0256 1944.5153 119.3683 4.0173 -1093.0783 0.0000 0.0000 2683.2825 6186.1070 296.3760 3502.8245 6217.2735 298.0923 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: 5564.46, 0.00391252/step Wall: 5564.46, 0.00391252/step, 1.21744 hours remaining, 114.156250 MB of memory in use. ENERGY: 1379800 657.1841 1830.6972 1974.7202 112.4762 3.7318 -1055.5841 0.0000 0.0000 2685.7693 6208.9946 296.6507 3523.2253 6242.2982 298.4739 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: 5565.25, 0.00391002/step Wall: 5565.25, 0.00391002/step, 1.21645 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1380000 672.4070 1845.5331 1974.1467 110.9904 2.7547 -1133.1435 0.0000 0.0000 2711.0964 6183.7848 299.4481 3472.6884 6216.9428 297.7008 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1380000 WRITING COORDINATES TO DCD FILE MD.1.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: 5566.06, 0.00408069/step Wall: 5566.06, 0.00408069/step, 1.26932 hours remaining, 114.156250 MB of memory in use. ENERGY: 1380200 671.1351 1859.8174 1997.5496 119.7427 2.1005 -1088.5356 0.0000 0.0000 2629.1997 6191.0093 290.4024 3561.8096 6223.0400 299.2844 LDB: ============= START OF LOAD BALANCING ============== 5568.76 LDB: ============== END OF LOAD BALANCING =============== 5568.76 LDB: =============== DONE WITH MIGRATION ================ 5568.76 LDB: ============= START OF LOAD BALANCING ============== 5569.16 LDB: ============== END OF LOAD BALANCING =============== 5569.16 LDB: =============== DONE WITH MIGRATION ================ 5569.16 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: 5566.85, 0.00392061/step Wall: 5566.85, 0.00392061/step, 1.21931 hours remaining, 114.156250 MB of memory in use. ENERGY: 1380400 654.7289 1875.6156 1964.4079 110.4970 0.0212 -1052.7566 0.0000 0.0000 2654.5163 6207.0304 293.1987 3552.5141 6238.7038 297.7736 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: 5567.63, 0.00391502/step Wall: 5567.63, 0.00391502/step, 1.21735 hours remaining, 114.156250 MB of memory in use. ENERGY: 1380600 671.7560 1810.9477 1966.5227 105.5871 2.8837 -1048.3993 0.0000 0.0000 2692.4314 6201.7294 297.3866 3509.2979 6232.2094 300.0249 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: 5568.41, 0.00391078/step Wall: 5568.41, 0.00391078/step, 1.21582 hours remaining, 114.156250 MB of memory in use. ENERGY: 1380800 614.8008 1825.5634 1927.2228 114.7614 1.8517 -1040.7960 0.0000 0.0000 2726.0838 6169.4879 301.1035 3443.4041 6201.5287 297.9145 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: 5569.2, 0.00391336/step Wall: 5569.2, 0.00391336/step, 1.2164 hours remaining, 114.156250 MB of memory in use. ENERGY: 1381000 660.6193 1849.6734 1969.4098 123.8868 1.5468 -1060.7930 0.0000 0.0000 2641.9090 6186.2522 291.8062 3544.3432 6217.4112 297.4071 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: 5569.98, 0.0039141/step Wall: 5569.98, 0.0039141/step, 1.21642 hours remaining, 114.156250 MB of memory in use. ENERGY: 1381200 673.5697 1837.7168 1955.3027 105.7731 0.9093 -1069.7591 0.0000 0.0000 2709.6069 6213.1194 299.2836 3503.5125 6245.8429 297.1090 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: 5570.76, 0.00391529/step Wall: 5570.76, 0.00391529/step, 1.21657 hours remaining, 114.156250 MB of memory in use. ENERGY: 1381400 651.3197 1906.7469 1958.4035 114.7802 2.1744 -1067.6980 0.0000 0.0000 2748.1508 6313.8775 303.5409 3565.7267 6347.4590 301.2376 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: 5571.54, 0.00391686/step Wall: 5571.54, 0.00391686/step, 1.21684 hours remaining, 114.156250 MB of memory in use. ENERGY: 1381600 650.6734 1886.4136 1954.7151 114.8656 1.8992 -1056.6733 0.0000 0.0000 2750.2822 6302.1758 303.7763 3551.8935 6337.8170 304.6191 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: 5572.33, 0.00391099/step Wall: 5572.33, 0.00391099/step, 1.2148 hours remaining, 114.156250 MB of memory in use. ENERGY: 1381800 642.5501 1861.7266 1970.4323 108.6614 3.4532 -1038.8260 0.0000 0.0000 2715.2340 6263.2316 299.9052 3547.9976 6296.3778 303.2318 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: 5573.51, 0.00589422/step Wall: 5573.51, 0.00589422/step, 1.83048 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1382000 624.9927 1877.6100 1937.6584 105.8621 2.5548 -1021.2878 0.0000 0.0000 2733.9091 6261.2994 301.9679 3527.3902 6295.2523 299.7067 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: 5574.29, 0.00394754/step Wall: 5574.29, 0.00394754/step, 1.22571 hours remaining, 114.156250 MB of memory in use. ENERGY: 1382200 653.8480 1903.4323 1937.9660 120.9504 2.1103 -1053.6850 0.0000 0.0000 2696.4079 6261.0298 297.8258 3564.6219 6292.3576 301.9137 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: 5575.08, 0.00391489/step Wall: 5575.08, 0.00391489/step, 1.21536 hours remaining, 114.156250 MB of memory in use. ENERGY: 1382400 662.9588 1841.8571 1938.0190 103.3608 3.0732 -1063.6587 0.0000 0.0000 2714.8588 6200.4689 299.8637 3485.6102 6234.0938 301.9831 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: 5575.86, 0.00391438/step Wall: 5575.86, 0.00391438/step, 1.21498 hours remaining, 114.156250 MB of memory in use. ENERGY: 1382600 701.1436 1850.2114 1974.4549 109.7509 0.9199 -1071.8254 0.0000 0.0000 2682.5188 6247.1742 296.2917 3564.6553 6277.7835 298.1122 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: 5576.64, 0.00391572/step Wall: 5576.64, 0.00391572/step, 1.21518 hours remaining, 114.156250 MB of memory in use. ENERGY: 1382800 644.3200 1837.8070 1963.3136 99.9596 3.3999 -1081.9983 0.0000 0.0000 2754.7507 6221.5525 304.2699 3466.8018 6253.6990 301.9748 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: 5577.43, 0.00390995/step Wall: 5577.43, 0.00390995/step, 1.21317 hours remaining, 114.156250 MB of memory in use. ENERGY: 1383000 667.8615 1833.1872 1953.1522 98.3681 0.5905 -1056.1739 0.0000 0.0000 2742.5047 6239.4902 302.9173 3496.9855 6275.6871 300.5556 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: 5578.21, 0.00391438/step Wall: 5578.21, 0.00391438/step, 1.21433 hours remaining, 114.156250 MB of memory in use. ENERGY: 1383200 645.8820 1861.0483 1956.5819 112.0948 2.5239 -1057.4978 0.0000 0.0000 2691.0597 6211.6929 297.2350 3520.6332 6244.9169 300.2534 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: 5578.99, 0.00391637/step Wall: 5578.99, 0.00391637/step, 1.21473 hours remaining, 114.156250 MB of memory in use. ENERGY: 1383400 644.7051 1838.2454 1975.0670 109.5386 2.1079 -1051.1387 0.0000 0.0000 2729.5700 6248.0954 301.4886 3518.5253 6281.6114 299.9961 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: 5579.78, 0.00391537/step Wall: 5579.78, 0.00391537/step, 1.2142 hours remaining, 114.156250 MB of memory in use. ENERGY: 1383600 674.4507 1820.0923 1951.7093 110.5272 1.6009 -1075.9632 0.0000 0.0000 2709.8788 6192.2960 299.3137 3482.4172 6225.2330 298.0438 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: 5580.56, 0.00391613/step Wall: 5580.56, 0.00391613/step, 1.21422 hours remaining, 114.156250 MB of memory in use. ENERGY: 1383800 623.0929 1840.3849 1944.6283 101.4832 1.9100 -1060.9234 0.0000 0.0000 2701.0209 6151.5969 298.3353 3450.5760 6184.7405 297.0475 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: 5581.34, 0.00391001/step Wall: 5581.34, 0.00391001/step, 1.2121 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1384000 653.4120 1744.6858 1969.6164 101.0896 3.0754 -1099.6105 0.0000 0.0000 2765.3283 6137.5969 305.4382 3372.2687 6173.7939 297.7489 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: 5582.12, 0.00391544/step Wall: 5582.12, 0.00391544/step, 1.21357 hours remaining, 114.156250 MB of memory in use. ENERGY: 1384200 657.1433 1824.4682 1933.6962 106.2452 2.2361 -1092.7495 0.0000 0.0000 2715.8586 6146.8982 299.9742 3431.0396 6181.7676 296.3269 LDB: ============= START OF LOAD BALANCING ============== 5584.82 LDB: ============== END OF LOAD BALANCING =============== 5584.82 LDB: =============== DONE WITH MIGRATION ================ 5584.82 LDB: ============= START OF LOAD BALANCING ============== 5585.22 LDB: ============== END OF LOAD BALANCING =============== 5585.22 LDB: =============== DONE WITH MIGRATION ================ 5585.22 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: 5582.91, 0.00392066/step Wall: 5582.91, 0.00392066/step, 1.21497 hours remaining, 114.156250 MB of memory in use. ENERGY: 1384400 682.2169 1824.9575 1940.8140 105.2819 1.7790 -1086.9882 0.0000 0.0000 2682.1358 6150.1969 296.2494 3468.0611 6181.9287 297.0105 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: 5583.69, 0.00391412/step Wall: 5583.69, 0.00391412/step, 1.21273 hours remaining, 114.156250 MB of memory in use. ENERGY: 1384600 630.3860 1827.2784 1956.4564 116.4925 4.1789 -1087.5109 0.0000 0.0000 2717.2674 6164.5487 300.1298 3447.2813 6199.5201 296.7038 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: 5584.47, 0.00391075/step Wall: 5584.47, 0.00391075/step, 1.21146 hours remaining, 114.156250 MB of memory in use. ENERGY: 1384800 657.5747 1811.9688 1948.9082 107.2737 3.4153 -1049.6371 0.0000 0.0000 2620.9603 6100.4640 289.4924 3479.5037 6131.1636 294.3090 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: 5585.26, 0.0039163/step Wall: 5585.26, 0.0039163/step, 1.21297 hours remaining, 114.156250 MB of memory in use. ENERGY: 1385000 638.1625 1869.6348 1936.4589 110.5529 3.4982 -1063.2228 0.0000 0.0000 2662.7187 6157.8032 294.1047 3495.0845 6189.9688 295.1537 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: 5586.04, 0.00391618/step Wall: 5586.04, 0.00391618/step, 1.21271 hours remaining, 114.156250 MB of memory in use. ENERGY: 1385200 642.0593 1887.1847 1921.2276 98.1034 2.6505 -1059.4974 0.0000 0.0000 2696.1194 6187.8475 297.7939 3491.7281 6220.4223 296.9897 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: 5586.82, 0.00391582/step Wall: 5586.82, 0.00391582/step, 1.21238 hours remaining, 114.156250 MB of memory in use. ENERGY: 1385400 641.7075 1866.6804 1970.5401 97.8569 3.1598 -1061.5255 0.0000 0.0000 2729.2468 6247.6662 301.4529 3518.4193 6280.9650 300.1070 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: 5587.61, 0.00391542/step Wall: 5587.61, 0.00391542/step, 1.21204 hours remaining, 114.156250 MB of memory in use. ENERGY: 1385600 644.0007 1847.5655 1986.3046 111.6542 2.4158 -1096.9308 0.0000 0.0000 2741.2564 6236.2663 302.7794 3495.0100 6272.6950 300.8108 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: 5588.39, 0.0039281/step Wall: 5588.39, 0.0039281/step, 1.21575 hours remaining, 114.156250 MB of memory in use. ENERGY: 1385800 670.1574 1872.4887 1933.7642 111.5521 3.5965 -1068.6384 0.0000 0.0000 2747.8751 6270.7956 303.5105 3522.9205 6303.6196 301.4735 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: 5589.17, 0.00391847/step Wall: 5589.17, 0.00391847/step, 1.21255 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1386000 673.9342 1920.1398 1972.8242 95.1062 2.1661 -1114.1333 0.0000 0.0000 2703.0979 6253.1350 298.5647 3550.0372 6284.0125 301.7292 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: 5589.96, 0.00391557/step Wall: 5589.96, 0.00391557/step, 1.21143 hours remaining, 114.156250 MB of memory in use. ENERGY: 1386200 657.1715 1892.9221 2007.6177 103.6535 2.1491 -1067.4956 0.0000 0.0000 2694.6659 6290.6842 297.6334 3596.0183 6321.2234 302.1266 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: 5590.74, 0.00391445/step Wall: 5590.74, 0.00391445/step, 1.21087 hours remaining, 114.156250 MB of memory in use. ENERGY: 1386400 661.1112 1837.1824 1942.3612 109.4133 1.9776 -1068.0622 0.0000 0.0000 2789.9995 6273.9830 308.1632 3483.9836 6310.0909 304.2157 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: 5591.52, 0.00391397/step Wall: 5591.52, 0.00391397/step, 1.2105 hours remaining, 114.156250 MB of memory in use. ENERGY: 1386600 644.2529 1888.4558 1970.4475 108.5324 1.4927 -1060.8718 0.0000 0.0000 2671.8091 6224.1185 295.1088 3552.3094 6255.7834 301.3890 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: 5592.31, 0.00391105/step Wall: 5592.31, 0.00391105/step, 1.20938 hours remaining, 114.156250 MB of memory in use. ENERGY: 1386800 694.4760 1833.7792 1958.1476 103.2212 1.1513 -1047.5211 0.0000 0.0000 2692.9177 6236.1719 297.4403 3543.2542 6268.3852 301.2615 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: 5593.09, 0.00391446/step Wall: 5593.09, 0.00391446/step, 1.21022 hours remaining, 114.156250 MB of memory in use. ENERGY: 1387000 664.2500 1844.5738 1949.9752 109.4098 0.5566 -1071.6542 0.0000 0.0000 2705.1697 6202.2809 298.7935 3497.1112 6234.3298 299.2699 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: 5593.87, 0.00391435/step Wall: 5593.87, 0.00391435/step, 1.20997 hours remaining, 114.156250 MB of memory in use. ENERGY: 1387200 652.9275 1852.3635 1958.1095 116.5092 2.5625 -1095.2471 0.0000 0.0000 2697.2499 6184.4751 297.9188 3487.2252 6217.5860 299.7625 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: 5594.65, 0.00391473/step Wall: 5594.65, 0.00391473/step, 1.20987 hours remaining, 114.156250 MB of memory in use. ENERGY: 1387400 646.7584 1876.3346 1947.1576 104.6297 2.7245 -1090.9140 0.0000 0.0000 2687.6037 6174.2945 296.8533 3486.6908 6206.1906 298.2949 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: 5595.44, 0.00391176/step Wall: 5595.44, 0.00391176/step, 1.20873 hours remaining, 114.156250 MB of memory in use. ENERGY: 1387600 649.5128 1825.7560 1965.8868 110.0597 2.1003 -1047.4727 0.0000 0.0000 2632.8607 6138.7037 290.8068 3505.8430 6171.6769 295.8875 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: 5596.22, 0.0039154/step Wall: 5596.22, 0.0039154/step, 1.20964 hours remaining, 114.156250 MB of memory in use. ENERGY: 1387800 649.0263 1845.0436 1951.6501 105.4625 1.5429 -1069.6923 0.0000 0.0000 2668.3048 6151.3379 294.7217 3483.0331 6182.1549 295.1417 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: 5597, 0.00391564/step Wall: 5597, 0.00391564/step, 1.2095 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1388000 666.2567 1872.1432 1959.6772 104.4684 2.6107 -1105.7796 0.0000 0.0000 2724.3519 6223.7284 300.9123 3499.3765 6256.9818 296.9220 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: 5597.79, 0.00391899/step Wall: 5597.79, 0.00391899/step, 1.21031 hours remaining, 114.156250 MB of memory in use. ENERGY: 1388200 675.7530 1878.7115 1936.1876 98.5633 3.5380 -1064.0489 0.0000 0.0000 2707.8642 6236.5687 299.0911 3528.7045 6270.3171 298.8157 LDB: ============= START OF LOAD BALANCING ============== 5600.49 LDB: ============== END OF LOAD BALANCING =============== 5600.49 LDB: =============== DONE WITH MIGRATION ================ 5600.49 LDB: ============= START OF LOAD BALANCING ============== 5600.88 LDB: ============== END OF LOAD BALANCING =============== 5600.88 LDB: =============== DONE WITH MIGRATION ================ 5600.88 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: 5598.57, 0.00392025/step Wall: 5598.57, 0.00392025/step, 1.21049 hours remaining, 114.156250 MB of memory in use. ENERGY: 1388400 687.9304 1902.6537 1956.2902 106.5275 3.8669 -1078.5493 0.0000 0.0000 2712.5546 6291.2739 299.6092 3578.7193 6324.1893 301.3042 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: 5599.35, 0.00391272/step Wall: 5599.35, 0.00391272/step, 1.20794 hours remaining, 114.156250 MB of memory in use. ENERGY: 1388600 680.8303 1873.8575 1973.2118 96.7886 3.6757 -1055.4925 0.0000 0.0000 2716.0104 6288.8819 299.9909 3572.8714 6323.6157 302.7678 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: 5600.14, 0.00391522/step Wall: 5600.14, 0.00391522/step, 1.2085 hours remaining, 114.156250 MB of memory in use. ENERGY: 1388800 645.2101 1828.4807 1973.8353 102.2630 2.8967 -1038.8199 0.0000 0.0000 2737.8950 6251.7609 302.4081 3513.8659 6284.4291 301.6974 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: 5600.92, 0.00391525/step Wall: 5600.92, 0.00391525/step, 1.20829 hours remaining, 114.156250 MB of memory in use. ENERGY: 1389000 691.5518 1839.9834 1969.1608 101.5215 3.7973 -1075.7649 0.0000 0.0000 2692.6647 6222.9146 297.4123 3530.2499 6255.9840 301.2301 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: 5601.7, 0.00391567/step Wall: 5601.7, 0.00391567/step, 1.2082 hours remaining, 114.156250 MB of memory in use. ENERGY: 1389200 658.4887 1844.0063 1951.8279 99.0671 3.1871 -1075.6200 0.0000 0.0000 2728.9748 6209.9320 301.4229 3480.9571 6241.6180 299.0549 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: 5602.48, 0.00391174/step Wall: 5602.48, 0.00391174/step, 1.20677 hours remaining, 114.156250 MB of memory in use. ENERGY: 1389400 634.0074 1941.2181 1960.6863 111.1316 3.5663 -1083.2420 0.0000 0.0000 2664.6960 6232.0637 294.3231 3567.3678 6262.4248 300.5844 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: 5603.27, 0.00391549/step Wall: 5603.27, 0.00391549/step, 1.20771 hours remaining, 114.156250 MB of memory in use. ENERGY: 1389600 671.9322 1887.4610 1943.3190 107.1683 2.9391 -1073.3993 0.0000 0.0000 2658.6079 6198.0282 293.6506 3539.4204 6230.0463 299.9457 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: 5604.05, 0.00391605/step Wall: 5604.05, 0.00391605/step, 1.20767 hours remaining, 114.156250 MB of memory in use. ENERGY: 1389800 653.7920 1886.1254 1959.4699 102.4065 3.3552 -1087.3217 0.0000 0.0000 2657.2594 6175.0867 293.5017 3517.8273 6207.5501 297.2101 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: 5604.83, 0.00391651/step Wall: 5604.83, 0.00391651/step, 1.20759 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1390000 631.5171 1837.0368 1939.3844 113.8399 2.4303 -1104.2376 0.0000 0.0000 2736.0647 6156.0354 302.2060 3419.9708 6193.3431 297.5445 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1390000 WRITING COORDINATES TO DCD FILE MD.1.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: 5605.66, 0.00413931/step Wall: 5605.66, 0.00413931/step, 1.27606 hours remaining, 114.156250 MB of memory in use. ENERGY: 1390200 638.6134 1822.1391 1942.5075 117.3410 2.8182 -1088.4265 0.0000 0.0000 2756.8880 6191.8808 304.5060 3434.9929 6228.1514 298.6799 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: 5606.44, 0.00391228/step Wall: 5606.44, 0.00391228/step, 1.20585 hours remaining, 114.156250 MB of memory in use. ENERGY: 1390400 649.8382 1802.9530 1978.8039 102.6992 1.4498 -1096.1363 0.0000 0.0000 2717.4588 6157.0664 300.1509 3439.6077 6191.3100 298.5376 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: 5607.23, 0.00391393/step Wall: 5607.23, 0.00391393/step, 1.20614 hours remaining, 114.156250 MB of memory in use. ENERGY: 1390600 646.5556 1831.9272 1954.2741 103.4659 2.3242 -1033.6759 0.0000 0.0000 2716.7740 6221.6450 300.0753 3504.8710 6252.6243 296.8588 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: 5608.01, 0.00391497/step Wall: 5608.01, 0.00391497/step, 1.20625 hours remaining, 114.156250 MB of memory in use. ENERGY: 1390800 639.4350 1852.7769 1937.6163 105.7173 2.0481 -1066.6913 0.0000 0.0000 2695.3679 6166.2703 297.7109 3470.9024 6197.1908 298.0719 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: 5608.79, 0.00391732/step Wall: 5608.79, 0.00391732/step, 1.20675 hours remaining, 114.156250 MB of memory in use. ENERGY: 1391000 652.8995 1877.2873 1937.2783 104.1420 0.9424 -1095.4435 0.0000 0.0000 2708.7752 6185.8813 299.1918 3477.1061 6214.3882 296.8151 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: 5609.58, 0.00391572/step Wall: 5609.58, 0.00391572/step, 1.20604 hours remaining, 114.156250 MB of memory in use. ENERGY: 1391200 645.3120 1846.8307 1942.2715 111.5764 1.7073 -1034.9717 0.0000 0.0000 2678.1598 6190.8861 295.8102 3512.7263 6225.2007 298.9122 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: 5610.36, 0.00391201/step Wall: 5610.36, 0.00391201/step, 1.20468 hours remaining, 114.156250 MB of memory in use. ENERGY: 1391400 645.0732 1866.6851 1964.0195 106.1964 1.6716 -1096.3978 0.0000 0.0000 2728.5937 6215.8416 301.3808 3487.2479 6251.5983 298.9997 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: 5611.14, 0.00391485/step Wall: 5611.14, 0.00391485/step, 1.20534 hours remaining, 114.156250 MB of memory in use. ENERGY: 1391600 624.9993 1820.4785 1967.3760 111.7724 1.5321 -1056.8827 0.0000 0.0000 2709.9288 6179.2042 299.3192 3469.2755 6211.7509 298.5024 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: 5611.93, 0.0039147/step Wall: 5611.93, 0.0039147/step, 1.20508 hours remaining, 114.156250 MB of memory in use. ENERGY: 1391800 679.3022 1811.6779 1973.2817 101.1110 3.0360 -1058.6063 0.0000 0.0000 2710.3231 6220.1255 299.3627 3509.8024 6251.9386 298.3657 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: 5612.71, 0.00391618/step Wall: 5612.71, 0.00391618/step, 1.20531 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1392000 616.8003 1856.9874 1947.9096 113.2233 1.2242 -1078.6892 0.0000 0.0000 2691.3040 6148.7597 297.2620 3457.4556 6183.1952 297.2474 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: 5613.49, 0.00391268/step Wall: 5613.49, 0.00391268/step, 1.20402 hours remaining, 114.156250 MB of memory in use. ENERGY: 1392200 614.0125 1814.5112 1978.4370 102.6555 4.1077 -1069.4832 0.0000 0.0000 2748.9302 6193.1710 303.6270 3444.2408 6228.7113 297.2885 LDB: ============= START OF LOAD BALANCING ============== 5616.19 LDB: ============== END OF LOAD BALANCING =============== 5616.19 LDB: =============== DONE WITH MIGRATION ================ 5616.19 LDB: ============= START OF LOAD BALANCING ============== 5616.58 LDB: ============== END OF LOAD BALANCING =============== 5616.58 LDB: =============== DONE WITH MIGRATION ================ 5616.58 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: 5614.28, 0.00392069/step Wall: 5614.28, 0.00392069/step, 1.20626 hours remaining, 114.156250 MB of memory in use. ENERGY: 1392400 677.9066 1845.3606 1946.2445 117.2470 2.2523 -1068.3769 0.0000 0.0000 2679.3080 6199.9422 295.9370 3520.6341 6229.4372 298.2683 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: 5615.06, 0.00391804/step Wall: 5615.06, 0.00391804/step, 1.20523 hours remaining, 114.156250 MB of memory in use. ENERGY: 1392600 691.1696 1839.5422 1944.9414 98.0008 2.0189 -1092.6100 0.0000 0.0000 2679.4187 6162.4816 295.9493 3483.0629 6194.4915 298.0075 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: 5615.84, 0.00391756/step Wall: 5615.84, 0.00391756/step, 1.20487 hours remaining, 114.156250 MB of memory in use. ENERGY: 1392800 621.6541 1823.6459 1945.6024 101.5455 3.7052 -1075.9466 0.0000 0.0000 2724.4102 6144.6167 300.9187 3420.2065 6178.0645 296.1896 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: 5616.63, 0.00391768/step Wall: 5616.63, 0.00391768/step, 1.20469 hours remaining, 114.156250 MB of memory in use. ENERGY: 1393000 656.7117 1817.9555 1952.4501 93.7935 3.5271 -1067.8462 0.0000 0.0000 2714.3288 6170.9204 299.8052 3456.5916 6206.7379 295.8804 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: 5617.41, 0.00391199/step Wall: 5617.41, 0.00391199/step, 1.20272 hours remaining, 114.156250 MB of memory in use. ENERGY: 1393200 622.4881 1859.6076 1971.4272 106.1675 2.2392 -1085.9479 0.0000 0.0000 2772.7613 6248.7429 306.2592 3475.9816 6285.5519 299.9156 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: 5618.19, 0.00391563/step Wall: 5618.19, 0.00391563/step, 1.20362 hours remaining, 114.156250 MB of memory in use. ENERGY: 1393400 652.6870 1911.1211 1940.9015 112.3227 2.2573 -1048.3563 0.0000 0.0000 2737.6151 6308.5484 302.3772 3570.9333 6344.4660 303.6140 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: 5618.98, 0.00391734/step Wall: 5618.98, 0.00391734/step, 1.20393 hours remaining, 114.156250 MB of memory in use. ENERGY: 1393600 648.5838 1901.0805 1949.5393 116.7835 3.5489 -1087.2740 0.0000 0.0000 2750.6603 6282.9223 303.8181 3532.2619 6316.0427 304.8614 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: 5619.76, 0.00391421/step Wall: 5619.76, 0.00391421/step, 1.20275 hours remaining, 114.156250 MB of memory in use. ENERGY: 1393800 675.4280 1856.9202 1952.0029 112.2532 2.2950 -1049.6404 0.0000 0.0000 2755.6684 6304.9273 304.3712 3549.2589 6338.0706 302.9469 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: 5620.54, 0.00391054/step Wall: 5620.54, 0.00391054/step, 1.2014 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1394000 631.7656 1840.1828 1960.1818 96.2239 2.8840 -1062.1271 0.0000 0.0000 2733.6084 6202.7193 301.9347 3469.1109 6237.8165 301.0548 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: 5621.32, 0.00391463/step Wall: 5621.32, 0.00391463/step, 1.20244 hours remaining, 114.156250 MB of memory in use. ENERGY: 1394200 654.4150 1825.8294 1960.0773 105.1382 2.3500 -1066.8996 0.0000 0.0000 2763.5782 6244.4885 305.2449 3480.9104 6280.2255 300.1699 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: 5622.11, 0.00391303/step Wall: 5622.11, 0.00391303/step, 1.20173 hours remaining, 114.156250 MB of memory in use. ENERGY: 1394400 660.8087 1834.9318 1939.6805 96.8594 2.6427 -1061.0447 0.0000 0.0000 2672.4003 6146.2787 295.1741 3473.8784 6181.1797 297.6513 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: 5622.89, 0.00391611/step Wall: 5622.89, 0.00391611/step, 1.20246 hours remaining, 114.156250 MB of memory in use. ENERGY: 1394600 669.0656 1847.6606 1918.5313 96.2891 2.3920 -1068.8193 0.0000 0.0000 2684.0304 6149.1497 296.4586 3465.1193 6180.7824 296.5780 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: 5623.67, 0.00391662/step Wall: 5623.67, 0.00391662/step, 1.2024 hours remaining, 114.156250 MB of memory in use. ENERGY: 1394800 655.5655 1863.7117 1940.0653 111.7512 4.4104 -1079.0138 0.0000 0.0000 2667.6125 6164.1027 294.6452 3496.4902 6197.4239 295.7819 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: 5624.45, 0.00391112/step Wall: 5624.45, 0.00391112/step, 1.2005 hours remaining, 114.156250 MB of memory in use. ENERGY: 1395000 654.9501 1834.0576 1922.6184 111.9953 5.2383 -1072.7440 0.0000 0.0000 2708.5831 6164.6990 299.1706 3456.1158 6198.9391 296.0090 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: 5625.24, 0.00391529/step Wall: 5625.24, 0.00391529/step, 1.20156 hours remaining, 114.156250 MB of memory in use. ENERGY: 1395200 646.5344 1790.0529 1943.0963 115.5709 2.1506 -1058.5244 0.0000 0.0000 2646.2454 6085.1261 292.2852 3438.8807 6117.2896 293.3177 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: 5626.02, 0.00391727/step Wall: 5626.02, 0.00391727/step, 1.20195 hours remaining, 114.156250 MB of memory in use. ENERGY: 1395400 622.2074 1785.1345 1930.9708 103.8003 3.3414 -1040.4124 0.0000 0.0000 2649.5556 6054.5976 292.6508 3405.0420 6086.6377 291.6476 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: 5626.8, 0.00391738/step Wall: 5626.8, 0.00391738/step, 1.20176 hours remaining, 114.156250 MB of memory in use. ENERGY: 1395600 623.6619 1838.6587 1923.6150 111.8500 3.4549 -1031.9202 0.0000 0.0000 2619.7195 6089.0397 289.3553 3469.3202 6117.9616 290.1065 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: 5627.59, 0.00391628/step Wall: 5627.59, 0.00391627/step, 1.20121 hours remaining, 114.156250 MB of memory in use. ENERGY: 1395800 664.5542 1804.3408 1951.8106 115.6313 3.9279 -1082.3021 0.0000 0.0000 2649.8272 6107.7899 292.6808 3457.9627 6141.2600 292.5986 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: 5628.37, 0.00391209/step Wall: 5628.37, 0.00391209/step, 1.19971 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1396000 660.6199 1805.7056 1952.9000 117.1563 3.7657 -1075.4035 0.0000 0.0000 2685.7848 6150.5289 296.6524 3464.7441 6182.7598 294.3923 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: 5629.15, 0.00391655/step Wall: 5629.15, 0.00391655/step, 1.20086 hours remaining, 114.156250 MB of memory in use. ENERGY: 1396200 663.2745 1801.8670 1955.9853 118.7896 3.4539 -1061.7617 0.0000 0.0000 2689.1608 6170.7694 297.0253 3481.6086 6202.2524 296.2815 LDB: ============= START OF LOAD BALANCING ============== 5631.85 LDB: ============== END OF LOAD BALANCING =============== 5631.85 LDB: =============== DONE WITH MIGRATION ================ 5631.85 LDB: ============= START OF LOAD BALANCING ============== 5632.25 LDB: ============== END OF LOAD BALANCING =============== 5632.25 LDB: =============== DONE WITH MIGRATION ================ 5632.25 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: 5629.94, 0.00392218/step Wall: 5629.94, 0.00392218/step, 1.20237 hours remaining, 114.156250 MB of memory in use. ENERGY: 1396400 664.8484 1844.1260 1954.8825 120.0460 2.6229 -1079.5025 0.0000 0.0000 2695.7318 6202.7551 297.7511 3507.0233 6236.3318 297.0009 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: 5630.72, 0.00391701/step Wall: 5630.72, 0.00391701/step, 1.20056 hours remaining, 114.156250 MB of memory in use. ENERGY: 1396600 659.4765 1907.4217 1940.7675 112.2774 0.6104 -1075.9169 0.0000 0.0000 2662.9906 6207.6273 294.1347 3544.6367 6236.5033 297.5050 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: 5631.5, 0.00391172/step Wall: 5631.5, 0.00391172/step, 1.19872 hours remaining, 114.156250 MB of memory in use. ENERGY: 1396800 644.4961 1806.4410 1937.4708 111.1646 1.8616 -1043.0059 0.0000 0.0000 2747.5560 6205.9842 303.4752 3458.4282 6241.1004 299.0284 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: 5632.29, 0.00391695/step Wall: 5632.29, 0.00391695/step, 1.20011 hours remaining, 114.156250 MB of memory in use. ENERGY: 1397000 693.8411 1842.4244 1931.9854 103.0438 2.7870 -1059.0345 0.0000 0.0000 2732.6277 6247.6750 301.8263 3515.0473 6283.4228 300.2121 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: 5633.07, 0.00391813/step Wall: 5633.07, 0.00391813/step, 1.20026 hours remaining, 114.156250 MB of memory in use. ENERGY: 1397200 696.3354 1811.0018 1976.2588 110.9856 3.9821 -1086.7539 0.0000 0.0000 2733.1744 6244.9844 301.8867 3511.8100 6278.0999 301.6983 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: 5633.85, 0.00391757/step Wall: 5633.85, 0.00391757/step, 1.19986 hours remaining, 114.156250 MB of memory in use. ENERGY: 1397400 701.1414 1874.0529 1928.0345 102.4144 2.8700 -1076.1002 0.0000 0.0000 2721.8377 6254.2506 300.6346 3532.4129 6286.9836 300.8858 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: 5634.64, 0.00391692/step Wall: 5634.64, 0.00391692/step, 1.19945 hours remaining, 114.156250 MB of memory in use. ENERGY: 1397600 680.2538 1854.2984 1944.7416 112.9203 2.1386 -1094.4534 0.0000 0.0000 2739.6169 6239.5163 302.5983 3499.8993 6272.0991 301.7553 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: 5635.42, 0.00391269/step Wall: 5635.42, 0.00391269/step, 1.19794 hours remaining, 114.156250 MB of memory in use. ENERGY: 1397800 654.8377 1808.2137 1975.4225 108.2655 1.6250 -1038.7318 0.0000 0.0000 2767.5613 6277.1939 305.6848 3509.6326 6310.3421 303.5626 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: 5636.2, 0.00391718/step Wall: 5636.2, 0.00391718/step, 1.19909 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1398000 625.5540 1882.1121 1966.4749 109.6459 3.7729 -1037.2175 0.0000 0.0000 2724.3423 6274.6846 300.9112 3550.3422 6307.1421 302.1671 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: 5636.99, 0.00391743/step Wall: 5636.99, 0.00391744/step, 1.19895 hours remaining, 114.156250 MB of memory in use. ENERGY: 1398200 683.8143 1868.2430 1960.2564 127.0077 2.9411 -1061.7676 0.0000 0.0000 2711.6419 6292.1369 299.5084 3580.4950 6321.8534 302.4256 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: 5637.77, 0.00392213/step Wall: 5637.77, 0.00392213/step, 1.20017 hours remaining, 114.156250 MB of memory in use. ENERGY: 1398400 649.1032 1841.0561 1962.3019 103.7185 2.4526 -1059.6033 0.0000 0.0000 2731.2844 6230.3134 301.6780 3499.0290 6265.2222 302.2985 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: 5638.55, 0.00391142/step Wall: 5638.55, 0.00391142/step, 1.19668 hours remaining, 114.156250 MB of memory in use. ENERGY: 1398600 653.9200 1844.1485 1938.3073 101.0038 3.2260 -1049.1208 0.0000 0.0000 2697.5393 6189.0241 297.9507 3491.4848 6221.7717 298.5308 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: 5639.34, 0.00391625/step Wall: 5639.34, 0.00391625/step, 1.19794 hours remaining, 114.156250 MB of memory in use. ENERGY: 1398800 690.1938 1807.2664 1933.2209 93.8164 1.7513 -1054.8521 0.0000 0.0000 2763.2371 6234.6337 305.2072 3471.3966 6268.2882 301.0271 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: 5640.12, 0.00391579/step Wall: 5640.12, 0.00391579/step, 1.19758 hours remaining, 114.156250 MB of memory in use. ENERGY: 1399000 683.5626 1867.2095 1941.4658 111.3536 3.0745 -1086.6569 0.0000 0.0000 2645.7282 6165.7373 292.2280 3520.0091 6198.4499 297.9402 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: 5640.9, 0.00391822/step Wall: 5640.9, 0.00391822/step, 1.1981 hours remaining, 114.156250 MB of memory in use. ENERGY: 1399200 667.5581 1788.0972 1965.6466 102.9763 3.6332 -1066.2259 0.0000 0.0000 2675.9464 6137.6317 295.5657 3461.6854 6173.1868 296.8379 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: 5641.69, 0.00391854/step Wall: 5641.69, 0.00391854/step, 1.19798 hours remaining, 114.156250 MB of memory in use. ENERGY: 1399400 656.1930 1819.2326 1967.8512 112.7440 1.5057 -1021.1773 0.0000 0.0000 2654.1514 6190.5006 293.1584 3536.3492 6220.7714 297.3694 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: 5642.47, 0.00391279/step Wall: 5642.47, 0.00391279/step, 1.19601 hours remaining, 114.156250 MB of memory in use. ENERGY: 1399600 660.3343 1804.5589 1955.4093 102.3132 2.0911 -1065.9234 0.0000 0.0000 2708.5204 6167.3039 299.1636 3458.7834 6201.4802 297.1243 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: 5643.25, 0.00391919/step Wall: 5643.25, 0.00391919/step, 1.19775 hours remaining, 114.156250 MB of memory in use. ENERGY: 1399800 628.9279 1863.5710 1951.7131 110.0977 2.2810 -1050.5242 0.0000 0.0000 2692.1186 6198.1852 297.3520 3506.0666 6229.9010 298.6095 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: 5644.04, 0.00391851/step Wall: 5644.04, 0.00391851/step, 1.19732 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1400000 656.7848 1871.6007 1948.4945 105.9272 1.6143 -1069.4461 0.0000 0.0000 2692.4101 6207.3854 297.3842 3514.9754 6240.1448 298.4499 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1400000 WRITING COORDINATES TO DCD FILE MD.1.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: 5644.87, 0.00418254/step Wall: 5644.87, 0.00418254/step, 1.27777 hours remaining, 114.156250 MB of memory in use. ENERGY: 1400200 649.7981 1850.4808 1980.2339 98.5733 2.7437 -1119.6935 0.0000 0.0000 2730.1491 6192.2853 301.5526 3462.1362 6222.4400 299.4700 LDB: ============= START OF LOAD BALANCING ============== 5647.57 LDB: ============== END OF LOAD BALANCING =============== 5647.57 LDB: =============== DONE WITH MIGRATION ================ 5647.57 LDB: ============= START OF LOAD BALANCING ============== 5647.97 LDB: ============== END OF LOAD BALANCING =============== 5647.97 LDB: =============== DONE WITH MIGRATION ================ 5647.97 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: 5645.66, 0.00392269/step Wall: 5645.66, 0.00392269/step, 1.19816 hours remaining, 114.156250 MB of memory in use. ENERGY: 1400400 693.3724 1814.2754 1977.2157 107.0352 1.5631 -1109.2188 0.0000 0.0000 2706.5275 6190.7706 298.9435 3484.2431 6223.4424 298.8667 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: 5646.44, 0.00391295/step Wall: 5646.44, 0.00391295/step, 1.19497 hours remaining, 114.156250 MB of memory in use. ENERGY: 1400600 654.8910 1858.4534 1959.0707 111.2179 3.8803 -1062.9634 0.0000 0.0000 2684.1414 6208.6914 296.4709 3524.5499 6240.8500 299.6820 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: 5647.22, 0.00391668/step Wall: 5647.22, 0.00391668/step, 1.19589 hours remaining, 114.156250 MB of memory in use. ENERGY: 1400800 673.3286 1852.8565 1957.6912 118.4948 2.8433 -1054.0942 0.0000 0.0000 2712.7073 6263.8275 299.6261 3551.1202 6296.0794 300.0946 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: 5648.01, 0.00393018/step Wall: 5648.01, 0.00393018/step, 1.1998 hours remaining, 114.156250 MB of memory in use. ENERGY: 1401000 680.5220 1835.9600 1946.0757 106.2513 2.3650 -1077.4862 0.0000 0.0000 2774.0958 6267.7835 306.4066 3493.6877 6303.5590 301.0803 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: 5648.8, 0.00392354/step Wall: 5648.8, 0.00392354/step, 1.19755 hours remaining, 114.156250 MB of memory in use. ENERGY: 1401200 680.8526 1859.2202 1934.1861 104.9940 2.5813 -1078.4846 0.0000 0.0000 2729.4798 6232.8292 301.4786 3503.3495 6269.0260 301.8594 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: 5649.58, 0.00391567/step Wall: 5649.58, 0.00391567/step, 1.19493 hours remaining, 114.156250 MB of memory in use. ENERGY: 1401400 675.7000 1902.1547 1948.8960 98.8663 2.5647 -1089.0194 0.0000 0.0000 2642.6321 6181.7944 291.8861 3539.1623 6210.5085 297.4764 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: 5650.36, 0.00392051/step Wall: 5650.36, 0.00392051/step, 1.19619 hours remaining, 114.156250 MB of memory in use. ENERGY: 1401600 662.9187 1828.1834 1948.1779 100.8245 2.7953 -1050.3387 0.0000 0.0000 2737.2087 6229.7698 302.3323 3492.5612 6263.2781 298.3876 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: 5651.15, 0.00391827/step Wall: 5651.15, 0.00391827/step, 1.19529 hours remaining, 114.156250 MB of memory in use. ENERGY: 1401800 642.9379 1872.5931 1955.3025 110.0140 3.9493 -1039.5508 0.0000 0.0000 2680.5461 6225.7920 296.0738 3545.2459 6259.6916 299.6334 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: 5651.93, 0.00391777/step Wall: 5651.93, 0.00391777/step, 1.19492 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1402000 636.8717 1897.1360 1915.0946 106.1373 3.9754 -1045.3360 0.0000 0.0000 2736.9264 6250.8053 302.3011 3513.8789 6282.7557 300.7312 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: 5652.71, 0.00391879/step Wall: 5652.71, 0.00391879/step, 1.19501 hours remaining, 114.156250 MB of memory in use. ENERGY: 1402200 682.4066 1828.7245 1925.9261 108.9304 2.1694 -1073.3496 0.0000 0.0000 2721.3235 6196.1308 300.5778 3474.8074 6231.5684 299.7803 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: 5653.5, 0.00391099/step Wall: 5653.5, 0.00391099/step, 1.19242 hours remaining, 114.156250 MB of memory in use. ENERGY: 1402400 667.3703 1905.4769 1910.3269 114.7432 2.9357 -1070.5507 0.0000 0.0000 2706.8744 6237.1768 298.9818 3530.3024 6267.6393 297.2590 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: 5654.28, 0.00391638/step Wall: 5654.28, 0.00391638/step, 1.19384 hours remaining, 114.156250 MB of memory in use. ENERGY: 1402600 698.1972 1873.3697 1956.4194 101.6151 1.7674 -1090.1030 0.0000 0.0000 2674.6908 6215.9566 295.4270 3541.2658 6248.4714 299.5549 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: 5655.06, 0.00391804/step Wall: 5655.06, 0.00391804/step, 1.19413 hours remaining, 114.156250 MB of memory in use. ENERGY: 1402800 662.9969 1845.2838 1957.2912 102.6523 2.2049 -1070.8989 0.0000 0.0000 2694.4996 6194.0298 297.6150 3499.5302 6226.9681 299.1857 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: 5655.85, 0.00391693/step Wall: 5655.85, 0.00391692/step, 1.19357 hours remaining, 114.156250 MB of memory in use. ENERGY: 1403000 667.0060 1868.9819 1955.5259 107.5038 2.0135 -1046.3991 0.0000 0.0000 2717.1719 6271.8039 300.1192 3554.6320 6303.0712 300.8762 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: 5656.63, 0.0039112/step Wall: 5656.63, 0.0039112/step, 1.19161 hours remaining, 114.156250 MB of memory in use. ENERGY: 1403200 671.3752 1874.8818 1972.4362 102.8097 0.6470 -1045.2040 0.0000 0.0000 2702.1179 6279.0639 298.4565 3576.9460 6309.0427 302.1240 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: 5657.41, 0.0039167/step Wall: 5657.41, 0.0039167/step, 1.19307 hours remaining, 114.156250 MB of memory in use. ENERGY: 1403400 681.8513 1856.8342 1989.1270 108.7524 1.2632 -1047.1103 0.0000 0.0000 2668.6566 6259.3745 294.7605 3590.7179 6292.5070 301.0695 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: 5658.19, 0.00391828/step Wall: 5658.19, 0.00391828/step, 1.19333 hours remaining, 114.156250 MB of memory in use. ENERGY: 1403600 648.0656 1868.7196 1970.4614 117.9120 2.1900 -1059.8399 0.0000 0.0000 2697.6247 6245.1334 297.9602 3547.5087 6278.3631 299.4783 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: 5658.98, 0.0039183/step Wall: 5658.98, 0.0039183/step, 1.19312 hours remaining, 114.156250 MB of memory in use. ENERGY: 1403800 660.9931 1841.1748 1969.3382 108.2801 0.3522 -1100.2868 0.0000 0.0000 2761.4603 6241.3119 305.0110 3479.8516 6274.1023 301.6684 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: 5659.76, 0.00391715/step Wall: 5659.76, 0.00391715/step, 1.19255 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1404000 635.9946 1877.8902 1959.1979 98.8739 1.8365 -1086.9532 0.0000 0.0000 2751.0639 6237.9039 303.8627 3486.8400 6272.1139 302.1079 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: 5660.54, 0.00391246/step Wall: 5660.54, 0.00391245/step, 1.19091 hours remaining, 114.156250 MB of memory in use. ENERGY: 1404200 651.5326 1841.5641 1961.2453 106.1849 0.7549 -1063.8480 0.0000 0.0000 2711.9283 6209.3622 299.5400 3497.4338 6242.7701 300.1692 LDB: ============= START OF LOAD BALANCING ============== 5663.25 LDB: ============== END OF LOAD BALANCING =============== 5663.25 LDB: =============== DONE WITH MIGRATION ================ 5663.25 LDB: ============= START OF LOAD BALANCING ============== 5663.64 LDB: ============== END OF LOAD BALANCING =============== 5663.64 LDB: =============== DONE WITH MIGRATION ================ 5663.64 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: 5661.33, 0.00392321/step Wall: 5661.33, 0.00392322/step, 1.19397 hours remaining, 114.156250 MB of memory in use. ENERGY: 1404400 666.8344 1908.6165 1971.4641 105.6612 1.0371 -1072.9672 0.0000 0.0000 2681.2764 6261.9226 296.1544 3580.6462 6294.7277 298.0087 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: 5662.11, 0.00391672/step Wall: 5662.11, 0.00391672/step, 1.19177 hours remaining, 114.156250 MB of memory in use. ENERGY: 1404600 657.5838 1842.8534 1982.0416 116.2505 1.1346 -1066.7704 0.0000 0.0000 2707.1957 6240.2892 299.0173 3533.0936 6271.7387 298.8124 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: 5662.9, 0.00391927/step Wall: 5662.9, 0.00391927/step, 1.19233 hours remaining, 114.156250 MB of memory in use. ENERGY: 1404800 634.0739 1835.6037 1944.5903 105.3191 0.9226 -1071.1158 0.0000 0.0000 2737.7338 6187.1277 302.3903 3449.3939 6220.0235 298.9344 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: 5663.68, 0.00391853/step Wall: 5663.68, 0.00391853/step, 1.19189 hours remaining, 114.156250 MB of memory in use. ENERGY: 1405000 653.1535 1846.1378 1933.9442 123.5710 0.9204 -1021.8101 0.0000 0.0000 2681.5057 6217.4224 296.1798 3535.9167 6250.6219 299.8528 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: 5664.46, 0.00391107/step Wall: 5664.46, 0.00391107/step, 1.1894 hours remaining, 114.156250 MB of memory in use. ENERGY: 1405200 667.8370 1796.2328 1975.1891 109.1525 1.0109 -1047.2715 0.0000 0.0000 2744.8076 6246.9584 303.1716 3502.1508 6280.7824 301.0392 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: 5665.25, 0.00391859/step Wall: 5665.25, 0.00391859/step, 1.19147 hours remaining, 114.156250 MB of memory in use. ENERGY: 1405400 645.9563 1876.5146 1988.4225 110.9694 1.1390 -1095.4512 0.0000 0.0000 2709.7235 6237.2742 299.2965 3527.5506 6270.0774 301.5473 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: 5666.03, 0.00391842/step Wall: 5666.03, 0.00391842/step, 1.1912 hours remaining, 114.156250 MB of memory in use. ENERGY: 1405600 657.1150 1825.0960 1970.4132 105.3533 1.0112 -1066.9882 0.0000 0.0000 2759.5179 6251.5185 304.7964 3492.0006 6285.1791 301.9021 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: 5666.81, 0.00391938/step Wall: 5666.81, 0.00391938/step, 1.19128 hours remaining, 114.156250 MB of memory in use. ENERGY: 1405800 709.0659 1849.4780 1961.9562 93.4499 0.7089 -1047.2364 0.0000 0.0000 2662.8914 6230.3140 294.1238 3567.4226 6259.2637 301.2218 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: 5667.6, 0.0039106/step Wall: 5667.6, 0.0039106/step, 1.18839 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1406000 649.7888 1831.7454 1962.4626 95.3526 0.0414 -1035.3044 0.0000 0.0000 2758.3941 6262.4804 304.6723 3504.0863 6295.5290 299.9788 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: 5668.38, 0.00391853/step Wall: 5668.38, 0.00391853/step, 1.19058 hours remaining, 114.156250 MB of memory in use. ENERGY: 1406200 603.8807 1849.6703 1958.8537 116.9703 -0.1963 -1007.4851 0.0000 0.0000 2791.5714 6313.2650 308.3368 3521.6936 6348.4832 303.0152 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: 5669.16, 0.00391562/step Wall: 5669.16, 0.00391562/step, 1.18948 hours remaining, 114.156250 MB of memory in use. ENERGY: 1406400 663.5839 1865.9787 1972.0446 106.5774 0.2934 -1047.7991 0.0000 0.0000 2768.7055 6329.3845 305.8112 3560.6790 6363.6443 306.2162 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: 5669.95, 0.00391654/step Wall: 5669.95, 0.00391654/step, 1.18954 hours remaining, 114.156250 MB of memory in use. ENERGY: 1406600 690.7319 1843.4456 1974.6249 107.8932 1.7927 -1079.6634 0.0000 0.0000 2830.7954 6369.6202 312.6692 3538.8248 6403.4756 308.3650 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: 5670.73, 0.00391706/step Wall: 5670.73, 0.00391706/step, 1.18948 hours remaining, 114.156250 MB of memory in use. ENERGY: 1406800 715.9115 1825.4257 1974.7434 110.7772 -0.5206 -1051.1606 0.0000 0.0000 2768.0350 6343.2116 305.7372 3575.1766 6379.7059 306.0697 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: 5671.51, 0.00390909/step Wall: 5671.51, 0.00390909/step, 1.18684 hours remaining, 114.156250 MB of memory in use. ENERGY: 1407000 682.6585 1852.5964 1974.2289 101.3064 2.3284 -1076.0332 0.0000 0.0000 2729.9335 6267.0189 301.5288 3537.0854 6300.5818 304.7341 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: 5672.29, 0.00391518/step Wall: 5672.29, 0.00391518/step, 1.18847 hours remaining, 114.156250 MB of memory in use. ENERGY: 1407200 653.7226 1832.7755 1987.5869 107.7926 1.1652 -1085.6415 0.0000 0.0000 2717.1907 6214.5920 300.1213 3497.4013 6247.6173 300.5337 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: 5673.08, 0.00391665/step Wall: 5673.08, 0.00391665/step, 1.1887 hours remaining, 114.156250 MB of memory in use. ENERGY: 1407400 666.3632 1813.8512 1994.5924 96.2732 0.4294 -1064.3784 0.0000 0.0000 2764.8790 6272.0101 305.3886 3507.1311 6307.1136 302.5760 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: 5673.86, 0.00391655/step Wall: 5673.86, 0.00391655/step, 1.18846 hours remaining, 114.156250 MB of memory in use. ENERGY: 1407600 692.2505 1814.8066 2007.8242 117.9384 1.8551 -1054.7929 0.0000 0.0000 2666.7541 6246.6360 294.5504 3579.8819 6276.4846 301.7353 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: 5674.64, 0.00391055/step Wall: 5674.64, 0.00391055/step, 1.18642 hours remaining, 114.156250 MB of memory in use. ENERGY: 1407800 662.7676 1837.7762 1948.2728 103.1156 0.8488 -1062.5996 0.0000 0.0000 2737.2261 6227.4075 302.3342 3490.1814 6261.1299 300.6087 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: 5675.43, 0.00391633/step Wall: 5675.43, 0.00391633/step, 1.18795 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1408000 690.9899 1893.9418 1944.7851 109.1263 1.4190 -1040.1953 0.0000 0.0000 2693.3276 6293.3944 297.4855 3600.0669 6319.3766 301.5991 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: 5676.21, 0.00391716/step Wall: 5676.21, 0.00391716/step, 1.18799 hours remaining, 114.156250 MB of memory in use. ENERGY: 1408200 663.1049 1849.9974 1953.1525 103.5922 0.3618 -1068.0388 0.0000 0.0000 2790.5602 6292.7301 308.2251 3502.1699 6329.6740 304.4036 LDB: ============= START OF LOAD BALANCING ============== 5678.91 LDB: ============== END OF LOAD BALANCING =============== 5678.91 LDB: =============== DONE WITH MIGRATION ================ 5678.91 LDB: ============= START OF LOAD BALANCING ============== 5679.3 LDB: ============== END OF LOAD BALANCING =============== 5679.3 LDB: =============== DONE WITH MIGRATION ================ 5679.3 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: 5676.99, 0.00392352/step Wall: 5676.99, 0.00392351/step, 1.1897 hours remaining, 114.156250 MB of memory in use. ENERGY: 1408400 640.5787 1868.9127 1966.4480 108.5645 0.2719 -1033.3175 0.0000 0.0000 2723.7235 6275.1817 300.8428 3551.4582 6309.3900 304.9280 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: 5677.78, 0.00392902/step Wall: 5677.78, 0.00392902/step, 1.19115 hours remaining, 114.156250 MB of memory in use. ENERGY: 1408600 646.5703 1843.4105 1955.6513 102.3229 0.1689 -1027.9542 0.0000 0.0000 2732.0805 6252.2503 301.7659 3520.1698 6285.0252 301.4192 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: 5678.56, 0.00391407/step Wall: 5678.56, 0.00391407/step, 1.1864 hours remaining, 114.156250 MB of memory in use. ENERGY: 1408800 621.9199 1860.0251 1976.4415 111.6089 -0.7714 -1032.1504 0.0000 0.0000 2757.5428 6294.6165 304.5783 3537.0737 6326.4977 302.2517 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: 5679.35, 0.0039153/step Wall: 5679.35, 0.0039153/step, 1.18655 hours remaining, 114.156250 MB of memory in use. ENERGY: 1409000 666.4874 1857.0230 1948.1342 102.6282 0.1889 -1054.1952 0.0000 0.0000 2751.6585 6271.9249 303.9283 3520.2664 6306.5930 301.7976 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: 5680.13, 0.00391508/step Wall: 5680.13, 0.00391508/step, 1.18627 hours remaining, 114.156250 MB of memory in use. ENERGY: 1409200 713.7829 1842.0868 1929.8340 107.0171 1.1688 -1075.0278 0.0000 0.0000 2754.2067 6273.0685 304.2098 3518.8619 6308.7852 302.9126 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: 5680.91, 0.00391729/step Wall: 5680.91, 0.00391729/step, 1.18672 hours remaining, 114.156250 MB of memory in use. ENERGY: 1409400 668.4688 1893.2431 1926.5193 115.2519 -0.1694 -1037.3541 0.0000 0.0000 2681.7519 6247.7116 296.2070 3565.9597 6281.4737 302.6462 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: 5681.7, 0.00391488/step Wall: 5681.7, 0.00391488/step, 1.18577 hours remaining, 114.156250 MB of memory in use. ENERGY: 1409600 701.9496 1826.0466 1952.3799 113.3679 -0.1353 -1083.5254 0.0000 0.0000 2698.9989 6209.0822 298.1119 3510.0832 6241.9807 301.4016 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: 5682.48, 0.00391166/step Wall: 5682.48, 0.00391166/step, 1.18458 hours remaining, 114.156250 MB of memory in use. ENERGY: 1409800 684.5158 1894.0743 1960.7364 105.5191 -0.9313 -1092.5293 0.0000 0.0000 2684.4649 6235.8500 296.5066 3551.3850 6267.1959 301.9309 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: 5683.26, 0.00391797/step Wall: 5683.26, 0.00391797/step, 1.18627 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1410000 669.5477 1847.5319 1892.7116 102.8853 -0.7190 -1058.6098 0.0000 0.0000 2709.4607 6162.8085 299.2675 3453.3477 6197.9644 298.8256 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1410000 WRITING COORDINATES TO DCD FILE MD.1.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: 5684.82, 0.0077687/step Wall: 5684.82, 0.00776869/step, 2.35176 hours remaining, 114.156250 MB of memory in use. ENERGY: 1410200 633.0694 1817.0082 1953.7036 108.2089 0.6532 -1065.2964 0.0000 0.0000 2721.4157 6168.7625 300.5879 3447.3469 6203.3230 296.7856 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: 5685.6, 0.00390972/step Wall: 5685.6, 0.00390972/step, 1.18334 hours remaining, 114.156250 MB of memory in use. ENERGY: 1410400 663.7842 1836.4199 1930.4745 120.0098 0.2897 -1064.1146 0.0000 0.0000 2704.8629 6191.7265 298.7596 3486.8636 6224.3359 297.9142 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: 5686.38, 0.00391577/step Wall: 5686.38, 0.00391577/step, 1.18495 hours remaining, 114.156250 MB of memory in use. ENERGY: 1410600 668.0350 1842.2418 1950.3336 115.3389 0.6231 -1068.8767 0.0000 0.0000 2720.6882 6228.3839 300.5076 3507.6957 6261.4544 299.6620 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: 5687.16, 0.00391305/step Wall: 5687.16, 0.00391305/step, 1.18392 hours remaining, 114.156250 MB of memory in use. ENERGY: 1410800 665.0458 1867.7328 1937.1415 119.3875 -0.4497 -1068.5688 0.0000 0.0000 2690.0172 6210.3063 297.1199 3520.2891 6243.2779 300.9506 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: 5687.95, 0.00391338/step Wall: 5687.95, 0.00391338/step, 1.1838 hours remaining, 114.156250 MB of memory in use. ENERGY: 1411000 676.4665 1870.7120 1958.6348 104.6947 0.7199 -1065.1847 0.0000 0.0000 2678.6999 6224.7432 295.8699 3546.0432 6256.0287 300.6283 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: 5688.73, 0.00391636/step Wall: 5688.73, 0.00391636/step, 1.18448 hours remaining, 114.156250 MB of memory in use. ENERGY: 1411200 692.0792 1827.2366 1944.5120 101.9875 0.3133 -1059.0460 0.0000 0.0000 2694.8327 6201.9152 297.6518 3507.0825 6235.5392 298.9357 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: 5689.51, 0.00391032/step Wall: 5689.51, 0.00391032/step, 1.18244 hours remaining, 114.156250 MB of memory in use. ENERGY: 1411400 671.9167 1837.9087 1983.9033 108.7201 0.0276 -1072.2633 0.0000 0.0000 2676.9250 6207.1382 295.6738 3530.2131 6235.6059 298.4662 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: 5690.29, 0.00391521/step Wall: 5690.29, 0.00391521/step, 1.1837 hours remaining, 114.156250 MB of memory in use. ENERGY: 1411600 647.4134 1864.6347 1948.0079 106.4090 0.6453 -1078.2853 0.0000 0.0000 2679.6771 6168.5021 295.9778 3488.8250 6199.1131 299.0973 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: 5691.08, 0.00391571/step Wall: 5691.08, 0.00391571/step, 1.18363 hours remaining, 114.156250 MB of memory in use. ENERGY: 1411800 635.9198 1781.0619 1942.3657 96.9083 1.5770 -1052.2406 0.0000 0.0000 2730.5338 6136.1258 301.5951 3405.5921 6168.7316 297.7065 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: 5691.86, 0.00391632/step Wall: 5691.86, 0.00391632/step, 1.1836 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1412000 616.5945 1851.9934 1927.2857 113.4105 0.7746 -1075.3868 0.0000 0.0000 2714.3076 6148.9795 299.8028 3434.6719 6182.4213 295.6402 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: 5692.64, 0.00391191/step Wall: 5692.64, 0.00391191/step, 1.18205 hours remaining, 114.156250 MB of memory in use. ENERGY: 1412200 623.3761 1884.4066 1950.9067 109.4158 1.5671 -1100.6111 0.0000 0.0000 2692.2513 6161.3124 297.3667 3469.0611 6195.0275 296.0287 LDB: ============= START OF LOAD BALANCING ============== 5695.34 LDB: ============== END OF LOAD BALANCING =============== 5695.34 LDB: =============== DONE WITH MIGRATION ================ 5695.34 LDB: ============= START OF LOAD BALANCING ============== 5695.74 LDB: ============== END OF LOAD BALANCING =============== 5695.74 LDB: =============== DONE WITH MIGRATION ================ 5695.74 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: 5693.43, 0.00392139/step Wall: 5693.43, 0.00392139/step, 1.1847 hours remaining, 114.156250 MB of memory in use. ENERGY: 1412400 651.6729 1822.2689 1964.2835 124.5844 0.7936 -1103.2583 0.0000 0.0000 2689.6582 6150.0032 297.0802 3460.3450 6182.8158 297.9937 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: 5694.21, 0.00391506/step Wall: 5694.21, 0.00391506/step, 1.18257 hours remaining, 114.156250 MB of memory in use. ENERGY: 1412600 652.2787 1785.4264 1970.2621 108.0182 -0.3319 -1081.0243 0.0000 0.0000 2658.0886 6092.7178 293.5933 3434.6292 6124.3377 295.9638 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: 5694.99, 0.00391621/step Wall: 5694.99, 0.00391621/step, 1.1827 hours remaining, 114.156250 MB of memory in use. ENERGY: 1412800 664.3251 1860.7737 1920.3013 104.5561 0.7312 -1108.8081 0.0000 0.0000 2596.3151 6038.1944 286.7702 3441.8793 6068.9199 292.6472 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: 5695.78, 0.00391394/step Wall: 5695.78, 0.00391394/step, 1.18179 hours remaining, 114.156250 MB of memory in use. ENERGY: 1413000 658.2827 1845.2255 1969.9418 114.3714 0.4006 -1097.5778 0.0000 0.0000 2606.2555 6096.8995 287.8682 3490.6441 6130.4388 291.9018 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: 5696.56, 0.00391078/step Wall: 5696.56, 0.00391078/step, 1.18062 hours remaining, 114.156250 MB of memory in use. ENERGY: 1413200 675.4416 1787.4498 1956.6206 98.4659 -0.0939 -1031.6279 0.0000 0.0000 2637.5433 6123.7993 291.3240 3486.2560 6152.4150 294.2695 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: 5697.34, 0.00391523/step Wall: 5697.34, 0.00391523/step, 1.18175 hours remaining, 114.156250 MB of memory in use. ENERGY: 1413400 582.6524 1832.7273 1994.7342 109.2228 0.0769 -1061.8407 0.0000 0.0000 2714.1612 6171.7340 299.7867 3457.5727 6206.5295 294.3482 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: 5698.12, 0.00391379/step Wall: 5698.12, 0.00391379/step, 1.18109 hours remaining, 114.156250 MB of memory in use. ENERGY: 1413600 667.3742 1876.2022 1962.7065 104.2276 -1.0858 -1100.8876 0.0000 0.0000 2689.9425 6198.4798 297.1116 3508.5373 6234.1052 298.6637 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: 5698.91, 0.00391685/step Wall: 5698.91, 0.00391685/step, 1.1818 hours remaining, 114.156250 MB of memory in use. ENERGY: 1413800 654.4147 1872.9168 1979.8088 99.8501 0.2145 -1083.8021 0.0000 0.0000 2673.6079 6197.0108 295.3074 3523.4029 6229.8242 297.9212 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: 5699.69, 0.00391001/step Wall: 5699.69, 0.00391001/step, 1.17952 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1414000 644.6217 1860.1109 1979.4677 109.0318 0.2934 -1048.3808 0.0000 0.0000 2672.2813 6217.4261 295.1609 3545.1447 6252.8390 299.2373 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: 5700.47, 0.00391646/step Wall: 5700.47, 0.00391646/step, 1.18125 hours remaining, 114.156250 MB of memory in use. ENERGY: 1414200 648.7302 1853.8741 1955.2255 106.5726 1.7172 -1034.8880 0.0000 0.0000 2740.5434 6271.7749 302.7007 3531.2315 6302.0507 300.3330 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: 5701.26, 0.00393185/step Wall: 5701.26, 0.00393185/step, 1.18567 hours remaining, 114.156250 MB of memory in use. ENERGY: 1414400 662.1017 1845.8883 1966.8538 111.6151 0.7500 -1054.8051 0.0000 0.0000 2726.7425 6259.1462 301.1763 3532.4038 6293.6710 302.4952 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: 5702.04, 0.00391693/step Wall: 5702.04, 0.00391693/step, 1.18095 hours remaining, 114.156250 MB of memory in use. ENERGY: 1414600 672.8641 1818.0506 1947.7800 103.8537 0.6646 -1053.7725 0.0000 0.0000 2714.0572 6203.4975 299.7752 3489.4404 6237.7752 300.2276 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: 5702.83, 0.00391834/step Wall: 5702.83, 0.00391834/step, 1.18116 hours remaining, 114.156250 MB of memory in use. ENERGY: 1414800 669.1224 1840.0110 1913.5443 103.9255 0.8237 -1056.2483 0.0000 0.0000 2735.6299 6206.8085 302.1579 3471.1786 6239.8945 298.6123 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: 5703.61, 0.00390914/step Wall: 5703.61, 0.00390914/step, 1.17817 hours remaining, 114.156250 MB of memory in use. ENERGY: 1415000 644.4322 1854.6888 1976.8441 114.1385 1.5496 -1084.6870 0.0000 0.0000 2633.3153 6140.2816 290.8570 3506.9663 6171.6002 299.8252 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: 5704.39, 0.0039164/step Wall: 5704.39, 0.0039164/step, 1.18014 hours remaining, 114.156250 MB of memory in use. ENERGY: 1415200 646.6229 1788.5050 1973.2833 101.1602 1.2109 -1112.8017 0.0000 0.0000 2726.9087 6124.8893 301.1947 3397.9806 6160.9496 296.6257 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: 5705.17, 0.00391652/step Wall: 5705.17, 0.00391652/step, 1.17996 hours remaining, 114.156250 MB of memory in use. ENERGY: 1415400 674.7963 1825.4247 1961.3117 111.7017 0.8746 -1096.5076 0.0000 0.0000 2682.3237 6159.9253 296.2701 3477.6015 6191.5658 295.8932 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: 5705.96, 0.00391767/step Wall: 5705.96, 0.00391767/step, 1.18009 hours remaining, 114.156250 MB of memory in use. ENERGY: 1415600 652.7617 1784.1657 1958.5818 98.8583 0.9005 -1067.6690 0.0000 0.0000 2723.3285 6150.9275 300.7992 3427.5989 6188.3624 296.5326 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: 5706.74, 0.00391689/step Wall: 5706.74, 0.00391689/step, 1.17964 hours remaining, 114.156250 MB of memory in use. ENERGY: 1415800 648.8181 1858.5166 1954.8602 104.3011 1.5144 -1069.6409 0.0000 0.0000 2658.2167 6156.5863 293.6074 3498.3696 6186.8546 297.7522 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: 5707.52, 0.0039081/step Wall: 5707.52, 0.0039081/step, 1.17677 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1416000 635.5872 1811.1410 1944.2547 108.4791 2.5279 -1055.7277 0.0000 0.0000 2740.6649 6186.9271 302.7141 3446.2622 6221.8748 297.8636 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: 5708.31, 0.00392903/step Wall: 5708.31, 0.00392903/step, 1.18286 hours remaining, 114.156250 MB of memory in use. ENERGY: 1416200 656.1061 1851.6458 1941.7819 104.8129 1.7581 -1079.6897 0.0000 0.0000 2698.4102 6174.8254 298.0469 3476.4152 6209.3279 298.7664 LDB: ============= START OF LOAD BALANCING ============== 5711.01 LDB: ============== END OF LOAD BALANCING =============== 5711.01 LDB: =============== DONE WITH MIGRATION ================ 5711.01 LDB: ============= START OF LOAD BALANCING ============== 5711.4 LDB: ============== END OF LOAD BALANCING =============== 5711.4 LDB: =============== DONE WITH MIGRATION ================ 5711.4 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: 5709.09, 0.00392369/step Wall: 5709.09, 0.00392369/step, 1.18103 hours remaining, 114.156250 MB of memory in use. ENERGY: 1416400 641.5233 1826.3449 1957.1441 108.2715 0.3813 -1116.5307 0.0000 0.0000 2714.6147 6131.7492 299.8368 3417.1346 6168.4813 297.2071 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: 5709.88, 0.00391827/step Wall: 5709.88, 0.00391827/step, 1.17918 hours remaining, 114.156250 MB of memory in use. ENERGY: 1416600 668.3509 1812.2959 1974.3222 116.4272 1.5450 -1093.5516 0.0000 0.0000 2715.7087 6195.0982 299.9576 3479.3895 6229.9603 296.5529 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: 5710.66, 0.00391057/step Wall: 5710.66, 0.00391057/step, 1.17665 hours remaining, 114.156250 MB of memory in use. ENERGY: 1416800 658.0483 1832.8634 1943.9133 97.4570 1.3397 -1027.5113 0.0000 0.0000 2749.2825 6255.3928 303.6659 3506.1103 6288.7366 300.1149 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: 5711.44, 0.00391707/step Wall: 5711.44, 0.00391707/step, 1.17839 hours remaining, 114.156250 MB of memory in use. ENERGY: 1417000 655.0771 1872.6723 1949.5545 102.1584 2.9561 -1037.1957 0.0000 0.0000 2673.2511 6218.4738 295.2680 3545.2228 6251.5411 301.2832 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: 5712.23, 0.00391482/step Wall: 5712.23, 0.00391482/step, 1.17749 hours remaining, 114.156250 MB of memory in use. ENERGY: 1417200 604.3330 1869.0723 1958.7650 115.6282 1.5973 -1018.6019 0.0000 0.0000 2718.0438 6248.8377 300.2155 3530.7939 6280.5635 300.3559 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: 5713.01, 0.00391901/step Wall: 5713.01, 0.00391901/step, 1.17853 hours remaining, 114.156250 MB of memory in use. ENERGY: 1417400 641.5620 1837.2213 1962.4916 110.7229 3.8015 -1084.9911 0.0000 0.0000 2760.1687 6230.9769 304.8683 3470.8083 6266.2664 301.3980 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: 5713.79, 0.00392031/step Wall: 5713.79, 0.00392031/step, 1.17871 hours remaining, 114.156250 MB of memory in use. ENERGY: 1417600 655.4888 1870.1119 1929.7875 107.8010 2.1371 -1058.8542 0.0000 0.0000 2720.2987 6226.7708 300.4646 3506.4721 6258.8553 301.6321 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: 5714.58, 0.00391296/step Wall: 5714.58, 0.00391296/step, 1.17628 hours remaining, 114.156250 MB of memory in use. ENERGY: 1417800 666.6032 1838.0139 1921.2341 98.8686 2.5150 -1044.7243 0.0000 0.0000 2713.3280 6195.8385 299.6946 3482.5105 6227.8825 298.2007 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: 5715.36, 0.00391639/step Wall: 5715.36, 0.00391639/step, 1.17709 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1418000 635.4494 1829.9060 1977.9824 104.2434 2.5915 -1059.2426 0.0000 0.0000 2721.2100 6212.1402 300.5652 3490.9302 6246.7746 297.7261 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: 5716.14, 0.0039162/step Wall: 5716.14, 0.0039162/step, 1.17682 hours remaining, 114.156250 MB of memory in use. ENERGY: 1418200 670.7614 1841.3674 1945.0505 100.9670 2.4071 -1058.5747 0.0000 0.0000 2707.5340 6209.5127 299.0547 3501.9787 6242.9865 297.6167 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: 5716.93, 0.00391852/step Wall: 5716.93, 0.00391852/step, 1.1773 hours remaining, 114.156250 MB of memory in use. ENERGY: 1418400 680.4923 1864.0278 1923.0970 96.9824 2.3219 -1079.4898 0.0000 0.0000 2737.6509 6225.0825 302.3812 3487.4317 6257.5599 298.4509 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: 5717.71, 0.00391025/step Wall: 5717.71, 0.00391025/step, 1.1746 hours remaining, 114.156250 MB of memory in use. ENERGY: 1418600 677.8646 1787.7961 1950.9328 107.3463 1.8055 -1052.6082 0.0000 0.0000 2774.9984 6248.1355 306.5063 3473.1371 6281.9260 300.8661 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: 5718.49, 0.00392178/step Wall: 5718.49, 0.00392178/step, 1.17784 hours remaining, 114.156250 MB of memory in use. ENERGY: 1418800 667.3779 1853.3114 1935.7623 105.8640 1.2341 -1052.3185 0.0000 0.0000 2694.1655 6205.3967 297.5781 3511.2312 6236.1021 300.7594 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: 5719.28, 0.00391536/step Wall: 5719.28, 0.00391536/step, 1.17569 hours remaining, 114.156250 MB of memory in use. ENERGY: 1419000 660.6293 1851.5859 1951.2804 96.2757 2.0643 -1042.1728 0.0000 0.0000 2697.7235 6217.3864 297.9711 3519.6629 6246.7907 299.0734 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: 5720.06, 0.00391651/step Wall: 5720.06, 0.0039165/step, 1.17582 hours remaining, 114.156250 MB of memory in use. ENERGY: 1419200 619.3463 1848.8779 1949.1764 100.5630 0.8092 -1042.8497 0.0000 0.0000 2713.5634 6189.4864 299.7206 3475.9230 6223.3672 299.9680 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: 5720.84, 0.00391703/step Wall: 5720.84, 0.00391703/step, 1.17576 hours remaining, 114.156250 MB of memory in use. ENERGY: 1419400 661.8298 1853.8365 1943.7522 115.5266 2.1359 -1066.0784 0.0000 0.0000 2635.6791 6146.6816 291.1181 3511.0025 6176.2848 298.4919 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: 5721.62, 0.00390966/step Wall: 5721.62, 0.00390965/step, 1.17333 hours remaining, 114.156250 MB of memory in use. ENERGY: 1419600 661.6596 1848.4698 1953.1869 97.8735 1.6997 -1083.7113 0.0000 0.0000 2677.2953 6156.4735 295.7147 3479.1782 6189.4196 298.1368 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: 5722.41, 0.00391703/step Wall: 5722.41, 0.00391704/step, 1.17533 hours remaining, 114.156250 MB of memory in use. ENERGY: 1419800 687.7705 1849.7698 1934.9864 107.6903 2.7493 -1095.5339 0.0000 0.0000 2675.9193 6163.3519 295.5627 3487.4326 6194.3845 297.3911 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: 5723.19, 0.00391837/step Wall: 5723.19, 0.00391837/step, 1.17551 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1420000 643.3741 1916.4081 1934.4052 106.8095 1.0230 -1039.7252 0.0000 0.0000 2697.0605 6259.3551 297.8978 3562.2947 6290.8025 300.6721 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1420000 WRITING COORDINATES TO DCD FILE MD.1.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: 5727.45, 0.0213101/step Wall: 5727.45, 0.0213101/step, 6.39186 hours remaining, 114.156250 MB of memory in use. ENERGY: 1420200 633.2131 1836.3715 1976.5085 98.4395 1.8263 -1085.5430 0.0000 0.0000 2773.7859 6234.6017 306.3724 3460.8158 6270.5639 300.8371 LDB: ============= START OF LOAD BALANCING ============== 5730.16 LDB: ============== END OF LOAD BALANCING =============== 5730.16 LDB: =============== DONE WITH MIGRATION ================ 5730.16 LDB: ============= START OF LOAD BALANCING ============== 5730.55 LDB: ============== END OF LOAD BALANCING =============== 5730.55 LDB: =============== DONE WITH MIGRATION ================ 5730.55 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: 5728.24, 0.00392197/step Wall: 5728.24, 0.00392197/step, 1.17615 hours remaining, 114.156250 MB of memory in use. ENERGY: 1420400 679.0626 1826.8175 1954.8141 111.7664 1.4942 -1081.7022 0.0000 0.0000 2697.6186 6189.8712 297.9595 3492.2526 6222.5485 300.0626 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: 5729.02, 0.00391935/step Wall: 5729.02, 0.00391935/step, 1.17515 hours remaining, 114.156250 MB of memory in use. ENERGY: 1420600 697.9260 1838.8443 1945.0751 112.1908 2.8069 -1091.2559 0.0000 0.0000 2697.7941 6203.3811 297.9789 3505.5870 6237.3856 299.8519 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: 5729.81, 0.00391824/step Wall: 5729.81, 0.00391824/step, 1.1746 hours remaining, 114.156250 MB of memory in use. ENERGY: 1420800 671.9147 1883.4085 1931.5806 105.8052 1.8027 -1088.7405 0.0000 0.0000 2657.1201 6162.8913 293.4863 3505.7712 6193.9851 297.6281 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: 5730.59, 0.00391289/step Wall: 5730.59, 0.00391289/step, 1.17278 hours remaining, 114.156250 MB of memory in use. ENERGY: 1421000 673.3445 1870.8159 1959.6471 106.5739 1.4475 -1112.2992 0.0000 0.0000 2690.3814 6189.9111 297.1601 3499.5297 6223.1987 297.6817 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: 5731.37, 0.00391739/step Wall: 5731.37, 0.00391739/step, 1.17391 hours remaining, 114.156250 MB of memory in use. ENERGY: 1421200 698.1034 1821.4220 1931.9176 108.9215 1.9963 -1091.5560 0.0000 0.0000 2716.5565 6187.3613 300.0512 3470.8047 6217.9687 300.1517 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: 5732.15, 0.00391693/step Wall: 5732.15, 0.00391693/step, 1.17356 hours remaining, 114.156250 MB of memory in use. ENERGY: 1421400 640.2114 1886.0385 1955.9004 111.2692 2.1472 -1100.8702 0.0000 0.0000 2679.6024 6174.2989 295.9695 3494.6965 6207.0510 298.0264 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: 5732.94, 0.00392066/step Wall: 5732.94, 0.00392066/step, 1.17446 hours remaining, 114.156250 MB of memory in use. ENERGY: 1421600 659.6759 1825.6877 1936.5899 111.5093 0.9572 -1042.4301 0.0000 0.0000 2650.9602 6142.9502 292.8059 3491.9899 6172.6731 296.5738 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: 5733.72, 0.0039107/step Wall: 5733.72, 0.0039107/step, 1.17126 hours remaining, 114.156250 MB of memory in use. ENERGY: 1421800 659.9193 1811.5174 1935.2849 104.4759 0.3645 -1099.6628 0.0000 0.0000 2687.2138 6099.1131 296.8102 3411.8993 6133.5085 295.5374 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: 5734.5, 0.00391682/step Wall: 5734.5, 0.00391682/step, 1.17287 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1422000 659.4463 1806.0691 1932.0198 114.7099 0.6248 -1089.7321 0.0000 0.0000 2657.3817 6080.5196 293.5152 3423.1379 6112.5591 292.9145 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: 5735.29, 0.0039171/step Wall: 5735.29, 0.0039171/step, 1.17274 hours remaining, 114.156250 MB of memory in use. ENERGY: 1422200 606.2601 1870.0175 1927.9996 112.2417 1.9750 -1073.0821 0.0000 0.0000 2674.5565 6119.9683 295.4122 3445.4118 6155.5590 295.7620 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: 5736.07, 0.00391912/step Wall: 5736.07, 0.00391912/step, 1.17312 hours remaining, 114.156250 MB of memory in use. ENERGY: 1422400 647.1666 1807.3821 1928.1310 107.6052 2.4644 -1057.0081 0.0000 0.0000 2700.5629 6136.3041 298.2847 3435.7412 6171.9775 294.6686 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: 5736.86, 0.00391965/step Wall: 5736.86, 0.00391965/step, 1.17306 hours remaining, 114.156250 MB of memory in use. ENERGY: 1422600 618.5027 1850.5754 1955.2695 107.6923 1.2099 -1087.5475 0.0000 0.0000 2688.5339 6134.2362 296.9561 3445.7023 6166.0709 295.8170 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: 5737.64, 0.00391201/step Wall: 5737.64, 0.00391201/step, 1.17056 hours remaining, 114.156250 MB of memory in use. ENERGY: 1422800 610.7680 1830.3860 1963.1798 103.4705 1.6754 -1065.9570 0.0000 0.0000 2688.6478 6132.1705 296.9686 3443.5227 6165.3309 296.1350 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: 5738.42, 0.00391948/step Wall: 5738.42, 0.00391948/step, 1.17258 hours remaining, 114.156250 MB of memory in use. ENERGY: 1423000 651.6104 1822.2069 1944.7107 104.4710 2.9561 -1049.3560 0.0000 0.0000 2651.4350 6128.0341 292.8584 3476.5991 6156.2200 296.5987 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: 5739.21, 0.00391781/step Wall: 5739.21, 0.00391781/step, 1.17186 hours remaining, 114.156250 MB of memory in use. ENERGY: 1423200 648.3500 1820.1961 1946.2063 108.7245 2.3959 -1077.0687 0.0000 0.0000 2698.3674 6147.1716 298.0422 3448.8042 6181.6045 294.2092 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: 5739.99, 0.00391767/step Wall: 5739.99, 0.00391767/step, 1.1716 hours remaining, 114.156250 MB of memory in use. ENERGY: 1423400 649.4829 1818.6672 1958.6541 113.5362 2.1958 -1057.8963 0.0000 0.0000 2729.5981 6214.2382 301.4917 3484.6401 6248.0335 298.1454 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: 5740.77, 0.00391073/step Wall: 5740.77, 0.00391073/step, 1.16931 hours remaining, 114.156250 MB of memory in use. ENERGY: 1423600 659.9096 1847.3310 1959.3812 108.3789 2.5291 -1056.6062 0.0000 0.0000 2709.5439 6230.4676 299.2767 3520.9237 6261.8486 299.5775 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: 5741.55, 0.00391675/step Wall: 5741.55, 0.00391675/step, 1.17089 hours remaining, 114.156250 MB of memory in use. ENERGY: 1423800 665.1835 1818.0312 1974.7388 111.3616 3.4889 -1102.2975 0.0000 0.0000 2733.5383 6204.0448 301.9269 3470.5065 6238.2414 300.0289 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: 5742.34, 0.00391833/step Wall: 5742.34, 0.00391833/step, 1.17115 hours remaining, 114.156250 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1424000 632.2064 1826.6976 1948.3795 118.6249 3.3785 -1052.0210 0.0000 0.0000 2716.6948 6193.9606 300.0665 3477.2659 6227.4024 299.8349 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: 5743.12, 0.00391827/step Wall: 5743.12, 0.00391827/step, 1.17091 hours remaining, 114.156250 MB of memory in use. ENERGY: 1424200 656.5700 1853.2781 1939.6944 104.0145 3.1926 -1057.8803 0.0000 0.0000 2733.9665 6232.8357 301.9742 3498.8693 6267.1591 300.1287 LDB: ============= START OF LOAD BALANCING ============== 5745.82 LDB: ============== END OF LOAD BALANCING =============== 5745.82 LDB: =============== DONE WITH MIGRATION ================ 5745.82 LDB: ============= START OF LOAD BALANCING ============== 5746.22 LDB: ============== END OF LOAD BALANCING =============== 5746.22 LDB: =============== DONE WITH MIGRATION ================ 5746.22 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: 5743.91, 0.00392403/step Wall: 5743.91, 0.00392403/step, 1.17241 hours remaining, 114.156250 MB of memory in use. ENERGY: 1424400 688.3530 1839.3669 1954.1742 112.5594 1.9379 -1073.4861 0.0000 0.0000 2707.5676 6230.4729 299.0584 3522.9053 6263.7768 301.2290 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: 5744.69, 0.00391268/step Wall: 5744.69, 0.00391268/step, 1.1688 hours remaining, 114.156250 MB of memory in use. ENERGY: 1424600 667.5527 1859.3974 1942.6290 112.6270 1.9708 -1055.7889 0.0000 0.0000 2700.3282 6228.7162 298.2588 3528.3880 6261.1850 301.1074 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: 5745.47, 0.00391842/step Wall: 5745.47, 0.00391842/step, 1.1703 hours remaining, 114.156250 MB of memory in use. ENERGY: 1424800 653.3520 1875.8128 1940.4436 103.4419 2.2196 -1091.4044 0.0000 0.0000 2695.6868 6179.5523 297.7461 3483.8655 6213.2895 298.7711 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: 5746.26, 0.003919/step Wall: 5746.26, 0.003919/step, 1.17026 hours remaining, 114.156250 MB of memory in use. ENERGY: 1425000 661.3406 1856.3130 1941.8013 102.1646 1.2164 -1102.5626 0.0000 0.0000 2659.3486 6119.6218 293.7325 3460.2733 6151.0691 296.2600 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: 5747.04, 0.00391947/step Wall: 5747.04, 0.00391947/step, 1.17018 hours remaining, 114.164062 MB of memory in use. ENERGY: 1425200 650.6236 1822.1373 1999.4006 101.8432 1.5148 -1100.4972 0.0000 0.0000 2699.1666 6174.1888 298.1305 3475.0222 6205.9481 296.4733 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: 5747.82, 0.00391796/step Wall: 5747.82, 0.00391796/step, 1.16951 hours remaining, 114.164062 MB of memory in use. ENERGY: 1425400 623.0881 1845.0148 1958.2820 106.2175 3.7031 -1105.2901 0.0000 0.0000 2696.9564 6127.9718 297.8864 3431.0154 6162.6789 298.2480 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: 5748.61, 0.00391369/step Wall: 5748.61, 0.00391369/step, 1.16802 hours remaining, 114.164062 MB of memory in use. ENERGY: 1425600 652.2551 1794.1830 1978.0243 119.3406 1.9917 -1099.0311 0.0000 0.0000 2660.8218 6107.5854 293.8952 3446.7636 6139.7421 296.4629 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: 5749.39, 0.00392097/step Wall: 5749.39, 0.00392097/step, 1.16998 hours remaining, 114.164062 MB of memory in use. ENERGY: 1425800 649.5301 1833.3354 1951.6944 109.3311 3.1304 -1122.1613 0.0000 0.0000 2696.0385 6120.8987 297.7850 3424.8602 6155.3343 294.1495 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: 5750.17, 0.0039176/step Wall: 5750.17, 0.0039176/step, 1.16875 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1426000 674.7066 1797.7140 1937.9847 101.5244 1.2789 -1062.5623 0.0000 0.0000 2664.1870 6114.8332 294.2669 3450.6463 6146.1561 294.7896 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: 5750.96, 0.00391788/step Wall: 5750.96, 0.00391788/step, 1.16862 hours remaining, 114.164062 MB of memory in use. ENERGY: 1426200 655.6181 1822.4740 1955.5775 109.7836 1.5116 -1069.3416 0.0000 0.0000 2660.6114 6136.2346 293.8719 3475.6232 6168.2289 295.4522 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: 5751.74, 0.00391083/step Wall: 5751.74, 0.00391083/step, 1.1663 hours remaining, 114.164062 MB of memory in use. ENERGY: 1426400 626.1232 1811.3039 1996.0554 114.2532 1.2070 -1096.1841 0.0000 0.0000 2694.9161 6147.6747 297.6610 3452.7587 6179.7898 294.3065 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: 5752.52, 0.00391882/step Wall: 5752.52, 0.00391882/step, 1.16846 hours remaining, 114.164062 MB of memory in use. ENERGY: 1426600 656.7150 1813.7520 1974.5454 111.6549 1.4547 -1087.6430 0.0000 0.0000 2658.6705 6129.1495 293.6576 3470.4790 6159.8133 294.9384 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: 5753.31, 0.00391616/step Wall: 5753.31, 0.00391616/step, 1.16745 hours remaining, 114.164062 MB of memory in use. ENERGY: 1426800 649.7214 1804.0231 1949.3474 104.1553 1.7944 -1107.9460 0.0000 0.0000 2687.5166 6088.6120 296.8437 3401.0955 6122.0659 295.0833 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: 5754.09, 0.00391646/step Wall: 5754.09, 0.00391646/step, 1.16732 hours remaining, 114.164062 MB of memory in use. ENERGY: 1427000 626.6588 1801.4849 1973.4930 107.6439 2.4202 -1057.1913 0.0000 0.0000 2663.2558 6117.7654 294.1640 3454.5095 6149.0293 294.4639 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: 5754.87, 0.00391772/step Wall: 5754.87, 0.00391772/step, 1.16748 hours remaining, 114.164062 MB of memory in use. ENERGY: 1427200 631.3982 1803.9749 1974.3291 114.7460 1.9008 -1068.5411 0.0000 0.0000 2636.9761 6094.7839 291.2614 3457.8078 6125.6806 293.4387 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: 5755.66, 0.00391164/step Wall: 5755.66, 0.00391164/step, 1.16545 hours remaining, 114.164062 MB of memory in use. ENERGY: 1427400 654.5889 1826.8436 1983.8733 112.6854 3.9979 -1087.4267 0.0000 0.0000 2687.7491 6182.3116 296.8694 3494.5625 6213.3403 296.1681 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: 5756.44, 0.00391645/step Wall: 5756.44, 0.00391645/step, 1.16667 hours remaining, 114.164062 MB of memory in use. ENERGY: 1427600 658.8029 1817.6236 1940.5584 115.2498 2.1035 -1058.4788 0.0000 0.0000 2691.1495 6167.0089 297.2450 3475.8594 6201.7347 297.6385 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: 5757.22, 0.00391386/step Wall: 5757.22, 0.00391386/step, 1.16568 hours remaining, 114.164062 MB of memory in use. ENERGY: 1427800 654.6382 1796.5167 1950.0140 113.3158 1.2633 -1069.6828 0.0000 0.0000 2688.1447 6134.2099 296.9131 3446.0652 6168.1978 296.6840 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: 5758.01, 0.00392142/step Wall: 5758.01, 0.00392142/step, 1.16771 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1428000 660.0476 1871.1064 1956.1578 115.4422 2.8699 -1068.2473 0.0000 0.0000 2662.0755 6199.4521 294.0337 3537.3766 6231.0145 297.1916 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: 5758.79, 0.0039141/step Wall: 5758.79, 0.0039141/step, 1.16531 hours remaining, 114.164062 MB of memory in use. ENERGY: 1428200 660.2895 1852.0489 1979.0710 110.6658 2.0494 -1033.9064 0.0000 0.0000 2657.3485 6227.5668 293.5115 3570.2183 6259.4452 298.7154 LDB: ============= START OF LOAD BALANCING ============== 5761.49 LDB: ============== END OF LOAD BALANCING =============== 5761.49 LDB: =============== DONE WITH MIGRATION ================ 5761.49 LDB: ============= START OF LOAD BALANCING ============== 5761.88 LDB: ============== END OF LOAD BALANCING =============== 5761.88 LDB: =============== DONE WITH MIGRATION ================ 5761.88 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: 5759.57, 0.00392044/step Wall: 5759.57, 0.00392043/step, 1.16698 hours remaining, 114.164062 MB of memory in use. ENERGY: 1428400 650.5907 1786.7705 1961.8650 110.4666 1.7782 -1017.9778 0.0000 0.0000 2756.9258 6250.4189 304.5101 3493.4931 6288.5385 300.2010 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: 5760.36, 0.00391549/step Wall: 5760.36, 0.0039155/step, 1.1653 hours remaining, 114.164062 MB of memory in use. ENERGY: 1428600 651.1819 1857.0613 1976.3356 108.0758 2.5033 -1072.5134 0.0000 0.0000 2674.1854 6196.8300 295.3712 3522.6446 6231.3091 299.8247 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: 5761.14, 0.00391473/step Wall: 5761.14, 0.00391473/step, 1.16485 hours remaining, 114.164062 MB of memory in use. ENERGY: 1428800 660.5294 1860.8275 1975.2842 107.5312 2.7106 -1070.8729 0.0000 0.0000 2637.7227 6173.7327 291.3438 3536.0100 6204.6048 296.7325 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: 5761.92, 0.0039138/step Wall: 5761.92, 0.0039138/step, 1.16436 hours remaining, 114.164062 MB of memory in use. ENERGY: 1429000 628.1517 1880.7418 1939.8470 97.6609 3.5677 -1059.9091 0.0000 0.0000 2678.4397 6168.4999 295.8411 3490.0602 6203.5022 297.4443 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: 5762.7, 0.00391185/step Wall: 5762.7, 0.00391185/step, 1.16356 hours remaining, 114.164062 MB of memory in use. ENERGY: 1429200 667.8817 1804.5178 1963.9677 115.6760 4.0484 -1053.1025 0.0000 0.0000 2692.7278 6195.7169 297.4193 3502.9891 6228.8887 299.3729 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: 5763.49, 0.00391736/step Wall: 5763.49, 0.00391736/step, 1.16498 hours remaining, 114.164062 MB of memory in use. ENERGY: 1429400 632.5012 1817.8237 1977.6603 118.1223 3.8942 -1056.9247 0.0000 0.0000 2711.4603 6204.5373 299.4883 3493.0769 6237.6835 299.3818 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: 5764.27, 0.00391335/step Wall: 5764.27, 0.00391335/step, 1.16357 hours remaining, 114.164062 MB of memory in use. ENERGY: 1429600 650.1222 1830.4461 1974.0933 104.9267 2.2155 -1100.0919 0.0000 0.0000 2676.5366 6138.2486 295.6309 3461.7119 6170.3650 298.8406 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: 5765.05, 0.00391603/step Wall: 5765.05, 0.00391603/step, 1.16415 hours remaining, 114.164062 MB of memory in use. ENERGY: 1429800 647.0754 1758.7260 1948.9427 106.1448 3.3170 -1039.9897 0.0000 0.0000 2690.2834 6114.4996 297.1493 3424.2162 6146.6561 296.3346 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: 5765.84, 0.00391187/step Wall: 5765.84, 0.00391187/step, 1.16269 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1430000 611.2369 1830.6815 1963.0017 107.6345 2.3088 -1045.5332 0.0000 0.0000 2670.5682 6139.8985 294.9717 3469.3303 6173.6376 295.3022 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1430000 WRITING COORDINATES TO DCD FILE MD.1.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: 5767.3, 0.00730526/step Wall: 5767.3, 0.00730526/step, 2.17088 hours remaining, 114.164062 MB of memory in use. ENERGY: 1430200 657.4560 1837.1020 1922.4348 99.9800 3.0827 -1064.1729 0.0000 0.0000 2648.4388 6104.3213 292.5274 3455.8826 6133.7020 295.6412 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: 5768.12, 0.00408716/step Wall: 5768.12, 0.00408716/step, 1.21434 hours remaining, 114.164062 MB of memory in use. ENERGY: 1430400 653.0120 1839.5007 1943.5059 106.8750 3.7016 -1070.7307 0.0000 0.0000 2678.5944 6154.4590 295.8582 3475.8646 6186.9175 296.6820 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: 5768.9, 0.00393493/step Wall: 5768.9, 0.00393493/step, 1.16889 hours remaining, 114.164062 MB of memory in use. ENERGY: 1430600 662.6987 1816.9162 1945.6657 108.0347 1.8896 -1095.0208 0.0000 0.0000 2660.5553 6100.7394 293.8657 3440.1841 6134.8615 295.5815 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: 5769.68, 0.00391228/step Wall: 5769.68, 0.00391228/step, 1.16195 hours remaining, 114.164062 MB of memory in use. ENERGY: 1430800 650.3881 1788.1968 1961.0670 109.0042 2.8174 -1090.0615 0.0000 0.0000 2708.0192 6129.4312 299.1083 3421.4119 6165.4821 294.6282 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: 5770.47, 0.00391497/step Wall: 5770.47, 0.00391497/step, 1.16253 hours remaining, 114.164062 MB of memory in use. ENERGY: 1431000 648.0131 1863.6974 1952.1386 94.9597 2.6041 -1073.5206 0.0000 0.0000 2689.7643 6177.6565 297.0920 3487.8922 6210.3483 298.9433 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: 5771.25, 0.00391363/step Wall: 5771.25, 0.00391362/step, 1.16191 hours remaining, 114.164062 MB of memory in use. ENERGY: 1431200 628.1962 1870.6651 1951.8082 95.9094 2.1082 -1098.9846 0.0000 0.0000 2760.9154 6210.6179 304.9508 3449.7026 6245.3128 299.9796 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: 5772.03, 0.00391536/step Wall: 5772.03, 0.00391536/step, 1.16221 hours remaining, 114.164062 MB of memory in use. ENERGY: 1431400 649.9755 1792.8414 1945.4027 98.8461 2.6403 -1088.9843 0.0000 0.0000 2776.1060 6176.8277 306.6286 3400.7217 6212.4272 301.1447 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: 5772.82, 0.00391054/step Wall: 5772.82, 0.00391054/step, 1.16056 hours remaining, 114.164062 MB of memory in use. ENERGY: 1431600 659.2788 1856.5155 1944.7792 103.2050 1.9749 -1060.4290 0.0000 0.0000 2698.6456 6203.9702 298.0729 3505.3245 6236.7962 299.2789 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: 5773.6, 0.00391239/step Wall: 5773.6, 0.00391239/step, 1.16089 hours remaining, 114.164062 MB of memory in use. ENERGY: 1431800 646.7786 1852.5203 1966.8841 115.4185 1.9646 -1066.5643 0.0000 0.0000 2736.1655 6253.1672 302.2171 3517.0017 6288.6516 301.8800 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: 5774.38, 0.0039125/step Wall: 5774.38, 0.0039125/step, 1.16071 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1432000 657.3496 1859.6719 1946.7246 118.0568 2.7967 -1067.4412 0.0000 0.0000 2693.8398 6210.9982 297.5421 3517.1584 6243.4536 300.7516 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: 5775.16, 0.00391398/step Wall: 5775.16, 0.00391398/step, 1.16093 hours remaining, 114.164062 MB of memory in use. ENERGY: 1432200 684.4092 1890.8308 1920.8311 103.2189 1.6862 -1052.2459 0.0000 0.0000 2693.6747 6242.4050 297.5239 3548.7303 6273.3058 299.8542 LDB: ============= START OF LOAD BALANCING ============== 5777.86 LDB: ============== END OF LOAD BALANCING =============== 5777.86 LDB: =============== DONE WITH MIGRATION ================ 5777.86 LDB: ============= START OF LOAD BALANCING ============== 5778.26 LDB: ============== END OF LOAD BALANCING =============== 5778.26 LDB: =============== DONE WITH MIGRATION ================ 5778.26 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: 5775.95, 0.00391971/step Wall: 5775.95, 0.00391971/step, 1.16241 hours remaining, 114.164062 MB of memory in use. ENERGY: 1432400 645.4126 1869.7841 1939.4209 114.6412 1.8928 -1053.2957 0.0000 0.0000 2726.9869 6244.8427 301.2033 3517.8558 6277.8468 300.4731 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: 5776.73, 0.00391022/step Wall: 5776.73, 0.00391021/step, 1.15938 hours remaining, 114.164062 MB of memory in use. ENERGY: 1432600 669.6489 1920.1538 1934.2948 101.7986 2.9001 -1082.7056 0.0000 0.0000 2723.7470 6269.8375 300.8454 3546.0905 6301.9855 302.4058 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: 5777.51, 0.00391049/step Wall: 5777.51, 0.0039105/step, 1.15924 hours remaining, 114.164062 MB of memory in use. ENERGY: 1432800 666.5335 1833.0114 1945.6506 109.4707 3.1771 -1067.1302 0.0000 0.0000 2704.7812 6195.4942 298.7506 3490.7131 6229.3440 301.1672 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: 5778.29, 0.00391275/step Wall: 5778.29, 0.00391275/step, 1.1597 hours remaining, 114.164062 MB of memory in use. ENERGY: 1433000 662.7356 1897.0861 1938.0912 108.3409 3.4386 -1086.4691 0.0000 0.0000 2667.5845 6190.8077 294.6421 3523.2232 6220.4895 298.4965 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: 5779.08, 0.00390985/step Wall: 5779.08, 0.00390985/step, 1.15862 hours remaining, 114.164062 MB of memory in use. ENERGY: 1433200 650.0663 1855.5203 1983.0101 99.8045 2.3800 -1118.6894 0.0000 0.0000 2690.5834 6162.6751 297.1824 3472.0918 6195.3278 297.3160 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: 5779.86, 0.00391163/step Wall: 5779.86, 0.00391163/step, 1.15893 hours remaining, 114.164062 MB of memory in use. ENERGY: 1433400 655.9247 1836.1797 1928.2933 100.8931 1.4344 -1089.4510 0.0000 0.0000 2709.4603 6142.7345 299.2674 3433.2742 6178.5784 298.3208 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: 5780.64, 0.00391098/step Wall: 5780.64, 0.00391098/step, 1.15852 hours remaining, 114.164062 MB of memory in use. ENERGY: 1433600 609.6402 1852.2435 1965.2472 105.5048 1.4359 -1100.1565 0.0000 0.0000 2686.8608 6120.7758 296.7713 3433.9150 6153.1697 296.3135 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: 5781.42, 0.00391034/step Wall: 5781.42, 0.00391034/step, 1.15811 hours remaining, 114.164062 MB of memory in use. ENERGY: 1433800 630.3202 1842.4403 1964.3851 106.4550 2.0491 -1090.1227 0.0000 0.0000 2661.8315 6117.3586 294.0067 3455.5271 6149.7252 294.5125 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: 5782.2, 0.00391219/step Wall: 5782.2, 0.00391219/step, 1.15844 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1434000 593.8734 1908.8333 1962.8561 108.3646 3.0538 -1086.2421 0.0000 0.0000 2689.3651 6180.1041 297.0479 3490.7390 6210.1244 297.9546 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: 5782.99, 0.00391012/step Wall: 5782.99, 0.00391012/step, 1.15761 hours remaining, 114.164062 MB of memory in use. ENERGY: 1434200 635.6792 1837.4166 1966.0923 106.3139 3.4100 -1058.9881 0.0000 0.0000 2719.8857 6209.8097 300.4190 3489.9239 6241.0090 299.8264 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: 5783.77, 0.00391302/step Wall: 5783.77, 0.00391302/step, 1.15825 hours remaining, 114.164062 MB of memory in use. ENERGY: 1434400 643.7927 1887.1762 1984.4192 100.0952 2.3991 -1077.9827 0.0000 0.0000 2701.6147 6241.5143 298.4009 3539.8996 6273.1791 302.3373 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: 5784.55, 0.00391093/step Wall: 5784.55, 0.00391093/step, 1.15742 hours remaining, 114.164062 MB of memory in use. ENERGY: 1434600 653.4869 1803.6424 1959.7161 104.4664 2.2453 -1069.3824 0.0000 0.0000 2722.4321 6176.6068 300.7002 3454.1747 6209.6587 300.3044 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: 5785.33, 0.00391169/step Wall: 5785.33, 0.00391169/step, 1.15743 hours remaining, 114.164062 MB of memory in use. ENERGY: 1434800 636.5464 1803.5609 2029.7961 104.1355 2.5825 -1082.0005 0.0000 0.0000 2740.1507 6234.7716 302.6573 3494.6209 6271.4190 300.0713 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: 5786.12, 0.00391332/step Wall: 5786.12, 0.00391332/step, 1.15769 hours remaining, 114.164062 MB of memory in use. ENERGY: 1435000 633.1633 1853.4926 1978.5154 101.2319 2.5107 -1051.1311 0.0000 0.0000 2681.8816 6199.6644 296.2213 3517.7828 6232.7118 300.8703 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: 5786.9, 0.00391225/step Wall: 5786.9, 0.00391225/step, 1.15716 hours remaining, 114.164062 MB of memory in use. ENERGY: 1435200 650.9792 1828.8585 1962.1572 111.3508 1.7821 -1075.3463 0.0000 0.0000 2724.4210 6204.2024 300.9199 3479.7815 6235.5401 299.7975 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: 5787.68, 0.00391199/step Wall: 5787.68, 0.00391199/step, 1.15686 hours remaining, 114.164062 MB of memory in use. ENERGY: 1435400 679.4966 1854.9816 1972.8167 106.6705 2.0705 -1079.6021 0.0000 0.0000 2669.2431 6205.6770 294.8253 3536.4339 6235.4771 300.9587 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: 5788.46, 0.00391419/step Wall: 5788.46, 0.00391419/step, 1.1573 hours remaining, 114.164062 MB of memory in use. ENERGY: 1435600 656.4762 1848.8961 1982.3156 111.9511 2.7115 -1077.7571 0.0000 0.0000 2673.0464 6197.6398 295.2454 3524.5934 6228.8183 298.5423 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: 5789.25, 0.00391281/step Wall: 5789.25, 0.00391281/step, 1.15667 hours remaining, 114.164062 MB of memory in use. ENERGY: 1435800 641.2558 1812.5765 1993.8455 112.8182 1.7891 -1035.5278 0.0000 0.0000 2711.8184 6238.5758 299.5279 3526.7574 6268.0185 299.0803 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: 5790.03, 0.0039107/step Wall: 5790.03, 0.00391069/step, 1.15583 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1436000 644.0514 1860.4808 1964.2473 100.5856 2.3807 -1091.1515 0.0000 0.0000 2754.8186 6235.4129 304.2774 3480.5943 6268.6378 301.0655 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: 5790.81, 0.00391163/step Wall: 5790.81, 0.00391164/step, 1.15589 hours remaining, 114.164062 MB of memory in use. ENERGY: 1436200 617.6982 1842.6090 1971.7715 108.4247 1.3813 -1084.7280 0.0000 0.0000 2746.0807 6203.2373 303.3123 3457.1566 6235.8060 299.1978 LDB: ============= START OF LOAD BALANCING ============== 5793.51 LDB: ============== END OF LOAD BALANCING =============== 5793.51 LDB: =============== DONE WITH MIGRATION ================ 5793.51 LDB: ============= START OF LOAD BALANCING ============== 5793.9 LDB: ============== END OF LOAD BALANCING =============== 5793.9 LDB: =============== DONE WITH MIGRATION ================ 5793.9 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: 5791.59, 0.00391758/step Wall: 5791.59, 0.00391758/step, 1.15743 hours remaining, 114.164062 MB of memory in use. ENERGY: 1436400 651.5111 1842.3302 1976.9915 95.2174 3.3339 -1081.0001 0.0000 0.0000 2733.4451 6221.8290 301.9166 3488.3840 6256.6757 301.0885 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: 5792.38, 0.00391426/step Wall: 5792.38, 0.00391426/step, 1.15623 hours remaining, 114.164062 MB of memory in use. ENERGY: 1436600 652.5451 1888.8718 1962.6979 103.6302 2.1481 -1077.8253 0.0000 0.0000 2690.3700 6222.4377 297.1589 3532.0677 6257.6573 300.9260 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: 5793.16, 0.00391249/step Wall: 5793.16, 0.00391249/step, 1.15549 hours remaining, 114.164062 MB of memory in use. ENERGY: 1436800 658.3079 1846.6825 1957.8857 112.6238 2.3955 -1071.9108 0.0000 0.0000 2714.1296 6220.1141 299.7832 3505.9845 6254.9454 300.4153 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: 5793.94, 0.00391447/step Wall: 5793.94, 0.00391447/step, 1.15586 hours remaining, 114.164062 MB of memory in use. ENERGY: 1437000 646.1345 1875.3885 1959.2262 102.1367 1.5065 -1092.8931 0.0000 0.0000 2779.2110 6270.7102 306.9716 3491.4992 6302.9326 302.7839 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: 5794.73, 0.00391204/step Wall: 5794.73, 0.00391204/step, 1.15492 hours remaining, 114.164062 MB of memory in use. ENERGY: 1437200 634.8966 1838.4766 1955.4546 108.3444 2.5951 -1051.3942 0.0000 0.0000 2721.0065 6209.3795 300.5427 3488.3730 6244.9829 301.2911 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: 5795.51, 0.00391394/step Wall: 5795.51, 0.00391394/step, 1.15526 hours remaining, 114.164062 MB of memory in use. ENERGY: 1437400 623.1575 1893.1085 1948.2739 109.3403 3.1400 -1067.1041 0.0000 0.0000 2708.5287 6218.4447 299.1645 3509.9160 6251.6689 299.2552 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: 5796.29, 0.00391342/step Wall: 5796.29, 0.00391342/step, 1.15489 hours remaining, 114.164062 MB of memory in use. ENERGY: 1437600 627.4755 1919.9470 1972.2591 114.4376 3.1521 -1073.8020 0.0000 0.0000 2667.3276 6230.7967 294.6138 3563.4691 6264.4381 300.1078 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: 5797.07, 0.00391065/step Wall: 5797.07, 0.00391065/step, 1.15386 hours remaining, 114.164062 MB of memory in use. ENERGY: 1437800 674.5489 1878.1846 1966.6254 106.4504 1.1213 -1104.2970 0.0000 0.0000 2728.3172 6250.9507 301.3502 3522.6335 6284.6824 300.6244 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: 5797.86, 0.00391066/step Wall: 5797.86, 0.00391066/step, 1.15364 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1438000 615.9781 1880.6081 1951.6275 110.4415 1.2761 -1062.8137 0.0000 0.0000 2715.7792 6212.8968 299.9654 3497.1176 6246.4455 298.9101 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: 5798.64, 0.00391322/step Wall: 5798.64, 0.00391322/step, 1.15418 hours remaining, 114.164062 MB of memory in use. ENERGY: 1438200 659.3532 1830.4129 1950.7286 109.1722 0.2028 -1062.9528 0.0000 0.0000 2733.1280 6220.0449 301.8816 3486.9169 6255.6824 298.7631 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: 5799.42, 0.00391011/step Wall: 5799.42, 0.00391011/step, 1.15305 hours remaining, 114.164062 MB of memory in use. ENERGY: 1438400 667.9848 1812.2127 1986.3310 106.3034 0.5050 -1092.6388 0.0000 0.0000 2724.7013 6205.3994 300.9508 3480.6982 6236.9151 300.9387 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: 5800.2, 0.00391147/step Wall: 5800.2, 0.00391147/step, 1.15323 hours remaining, 114.164062 MB of memory in use. ENERGY: 1438600 660.2569 1913.8492 1952.8001 112.6204 1.4942 -1093.6149 0.0000 0.0000 2698.3703 6245.7761 298.0425 3547.4058 6278.4675 299.6556 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: 5800.98, 0.00390993/step Wall: 5800.98, 0.00390992/step, 1.15256 hours remaining, 114.164062 MB of memory in use. ENERGY: 1438800 638.8145 1829.1572 1975.9620 111.3046 1.2849 -1057.6476 0.0000 0.0000 2706.5881 6205.4638 298.9502 3498.8757 6238.5372 299.8902 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: 5801.77, 0.00390991/step Wall: 5801.77, 0.00390991/step, 1.15234 hours remaining, 114.164062 MB of memory in use. ENERGY: 1439000 683.8064 1812.4926 1961.5579 110.6278 2.2877 -1082.0308 0.0000 0.0000 2698.9550 6187.6965 298.1071 3488.7415 6219.2442 298.7514 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: 5802.55, 0.00390977/step Wall: 5802.55, 0.00390977/step, 1.15208 hours remaining, 114.164062 MB of memory in use. ENERGY: 1439200 685.8704 1781.6057 1986.0881 105.7138 0.6848 -1068.8083 0.0000 0.0000 2732.6998 6223.8544 301.8343 3491.1546 6259.9291 298.5319 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: 5803.33, 0.00391115/step Wall: 5803.33, 0.00391115/step, 1.15227 hours remaining, 114.164062 MB of memory in use. ENERGY: 1439400 650.3164 1886.7418 1908.8564 107.6548 3.6471 -1100.9350 0.0000 0.0000 2772.4699 6228.7514 306.2270 3456.2815 6266.8137 296.8398 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: 5804.11, 0.00391231/step Wall: 5804.11, 0.00391231/step, 1.15239 hours remaining, 114.164062 MB of memory in use. ENERGY: 1439600 694.1737 1836.4418 1951.5669 104.1070 2.8335 -1088.4435 0.0000 0.0000 2723.4093 6224.0886 300.8081 3500.6793 6258.8641 301.2693 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: 5804.9, 0.00391159/step Wall: 5804.9, 0.00391159/step, 1.15196 hours remaining, 114.164062 MB of memory in use. ENERGY: 1439800 664.8297 1863.4943 1991.7505 119.2697 2.1179 -1088.5377 0.0000 0.0000 2691.3956 6244.3199 297.2721 3552.9244 6274.8192 300.7913 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: 5805.68, 0.00391254/step Wall: 5805.68, 0.00391254/step, 1.15202 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1440000 650.5057 1871.9138 1969.6088 116.2554 2.7374 -1085.8478 0.0000 0.0000 2725.6470 6250.8203 301.0553 3525.1733 6289.4267 301.4769 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1440000 WRITING COORDINATES TO DCD FILE MD.1.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: 5807.88, 0.0110243/step Wall: 5807.88, 0.0110243/step, 3.24544 hours remaining, 114.164062 MB of memory in use. ENERGY: 1440200 641.5264 1828.2259 1951.0843 108.6395 3.3047 -1086.0677 0.0000 0.0000 2751.0789 6197.7919 303.8643 3446.7130 6233.2394 302.0325 LDB: ============= START OF LOAD BALANCING ============== 5810.58 LDB: ============== END OF LOAD BALANCING =============== 5810.58 LDB: =============== DONE WITH MIGRATION ================ 5810.58 LDB: ============= START OF LOAD BALANCING ============== 5810.98 LDB: ============== END OF LOAD BALANCING =============== 5810.98 LDB: =============== DONE WITH MIGRATION ================ 5810.98 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: 5808.67, 0.00392698/step Wall: 5808.67, 0.00392698/step, 1.15584 hours remaining, 114.164062 MB of memory in use. ENERGY: 1440400 659.1771 1805.5469 1967.0330 116.0681 2.1759 -1057.7040 0.0000 0.0000 2654.5979 6146.8948 293.2077 3492.2969 6179.9147 299.0407 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: 5809.45, 0.0039142/step Wall: 5809.45, 0.0039142/step, 1.15186 hours remaining, 114.164062 MB of memory in use. ENERGY: 1440600 646.2254 1849.6161 1965.2667 105.8743 1.6786 -1065.5773 0.0000 0.0000 2631.4017 6134.4855 290.6456 3503.0838 6166.5096 296.3762 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: 5810.23, 0.0039124/step Wall: 5810.23, 0.0039124/step, 1.15112 hours remaining, 114.164062 MB of memory in use. ENERGY: 1440800 661.7879 1834.6632 1970.2806 112.7518 2.5497 -1097.3382 0.0000 0.0000 2644.5646 6129.2596 292.0995 3484.6950 6158.0536 296.1567 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: 5811.02, 0.00391368/step Wall: 5811.02, 0.00391368/step, 1.15127 hours remaining, 114.164062 MB of memory in use. ENERGY: 1441000 642.5830 1824.0515 2005.2861 114.3080 3.2246 -1074.0661 0.0000 0.0000 2660.5634 6175.9505 293.8666 3515.3871 6205.3675 295.9085 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: 5811.8, 0.00390787/step Wall: 5811.8, 0.00390787/step, 1.14935 hours remaining, 114.164062 MB of memory in use. ENERGY: 1441200 683.2276 1873.1273 1947.2660 117.3453 2.7529 -1114.5244 0.0000 0.0000 2714.5355 6223.7302 299.8280 3509.1947 6251.9190 301.0030 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: 5812.58, 0.00391644/step Wall: 5812.58, 0.00391644/step, 1.15165 hours remaining, 114.164062 MB of memory in use. ENERGY: 1441400 652.8876 1931.1140 1959.9547 119.8076 2.3151 -1084.3366 0.0000 0.0000 2644.0364 6225.7788 292.0412 3581.7424 6253.9527 301.6509 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: 5813.36, 0.00391621/step Wall: 5813.36, 0.00391621/step, 1.15137 hours remaining, 114.164062 MB of memory in use. ENERGY: 1441600 630.5871 1861.2475 1927.8536 101.0074 2.9767 -1071.0574 0.0000 0.0000 2788.1841 6240.7990 307.9627 3452.6149 6276.8447 301.3867 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: 5814.15, 0.00391539/step Wall: 5814.15, 0.00391539/step, 1.15091 hours remaining, 114.164062 MB of memory in use. ENERGY: 1441800 723.3768 1806.5781 1976.3586 111.4984 2.3648 -1078.0218 0.0000 0.0000 2738.8026 6280.9573 302.5084 3542.1548 6316.0190 303.8679 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: 5814.93, 0.00391062/step Wall: 5814.93, 0.00391062/step, 1.14929 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1442000 670.2056 1829.6611 1988.6468 116.7519 2.1099 -1097.2432 0.0000 0.0000 2712.2141 6222.3462 299.5716 3510.1321 6254.4366 303.2796 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: 5815.71, 0.00391705/step Wall: 5815.71, 0.00391705/step, 1.15096 hours remaining, 114.164062 MB of memory in use. ENERGY: 1442200 613.5722 1834.5678 1943.1874 97.6449 1.3979 -1053.9440 0.0000 0.0000 2736.8454 6173.2716 302.2922 3436.4262 6205.9679 299.3975 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: 5816.5, 0.00391719/step Wall: 5816.5, 0.00391719/step, 1.15078 hours remaining, 114.164062 MB of memory in use. ENERGY: 1442400 667.6315 1823.1036 1952.5119 113.3109 1.2130 -1083.0367 0.0000 0.0000 2721.2092 6195.9434 300.5651 3474.7342 6227.2774 299.9798 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: 5817.28, 0.00391694/step Wall: 5817.28, 0.00391694/step, 1.15049 hours remaining, 114.164062 MB of memory in use. ENERGY: 1442600 629.9058 1819.9558 1994.2136 120.1863 0.7407 -1082.2807 0.0000 0.0000 2672.4148 6155.1363 295.1757 3482.7214 6187.9415 299.4673 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: 5818.06, 0.0039176/step Wall: 5818.06, 0.00391761/step, 1.15047 hours remaining, 114.164062 MB of memory in use. ENERGY: 1442800 676.1947 1855.6303 1953.0615 107.5342 1.7629 -1066.7099 0.0000 0.0000 2623.0693 6150.5431 289.7253 3527.4737 6177.2981 297.6059 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: 5818.85, 0.00391164/step Wall: 5818.85, 0.00391164/step, 1.1485 hours remaining, 114.164062 MB of memory in use. ENERGY: 1443000 650.9048 1832.2678 1928.2029 102.6728 2.1204 -1067.3431 0.0000 0.0000 2696.2862 6145.1119 297.8123 3448.8256 6177.4736 297.6914 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: 5819.63, 0.00391644/step Wall: 5819.63, 0.00391644/step, 1.14969 hours remaining, 114.164062 MB of memory in use. ENERGY: 1443200 623.2102 1817.5794 1977.9824 94.6383 2.9441 -1072.4473 0.0000 0.0000 2730.1912 6174.0983 301.5572 3443.9071 6208.7949 297.6142 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: 5820.41, 0.00391673/step Wall: 5820.41, 0.00391673/step, 1.14956 hours remaining, 114.164062 MB of memory in use. ENERGY: 1443400 683.7805 1825.8867 1944.7617 101.8756 4.2406 -1079.0296 0.0000 0.0000 2721.0471 6202.5626 300.5472 3481.5156 6236.4648 298.3899 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: 5821.2, 0.00391472/step Wall: 5821.2, 0.00391472/step, 1.14875 hours remaining, 114.164062 MB of memory in use. ENERGY: 1443600 630.8994 1845.5225 1960.4914 102.1455 1.4887 -1080.0618 0.0000 0.0000 2711.7178 6172.2036 299.5168 3460.4858 6207.0213 299.0749 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: 5821.98, 0.00391436/step Wall: 5821.98, 0.00391436/step, 1.14843 hours remaining, 114.164062 MB of memory in use. ENERGY: 1443800 652.8718 1843.9727 1968.0424 121.0961 1.2227 -1111.9475 0.0000 0.0000 2708.4630 6183.7212 299.1573 3475.2582 6215.4684 299.8652 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: 5822.76, 0.00391027/step Wall: 5822.76, 0.00391027/step, 1.14701 hours remaining, 114.164062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1444000 640.6961 1882.2257 1978.5665 110.6726 1.7642 -1115.6326 0.0000 0.0000 2722.7447 6221.0371 300.7347 3498.2925 6254.9085 300.5504 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: 5823.54, 0.00391443/step Wall: 5823.54, 0.00391443/step, 1.14802 hours remaining, 114.164062 MB of memory in use. ENERGY: 1444200 684.7821 1867.4423 1963.2715 107.4434 2.6368 -1092.2318 0.0000 0.0000 2713.9868 6247.3312 299.7674 3533.3444 6280.4882 302.2944 LDB: ============= START OF LOAD BALANCING ============== 5826.24 LDB: ============== END OF LOAD BALANCING =============== 5826.24 LDB: =============== DONE WITH MIGRATION ================ 5826.24 LDB: ============= START OF LOAD BALANCING ============== 5826.64 LDB: ============== END OF LOAD BALANCING =============== 5826.64 LDB: =============== DONE WITH MIGRATION ================ 5826.64 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: 5824.33, 0.00391903/step Wall: 5824.33, 0.00391903/step, 1.14915 hours remaining, 114.164062 MB of memory in use. ENERGY: 1444400 651.8817 1889.1806 1971.0903 118.1052 0.7199 -1083.4871 0.0000 0.0000 2727.1637 6274.6543 301.2228 3547.4905 6305.5672 303.3244 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: 5825.11, 0.00391481/step Wall: 5825.11, 0.00391481/step, 1.14769 hours remaining, 114.164062 MB of memory in use. ENERGY: 1444600 682.6163 1859.3854 1970.7921 109.9038 1.3168 -1098.6694 0.0000 0.0000 2754.5998 6279.9447 304.2532 3525.3449 6314.2839 305.2083 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: 5825.89, 0.00390978/step Wall: 5825.89, 0.00390978/step, 1.146 hours remaining, 114.164062 MB of memory in use. ENERGY: 1444800 634.8525 1859.1732 1970.5001 101.3641 1.4873 -1060.0828 0.0000 0.0000 2736.0192 6243.3136 302.2009 3507.2944 6279.1396 303.7255 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: 5826.67, 0.00391603/step Wall: 5826.67, 0.00391602/step, 1.14761 hours remaining, 114.171875 MB of memory in use. ENERGY: 1445000 660.6948 1833.4642 1937.2471 110.6684 2.4374 -1031.9212 0.0000 0.0000 2764.5037 6277.0945 305.3471 3512.5907 6312.1313 302.4171 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: 5827.46, 0.00391714/step Wall: 5827.46, 0.00391715/step, 1.14772 hours remaining, 114.171875 MB of memory in use. ENERGY: 1445200 631.9366 1864.8042 1955.5369 110.6832 2.0312 -1055.1360 0.0000 0.0000 2762.2866 6272.1428 305.1023 3509.8561 6306.3456 303.1498 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: 5828.24, 0.00392522/step Wall: 5828.24, 0.00392522/step, 1.14987 hours remaining, 114.171875 MB of memory in use. ENERGY: 1445400 663.2196 1871.1244 1967.1908 114.2068 -0.0001 -1068.5156 0.0000 0.0000 2711.8814 6259.1073 299.5349 3547.2259 6293.8174 303.3609 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: 5829.03, 0.00391823/step Wall: 5829.03, 0.00391823/step, 1.14761 hours remaining, 114.171875 MB of memory in use. ENERGY: 1445600 652.4625 1901.7589 1944.7382 102.3639 1.7826 -1073.7198 0.0000 0.0000 2741.7188 6271.1050 302.8305 3529.3862 6304.4510 303.5219 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: 5829.81, 0.00391069/step Wall: 5829.81, 0.00391069/step, 1.14518 hours remaining, 114.171875 MB of memory in use. ENERGY: 1445800 647.1223 1827.8997 1976.2624 112.1270 0.6899 -1050.0846 0.0000 0.0000 2729.9688 6243.9853 301.5327 3514.0165 6276.6277 303.3963 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: 5830.59, 0.00391444/step Wall: 5830.59, 0.00391444/step, 1.14606 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: 1446000 675.8848 1815.5220 1966.6075 97.6442 0.7486 -1057.7326 0.0000 0.0000 2725.9156 6224.5901 301.0850 3498.6745 6256.0957 301.0417 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: 5831.37, 0.00391493/step Wall: 5831.37, 0.00391493/step, 1.14599 hours remaining, 114.171875 MB of memory in use. ENERGY: 1446200 687.0561 1818.4403 1964.4666 115.4292 1.0539 -1036.4925 0.0000 0.0000 2689.6576 6239.6111 297.0802 3549.9535 6272.3140 300.8978 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: 5832.16, 0.00391381/step Wall: 5832.16, 0.00391381/step, 1.14544 hours remaining, 114.171875 MB of memory in use. ENERGY: 1446400 637.5684 1830.9335 1981.6041 101.3116 2.2249 -1078.2350 0.0000 0.0000 2719.4966 6194.9041 300.3760 3475.4075 6228.9905 300.8606 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: 5832.94, 0.00390771/step Wall: 5832.94, 0.00390771/step, 1.14344 hours remaining, 114.171875 MB of memory in use. ENERGY: 1446600 642.9121 1858.8576 1951.8583 122.5079 1.6486 -1079.5285 0.0000 0.0000 2717.8371 6216.0930 300.1927 3498.2559 6247.0578 300.1512 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: 5833.72, 0.00391441/step Wall: 5833.72, 0.00391441/step, 1.14518 hours remaining, 114.171875 MB of memory in use. ENERGY: 1446800 644.0769 1873.2472 1959.8654 109.5086 2.2011 -1088.6132 0.0000 0.0000 2717.5127 6217.7988 300.1569 3500.2861 6251.5551 300.8361 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: 5834.51, 0.0039148/step Wall: 5834.51, 0.0039148/step, 1.14508 hours remaining, 114.171875 MB of memory in use. ENERGY: 1447000 654.3118 1833.8131 1981.9095 109.5819 0.9884 -1092.5261 0.0000 0.0000 2728.6188 6216.6974 301.3836 3488.0786 6250.6425 299.2819 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: 5835.29, 0.00391544/step Wall: 5835.29, 0.00391544/step, 1.14505 hours remaining, 114.171875 MB of memory in use. ENERGY: 1447200 674.0125 1876.0076 1951.9519 107.0162 1.4705 -1066.3321 0.0000 0.0000 2676.7792 6220.9060 295.6577 3544.1267 6250.6004 301.2623 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: 5836.07, 0.00391843/step Wall: 5836.07, 0.00391843/step, 1.14571 hours remaining, 114.171875 MB of memory in use. ENERGY: 1447400 656.3389 1878.7769 1965.8075 104.2701 1.3186 -1076.0430 0.0000 0.0000 2741.1127 6271.5818 302.7635 3530.4691 6305.1857 301.2963 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: 5836.86, 0.00391595/step Wall: 5836.86, 0.00391595/step, 1.14476 hours remaining, 114.171875 MB of memory in use. ENERGY: 1447600 630.1821 1824.5178 1970.0307 122.7720 1.5531 -1031.1649 0.0000 0.0000 2777.4951 6295.3859 306.7821 3517.8908 6331.5212 304.4678 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: 5837.64, 0.00392312/step Wall: 5837.64, 0.00392312/step, 1.14664 hours remaining, 114.171875 MB of memory in use. ENERGY: 1447800 636.2581 1856.9305 1948.2364 108.4398 0.8821 -1009.7887 0.0000 0.0000 2756.8654 6297.8236 304.5035 3540.9582 6332.3561 303.9871 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: 5838.43, 0.00393807/step Wall: 5838.43, 0.00393807/step, 1.15079 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: 1448000 659.9464 1888.2382 1971.1187 116.3204 0.9303 -1077.0835 0.0000 0.0000 2717.3344 6276.8048 300.1372 3559.4704 6310.1544 303.5060 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: 5839.21, 0.00392006/step Wall: 5839.21, 0.00392006/step, 1.14531 hours remaining, 114.171875 MB of memory in use. ENERGY: 1448200 662.4168 1854.0908 1956.6389 120.4169 1.9322 -1079.4146 0.0000 0.0000 2776.3766 6292.4577 306.6585 3516.0810 6329.2363 303.5643 LDB: ============= START OF LOAD BALANCING ============== 5841.91 LDB: ============== END OF LOAD BALANCING =============== 5841.91 LDB: =============== DONE WITH MIGRATION ================ 5841.91 LDB: ============= START OF LOAD BALANCING ============== 5842.3 LDB: ============== END OF LOAD BALANCING =============== 5842.3 LDB: =============== DONE WITH MIGRATION ================ 5842.3 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: 5840, 0.00392069/step Wall: 5840, 0.00392069/step, 1.14528 hours remaining, 114.171875 MB of memory in use. ENERGY: 1448400 677.8217 1825.5287 1950.2807 95.0223 2.4517 -1055.2523 0.0000 0.0000 2755.0016 6250.8545 304.2976 3495.8529 6286.4550 304.0332 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: 5840.78, 0.00392164/step Wall: 5840.78, 0.00392163/step, 1.14533 hours remaining, 114.171875 MB of memory in use. ENERGY: 1448600 668.4063 1828.1458 1931.1953 105.1673 2.1991 -1040.1079 0.0000 0.0000 2735.4616 6230.4676 302.1394 3495.0059 6266.2846 302.1067 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: 5841.56, 0.00392183/step Wall: 5841.56, 0.00392183/step, 1.14518 hours remaining, 114.171875 MB of memory in use. ENERGY: 1448800 684.2468 1854.2442 1976.0883 109.5094 2.6191 -1095.3897 0.0000 0.0000 2728.8279 6260.1460 301.4066 3531.3181 6296.1957 302.7195 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: 5842.35, 0.00392409/step Wall: 5842.35, 0.00392409/step, 1.14562 hours remaining, 114.171875 MB of memory in use. ENERGY: 1449000 662.8496 1824.2767 1969.1821 108.1469 1.9480 -1084.5477 0.0000 0.0000 2721.9063 6203.7619 300.6421 3481.8557 6239.5744 301.7395 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: 5843.13, 0.00392131/step Wall: 5843.13, 0.00392131/step, 1.14459 hours remaining, 114.171875 MB of memory in use. ENERGY: 1449200 659.2327 1854.8213 1975.5981 107.2311 2.2706 -1110.4283 0.0000 0.0000 2619.0364 6107.7620 289.2799 3488.7256 6139.5280 297.6824 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: 5843.92, 0.00391477/step Wall: 5843.92, 0.00391477/step, 1.14246 hours remaining, 114.171875 MB of memory in use. ENERGY: 1449400 661.9828 1821.9376 1919.2178 110.3889 0.2442 -1097.9921 0.0000 0.0000 2712.6376 6128.4168 299.6184 3415.7793 6164.5241 294.7706 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: 5844.7, 0.00391961/step Wall: 5844.7, 0.00391961/step, 1.14366 hours remaining, 114.171875 MB of memory in use. ENERGY: 1449600 686.9142 1809.9689 1938.1281 106.5792 0.5498 -1068.7398 0.0000 0.0000 2710.0750 6183.4753 299.3353 3473.4003 6216.9543 298.1157 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: 5845.48, 0.00391923/step Wall: 5845.48, 0.00391923/step, 1.14333 hours remaining, 114.171875 MB of memory in use. ENERGY: 1449800 642.1308 1786.3081 1969.7750 101.7451 1.3468 -1043.1965 0.0000 0.0000 2678.2763 6136.3857 295.8231 3458.1094 6170.9819 296.8996 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: 5846.27, 0.00392264/step Wall: 5846.27, 0.00392264/step, 1.1441 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: 1450000 651.6130 1887.3130 1953.3010 109.6208 1.1399 -1072.1379 0.0000 0.0000 2639.7375 6170.5874 291.5664 3530.8499 6200.8269 296.5413 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1450000 WRITING COORDINATES TO DCD FILE MD.1.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: 5847.1, 0.00417424/step Wall: 5847.1, 0.00417424/step, 1.21725 hours remaining, 114.171875 MB of memory in use. ENERGY: 1450200 612.6870 1850.6150 1965.9985 109.6565 2.0086 -1092.4421 0.0000 0.0000 2728.3851 6176.9086 301.3577 3448.5235 6209.1427 298.8625 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: 5847.89, 0.0039178/step Wall: 5847.89, 0.0039178/step, 1.14226 hours remaining, 114.171875 MB of memory in use. ENERGY: 1450400 643.2361 1824.3872 1980.2027 92.9871 1.0650 -1090.6059 0.0000 0.0000 2701.2507 6152.5229 298.3607 3451.2721 6184.9033 296.4891 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: 5848.67, 0.00392435/step Wall: 5848.67, 0.00392435/step, 1.14395 hours remaining, 114.171875 MB of memory in use. ENERGY: 1450600 649.1738 1841.1211 1940.5773 110.5007 2.1011 -1068.9904 0.0000 0.0000 2728.6300 6203.1134 301.3848 3474.4834 6231.9390 298.0949 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: 5849.46, 0.00392299/step Wall: 5849.46, 0.00392299/step, 1.14333 hours remaining, 114.171875 MB of memory in use. ENERGY: 1450800 643.4448 1840.1074 1961.3656 104.1414 0.8706 -1067.8108 0.0000 0.0000 2738.7500 6220.8690 302.5026 3482.1190 6249.9752 299.5156 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: 5850.24, 0.00392238/step Wall: 5850.24, 0.00392238/step, 1.14294 hours remaining, 114.171875 MB of memory in use. ENERGY: 1451000 680.8054 1776.9771 1951.3568 109.4551 1.9020 -1073.7128 0.0000 0.0000 2772.4690 6219.2526 306.2269 3446.7836 6255.7945 302.2565 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: 5851.03, 0.00392179/step Wall: 5851.03, 0.00392179/step, 1.14255 hours remaining, 114.171875 MB of memory in use. ENERGY: 1451200 638.8572 1828.7532 1966.1892 127.2316 2.7910 -1098.0999 0.0000 0.0000 2771.3266 6237.0489 306.1007 3465.7223 6270.9921 301.4227 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: 5851.81, 0.00391892/step Wall: 5851.81, 0.00391892/step, 1.1415 hours remaining, 114.171875 MB of memory in use. ENERGY: 1451400 654.9681 1875.4020 1956.4101 114.1455 -0.2122 -1077.7508 0.0000 0.0000 2720.6554 6243.6182 300.5040 3522.9627 6277.7218 301.6562 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: 5852.59, 0.003922/step Wall: 5852.59, 0.003922/step, 1.14217 hours remaining, 114.171875 MB of memory in use. ENERGY: 1451600 687.3173 1816.7342 1945.9685 94.5202 0.2063 -1080.1628 0.0000 0.0000 2741.3981 6205.9818 302.7951 3464.5837 6241.8697 301.1010 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: 5853.38, 0.00392161/step Wall: 5853.38, 0.00392161/step, 1.14184 hours remaining, 114.171875 MB of memory in use. ENERGY: 1451800 682.6489 1886.5722 1948.2132 98.0215 0.2093 -1095.9857 0.0000 0.0000 2635.4309 6155.1104 291.0907 3519.6795 6187.7248 299.0308 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: 5854.16, 0.00391994/step Wall: 5854.16, 0.00391994/step, 1.14114 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: 1452000 662.5999 1895.8898 1930.1065 101.4188 1.5589 -1111.1272 0.0000 0.0000 2697.3392 6177.7858 297.9286 3480.4466 6206.4125 298.2871 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: 5854.94, 0.00391416/step Wall: 5854.94, 0.00391416/step, 1.13924 hours remaining, 114.171875 MB of memory in use. ENERGY: 1452200 668.8078 1838.8034 1941.1207 131.5770 1.1590 -1103.5293 0.0000 0.0000 2688.4823 6166.4210 296.9504 3477.9387 6199.6223 298.1304 LDB: ============= START OF LOAD BALANCING ============== 5857.65 LDB: ============== END OF LOAD BALANCING =============== 5857.65 LDB: =============== DONE WITH MIGRATION ================ 5857.65 LDB: ============= START OF LOAD BALANCING ============== 5858.04 LDB: ============== END OF LOAD BALANCING =============== 5858.04 LDB: =============== DONE WITH MIGRATION ================ 5858.04 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: 5855.73, 0.00392452/step Wall: 5855.73, 0.00392452/step, 1.14203 hours remaining, 114.171875 MB of memory in use. ENERGY: 1452400 670.4684 1911.4537 1918.4229 97.9483 1.6313 -1090.2465 0.0000 0.0000 2654.4529 6164.1311 293.1917 3509.6782 6196.1987 297.1682 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: 5856.51, 0.00391894/step Wall: 5856.51, 0.00391894/step, 1.14019 hours remaining, 114.171875 MB of memory in use. ENERGY: 1452600 636.3137 1868.5012 1955.3453 104.0413 1.7676 -1081.0290 0.0000 0.0000 2664.5892 6149.5292 294.3113 3484.9400 6182.7906 297.6520 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: 5857.3, 0.00391773/step Wall: 5857.3, 0.00391773/step, 1.13963 hours remaining, 114.171875 MB of memory in use. ENERGY: 1452800 648.9470 1852.7672 1940.9109 121.1280 -0.1504 -1087.4228 0.0000 0.0000 2666.3634 6142.5432 294.5073 3476.1799 6174.7463 296.8460 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: 5858.08, 0.00392038/step Wall: 5858.08, 0.00392038/step, 1.14018 hours remaining, 114.171875 MB of memory in use. ENERGY: 1453000 648.4236 1830.5935 1955.1796 113.1525 1.4850 -1076.9248 0.0000 0.0000 2677.5509 6149.4603 295.7430 3471.9094 6181.0781 296.8099 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: 5858.86, 0.00391696/step Wall: 5858.86, 0.00391696/step, 1.13896 hours remaining, 114.171875 MB of memory in use. ENERGY: 1453200 676.3287 1835.6197 1952.2803 103.8139 1.2993 -1104.1957 0.0000 0.0000 2690.5576 6155.7038 297.1796 3465.1462 6188.8013 296.5406 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: 5859.65, 0.0039218/step Wall: 5859.65, 0.0039218/step, 1.14016 hours remaining, 114.171875 MB of memory in use. ENERGY: 1453400 657.7164 1882.7830 1970.7537 103.8103 -0.0184 -1060.0316 0.0000 0.0000 2673.4444 6228.4577 295.2894 3555.0133 6259.2995 298.6346 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: 5860.43, 0.00392195/step Wall: 5860.43, 0.00392195/step, 1.13998 hours remaining, 114.171875 MB of memory in use. ENERGY: 1453600 640.0009 1876.7501 1972.2205 111.6078 1.7380 -1093.6375 0.0000 0.0000 2763.6023 6272.2821 305.2476 3508.6798 6305.3705 301.0623 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: 5861.22, 0.00392142/step Wall: 5861.22, 0.00392142/step, 1.13961 hours remaining, 114.171875 MB of memory in use. ENERGY: 1453800 630.5929 1905.7320 1956.3747 101.6803 1.4571 -1085.9039 0.0000 0.0000 2721.8675 6231.8008 300.6379 3509.9333 6265.0092 302.1818 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: 5862, 0.00391496/step Wall: 5862, 0.00391496/step, 1.13751 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: 1454000 650.7576 1892.5337 1971.8311 108.3896 -0.1005 -1082.5319 0.0000 0.0000 2718.7507 6259.6304 300.2936 3540.8797 6296.7364 303.3493 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: 5862.78, 0.00392039/step Wall: 5862.78, 0.00392039/step, 1.13887 hours remaining, 114.171875 MB of memory in use. ENERGY: 1454200 649.6871 1814.0833 1961.5456 105.9726 -0.2015 -1065.9863 0.0000 0.0000 2752.6837 6217.7845 304.0416 3465.1008 6254.4620 301.0366 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: 5863.57, 0.00391754/step Wall: 5863.57, 0.00391753/step, 1.13783 hours remaining, 114.171875 MB of memory in use. ENERGY: 1454400 686.0038 1789.5894 1974.8774 102.5913 0.2817 -1090.0305 0.0000 0.0000 2748.5869 6211.9000 303.5891 3463.3131 6245.0569 301.5768 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: 5864.35, 0.0039191/step Wall: 5864.35, 0.00391911/step, 1.13806 hours remaining, 114.171875 MB of memory in use. ENERGY: 1454600 693.0627 1792.1956 1955.2963 120.0271 0.7206 -1080.9242 0.0000 0.0000 2715.9301 6196.3082 299.9820 3480.3781 6231.1678 300.1841 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: 5865.14, 0.00392035/step Wall: 5865.14, 0.00392035/step, 1.13821 hours remaining, 114.171875 MB of memory in use. ENERGY: 1454800 655.8577 1857.6637 1971.1036 110.8674 0.7953 -1069.6337 0.0000 0.0000 2650.9700 6177.6239 292.8070 3526.6540 6205.5553 299.6330 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: 5865.92, 0.00391286/step Wall: 5865.92, 0.00391286/step, 1.13581 hours remaining, 114.171875 MB of memory in use. ENERGY: 1455000 652.6491 1823.1698 1972.7557 106.6157 1.5857 -1094.0166 0.0000 0.0000 2763.4051 6226.1644 305.2258 3462.7593 6255.1427 299.1085 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: 5866.7, 0.00391925/step Wall: 5866.7, 0.00391925/step, 1.13745 hours remaining, 114.171875 MB of memory in use. ENERGY: 1455200 667.4427 1824.6413 1982.0448 106.4548 1.9505 -1099.1037 0.0000 0.0000 2757.2049 6240.6354 304.5410 3483.4305 6273.4221 301.8356 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: 5867.49, 0.00391995/step Wall: 5867.49, 0.00391995/step, 1.13744 hours remaining, 114.171875 MB of memory in use. ENERGY: 1455400 654.3655 1830.5704 1975.6474 98.2488 1.4683 -1072.5850 0.0000 0.0000 2739.6526 6227.3680 302.6023 3487.7154 6263.2768 301.8673 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: 5868.27, 0.00391958/step Wall: 5868.27, 0.00391958/step, 1.13712 hours remaining, 114.171875 MB of memory in use. ENERGY: 1455600 681.1720 1824.5239 1961.5178 100.2944 2.6656 -1096.1516 0.0000 0.0000 2749.1316 6223.1538 303.6492 3474.0221 6257.2197 300.2745 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: 5869.05, 0.00391856/step Wall: 5869.05, 0.00391856/step, 1.1366 hours remaining, 114.171875 MB of memory in use. ENERGY: 1455800 660.8334 1860.4289 1974.0304 107.8470 2.9572 -1106.4498 0.0000 0.0000 2739.9063 6239.5536 302.6303 3499.6473 6277.1473 301.0904 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: 5869.84, 0.00391683/step Wall: 5869.84, 0.00391683/step, 1.13588 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: 1456000 676.4823 1887.8239 1946.6420 115.3997 3.1333 -1093.6545 0.0000 0.0000 2696.6347 6232.4615 297.8508 3535.8268 6261.8692 300.9776 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: 5870.62, 0.00392054/step Wall: 5870.62, 0.00392054/step, 1.13674 hours remaining, 114.171875 MB of memory in use. ENERGY: 1456200 694.7799 1805.9954 2011.0004 117.6374 1.4296 -1075.2923 0.0000 0.0000 2725.9216 6281.4720 301.0856 3555.5504 6314.4658 301.0441 LDB: ============= START OF LOAD BALANCING ============== 5873.32 LDB: ============== END OF LOAD BALANCING =============== 5873.32 LDB: =============== DONE WITH MIGRATION ================ 5873.32 LDB: ============= START OF LOAD BALANCING ============== 5873.71 LDB: ============== END OF LOAD BALANCING =============== 5873.71 LDB: =============== DONE WITH MIGRATION ================ 5873.71 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: 5871.41, 0.0039233/step Wall: 5871.41, 0.0039233/step, 1.13732 hours remaining, 114.171875 MB of memory in use. ENERGY: 1456400 638.1269 1863.9934 2014.6506 112.5804 0.6182 -1059.1991 0.0000 0.0000 2775.0088 6345.7792 306.5075 3570.7704 6380.1311 305.2162 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: 5872.19, 0.00391829/step Wall: 5872.19, 0.00391828/step, 1.13565 hours remaining, 114.171875 MB of memory in use. ENERGY: 1456600 658.5595 1864.7316 1966.8130 97.1702 2.9391 -1077.5081 0.0000 0.0000 2782.4779 6295.1833 307.3324 3512.7054 6328.1687 306.0261 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: 5872.97, 0.00391312/step Wall: 5872.97, 0.00391313/step, 1.13394 hours remaining, 114.171875 MB of memory in use. ENERGY: 1456800 605.5106 1875.6778 1952.9443 113.9175 2.5462 -1082.6807 0.0000 0.0000 2774.6744 6242.5901 306.4705 3467.9156 6278.8347 305.1370 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: 5873.76, 0.00391936/step Wall: 5873.76, 0.00391936/step, 1.13553 hours remaining, 114.171875 MB of memory in use. ENERGY: 1457000 655.8794 1872.9067 1981.2025 108.2702 3.6356 -1056.0476 0.0000 0.0000 2638.1057 6203.9524 291.3861 3565.8468 6233.3623 300.6158 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: 5874.54, 0.00392004/step Wall: 5874.54, 0.00392004/step, 1.1355 hours remaining, 114.171875 MB of memory in use. ENERGY: 1457200 631.0083 1801.8015 1977.8539 102.8346 2.2463 -1024.3342 0.0000 0.0000 2678.6679 6170.0785 295.8663 3491.4105 6202.5086 297.0053 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: 5875.32, 0.00391951/step Wall: 5875.32, 0.00391951/step, 1.13513 hours remaining, 114.171875 MB of memory in use. ENERGY: 1457400 636.1349 1822.9248 1940.3109 104.1063 3.0378 -1061.4966 0.0000 0.0000 2705.1858 6150.2039 298.7953 3445.0182 6185.3095 296.8444 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: 5876.11, 0.00391818/step Wall: 5876.11, 0.00391818/step, 1.13453 hours remaining, 114.171875 MB of memory in use. ENERGY: 1457600 668.5466 1877.7754 1956.4145 97.6551 3.1808 -1077.6762 0.0000 0.0000 2664.5103 6190.4064 294.3026 3525.8961 6220.5712 298.0301 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: 5876.89, 0.00391434/step Wall: 5876.89, 0.00391434/step, 1.1332 hours remaining, 114.171875 MB of memory in use. ENERGY: 1457800 645.2090 1863.0393 1971.6450 105.1020 2.0968 -1055.1981 0.0000 0.0000 2686.6711 6218.5651 296.7503 3531.8940 6249.7652 298.7315 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: 5877.67, 0.00391903/step Wall: 5877.67, 0.00391903/step, 1.13434 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: 1458000 698.5470 1833.1690 1969.6862 107.8397 2.4078 -1124.6598 0.0000 0.0000 2668.9902 6155.9801 294.7974 3486.9898 6187.6339 298.8782 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: 5878.46, 0.00392541/step Wall: 5878.46, 0.00392541/step, 1.13597 hours remaining, 114.171875 MB of memory in use. ENERGY: 1458200 622.3231 1835.1152 1987.5421 101.5173 1.1985 -1073.2623 0.0000 0.0000 2718.7655 6193.1994 300.2952 3474.4338 6227.5409 297.9022 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: 5879.24, 0.00391605/step Wall: 5879.24, 0.00391605/step, 1.13304 hours remaining, 114.171875 MB of memory in use. ENERGY: 1458400 605.9816 1862.1294 1948.0942 105.5087 3.2075 -1064.4080 0.0000 0.0000 2743.7301 6204.2435 303.0526 3460.5134 6237.6710 298.9910 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: 5880.02, 0.00391164/step Wall: 5880.02, 0.00391163/step, 1.13155 hours remaining, 114.171875 MB of memory in use. ENERGY: 1458600 667.9256 1832.0521 1963.6862 109.0120 3.0243 -1037.6132 0.0000 0.0000 2714.6203 6252.7073 299.8374 3538.0870 6285.6809 300.2265 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: 5880.81, 0.00391851/step Wall: 5880.81, 0.00391852/step, 1.13332 hours remaining, 114.171875 MB of memory in use. ENERGY: 1458800 680.7646 1828.5370 1964.4208 114.8878 3.1170 -1066.9587 0.0000 0.0000 2762.5250 6287.2935 305.1286 3524.7684 6319.8093 301.3773 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: 5881.59, 0.00391718/step Wall: 5881.59, 0.00391718/step, 1.13272 hours remaining, 114.171875 MB of memory in use. ENERGY: 1459000 655.7136 1846.2769 1991.8766 116.2815 2.1990 -1034.1882 0.0000 0.0000 2718.9088 6297.0684 300.3111 3578.1596 6329.6615 303.4752 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: 5882.38, 0.00391876/step Wall: 5882.38, 0.00391875/step, 1.13295 hours remaining, 114.171875 MB of memory in use. ENERGY: 1459200 662.3792 1852.0618 1977.2785 93.0124 2.1353 -1091.9505 0.0000 0.0000 2762.9996 6257.9163 305.1810 3494.9167 6291.3303 302.3528 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: 5883.16, 0.00391785/step Wall: 5883.16, 0.00391786/step, 1.13248 hours remaining, 114.171875 MB of memory in use. ENERGY: 1459400 644.6897 1883.2398 1990.5590 104.0346 2.7169 -1076.5017 0.0000 0.0000 2736.6633 6285.4016 302.2721 3548.7383 6317.3314 303.3005 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: 5883.94, 0.00391138/step Wall: 5883.94, 0.00391137/step, 1.13039 hours remaining, 114.171875 MB of memory in use. ENERGY: 1459600 653.4779 1821.3152 1962.9567 101.0073 3.9028 -1059.7077 0.0000 0.0000 2684.7352 6167.6875 296.5365 3482.9523 6203.3702 299.6693 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: 5884.73, 0.00391843/step Wall: 5884.73, 0.00391843/step, 1.13221 hours remaining, 114.171875 MB of memory in use. ENERGY: 1459800 615.2710 1797.0714 1974.3822 116.3750 2.4423 -1038.4533 0.0000 0.0000 2649.0257 6116.1142 292.5923 3467.0885 6150.1097 294.9245 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: 5885.51, 0.00391896/step Wall: 5885.51, 0.00391896/step, 1.13214 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: 1460000 631.9362 1821.0358 1949.1628 108.6637 1.3075 -1031.1418 0.0000 0.0000 2642.3414 6123.3057 291.8540 3480.9642 6153.9305 293.6072 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1460000 WRITING COORDINATES TO DCD FILE MD.1.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: 5886.34, 0.00413891/step Wall: 5886.34, 0.00413891/step, 1.19546 hours remaining, 114.171875 MB of memory in use. ENERGY: 1460200 630.0446 1823.9970 1921.1100 108.8292 2.1358 -1029.9915 0.0000 0.0000 2639.0013 6095.1264 291.4850 3456.1252 6125.7981 294.2753 LDB: ============= START OF LOAD BALANCING ============== 5889.04 LDB: ============== END OF LOAD BALANCING =============== 5889.04 LDB: =============== DONE WITH MIGRATION ================ 5889.04 LDB: ============= START OF LOAD BALANCING ============== 5889.43 LDB: ============== END OF LOAD BALANCING =============== 5889.43 LDB: =============== DONE WITH MIGRATION ================ 5889.43 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: 5887.12, 0.00392281/step Wall: 5887.12, 0.00392281/step, 1.13282 hours remaining, 114.171875 MB of memory in use. ENERGY: 1460400 631.7896 1846.1754 1968.5909 96.5035 2.6441 -1062.7510 0.0000 0.0000 2646.9552 6129.9077 292.3636 3482.9525 6162.0759 294.7509 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: 5887.9, 0.00391113/step Wall: 5887.9, 0.00391113/step, 1.12923 hours remaining, 114.171875 MB of memory in use. ENERGY: 1460600 654.7126 1880.9254 1952.5800 108.5016 3.6302 -1095.9338 0.0000 0.0000 2651.0551 6155.4711 292.8164 3504.4160 6187.0963 295.0726 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: 5888.69, 0.00393396/step Wall: 5888.69, 0.00393396/step, 1.1356 hours remaining, 114.171875 MB of memory in use. ENERGY: 1460800 664.6770 1850.1050 1973.6427 106.1495 3.0738 -1087.8057 0.0000 0.0000 2681.0936 6190.9359 296.1343 3509.8423 6219.4800 298.5139 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: 5889.47, 0.00392118/step Wall: 5889.47, 0.00392117/step, 1.13169 hours remaining, 114.171875 MB of memory in use. ENERGY: 1461000 640.5246 1885.2045 1957.3884 104.8619 3.3141 -1077.5625 0.0000 0.0000 2701.7779 6215.5088 298.4189 3513.7310 6248.2514 299.3097 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: 5890.26, 0.00391657/step Wall: 5890.26, 0.00391658/step, 1.13015 hours remaining, 114.171875 MB of memory in use. ENERGY: 1461200 648.2978 1915.0787 1970.3303 96.7891 2.6949 -1094.9925 0.0000 0.0000 2716.0146 6254.2130 299.9914 3538.1984 6285.0733 301.3680 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: 5891.04, 0.00391186/step Wall: 5891.04, 0.00391186/step, 1.12857 hours remaining, 114.171875 MB of memory in use. ENERGY: 1461400 662.4348 1849.6138 1997.4997 97.2155 2.8937 -1087.3955 0.0000 0.0000 2680.3859 6202.6479 296.0561 3522.2620 6238.5868 300.4016 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: 5891.82, 0.00391798/step Wall: 5891.82, 0.00391798/step, 1.13012 hours remaining, 114.171875 MB of memory in use. ENERGY: 1461600 601.1615 1819.7748 1987.9619 105.6490 1.7082 -1058.6745 0.0000 0.0000 2686.2916 6143.8726 296.7084 3457.5810 6177.8415 296.6972 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: 5892.61, 0.00391909/step Wall: 5892.61, 0.00391909/step, 1.13022 hours remaining, 114.171875 MB of memory in use. ENERGY: 1461800 693.9881 1861.9666 1955.2068 124.3378 3.2774 -1128.1118 0.0000 0.0000 2629.5048 6140.1698 290.4361 3510.6650 6169.3141 295.7252 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: 5893.39, 0.00392047/step Wall: 5893.39, 0.00392047/step, 1.1304 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: 1462000 646.8636 1841.1925 1960.2990 106.7891 2.4783 -1095.1172 0.0000 0.0000 2702.3281 6164.8333 298.4797 3462.5052 6196.1661 298.4119 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: 5894.18, 0.00391988/step Wall: 5894.18, 0.00391988/step, 1.13002 hours remaining, 114.175781 MB of memory in use. ENERGY: 1462200 617.8005 1827.6495 1959.4901 113.3306 2.5365 -1090.2537 0.0000 0.0000 2675.5386 6106.0920 295.5207 3430.5534 6139.2681 296.1442 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: 5894.96, 0.00391309/step Wall: 5894.96, 0.00391309/step, 1.12784 hours remaining, 114.175781 MB of memory in use. ENERGY: 1462400 626.1755 1826.2705 1959.6739 113.8437 1.2369 -1097.2221 0.0000 0.0000 2610.8453 6040.8237 288.3751 3429.9784 6072.3492 292.7836 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: 5895.74, 0.00391947/step Wall: 5895.74, 0.00391947/step, 1.12946 hours remaining, 114.175781 MB of memory in use. ENERGY: 1462600 659.9601 1814.6695 1959.7672 96.6342 2.2868 -1135.9853 0.0000 0.0000 2660.2177 6057.5502 293.8285 3397.3325 6088.8629 292.0483 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: 5896.53, 0.0039209/step Wall: 5896.53, 0.0039209/step, 1.12965 hours remaining, 114.175781 MB of memory in use. ENERGY: 1462800 644.8831 1860.0225 1969.2468 115.9012 2.0268 -1124.0397 0.0000 0.0000 2712.4036 6180.4443 299.5925 3468.0407 6213.5782 295.1495 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: 5897.31, 0.00391883/step Wall: 5897.31, 0.00391883/step, 1.12884 hours remaining, 114.175781 MB of memory in use. ENERGY: 1463000 655.4389 1817.9367 1940.2549 108.1367 4.2726 -1071.1506 0.0000 0.0000 2751.6748 6206.5641 303.9301 3454.8893 6238.8044 299.4435 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: 5898.09, 0.00391193/step Wall: 5898.09, 0.00391193/step, 1.12664 hours remaining, 114.175781 MB of memory in use. ENERGY: 1463200 636.9518 1880.4150 1962.0635 95.7215 3.0345 -1101.2543 0.0000 0.0000 2635.0606 6111.9926 291.0498 3476.9320 6145.6762 298.2843 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: 5898.88, 0.00392088/step Wall: 5898.88, 0.00392088/step, 1.129 hours remaining, 114.175781 MB of memory in use. ENERGY: 1463400 636.6073 1856.2898 1970.4601 111.3126 1.3863 -1082.1760 0.0000 0.0000 2657.7910 6151.6711 293.5604 3493.8801 6182.0906 295.6053 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: 5899.66, 0.00392031/step Wall: 5899.66, 0.00392031/step, 1.12861 hours remaining, 114.179688 MB of memory in use. ENERGY: 1463600 684.2647 1810.6887 1955.1654 107.2668 3.6842 -1117.8644 0.0000 0.0000 2662.2060 6105.4115 294.0481 3443.2055 6136.3419 296.5621 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: 5900.44, 0.00391955/step Wall: 5900.44, 0.00391955/step, 1.12818 hours remaining, 114.179688 MB of memory in use. ENERGY: 1463800 645.1940 1838.4018 1967.1181 104.2387 4.0207 -1094.9039 0.0000 0.0000 2681.4197 6145.4892 296.1703 3464.0695 6178.9540 296.2766 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: 5901.23, 0.00391953/step Wall: 5901.23, 0.00391953/step, 1.12795 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: 1464000 639.0980 1827.7794 1955.0995 116.6219 3.3826 -1076.2688 0.0000 0.0000 2690.2345 6155.9470 297.1439 3465.7126 6187.9017 298.0421 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: 5902.01, 0.0039133/step Wall: 5902.01, 0.0039133/step, 1.12594 hours remaining, 114.179688 MB of memory in use. ENERGY: 1464200 655.3114 1835.2506 1990.9419 106.9056 1.9893 -1081.9251 0.0000 0.0000 2680.0976 6188.5713 296.0242 3508.4737 6221.0040 297.3051 LDB: ============= START OF LOAD BALANCING ============== 5904.71 LDB: ============== END OF LOAD BALANCING =============== 5904.71 LDB: =============== DONE WITH MIGRATION ================ 5904.71 LDB: ============= START OF LOAD BALANCING ============== 5905.11 LDB: ============== END OF LOAD BALANCING =============== 5905.11 LDB: =============== DONE WITH MIGRATION ================ 5905.11 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: 5902.8, 0.00392576/step Wall: 5902.8, 0.00392576/step, 1.12931 hours remaining, 114.179688 MB of memory in use. ENERGY: 1464400 633.5019 1892.3891 1952.4600 110.0884 2.2461 -1088.2320 0.0000 0.0000 2711.4848 6213.9383 299.4910 3502.4535 6247.4181 300.4784 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: 5903.58, 0.00391807/step Wall: 5903.58, 0.00391807/step, 1.12688 hours remaining, 114.179688 MB of memory in use. ENERGY: 1464600 675.5904 1841.3257 1964.7228 110.1552 2.9173 -1098.7614 0.0000 0.0000 2663.2681 6159.2180 294.1654 3495.9499 6189.8770 298.2180 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: 5904.36, 0.00391862/step Wall: 5904.36, 0.00391862/step, 1.12682 hours remaining, 114.179688 MB of memory in use. ENERGY: 1464800 650.0808 1820.7488 1964.6181 106.6269 1.7338 -1049.4057 0.0000 0.0000 2697.0546 6191.4573 297.8972 3494.4027 6221.1996 298.4099 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: 5905.15, 0.0039184/step Wall: 5905.15, 0.0039184/step, 1.12654 hours remaining, 114.179688 MB of memory in use. ENERGY: 1465000 610.8085 1845.8576 1968.0889 108.1028 2.7150 -1067.0663 0.0000 0.0000 2682.7446 6151.2511 296.3166 3468.5066 6186.6796 298.0248 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: 5905.93, 0.00391268/step Wall: 5905.93, 0.00391268/step, 1.12468 hours remaining, 114.179688 MB of memory in use. ENERGY: 1465200 660.4924 1789.5423 1970.3917 105.7361 2.4975 -1057.1441 0.0000 0.0000 2710.2700 6181.7859 299.3569 3471.5159 6216.6853 297.1450 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: 5906.71, 0.00391969/step Wall: 5906.71, 0.00391969/step, 1.12648 hours remaining, 114.179688 MB of memory in use. ENERGY: 1465400 637.1051 1884.7509 1971.1211 98.7792 2.3395 -1088.7060 0.0000 0.0000 2667.1565 6172.5463 294.5949 3505.3899 6204.6057 299.1131 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: 5907.5, 0.00392014/step Wall: 5907.5, 0.00392014/step, 1.12639 hours remaining, 114.179688 MB of memory in use. ENERGY: 1465600 656.0783 1861.0506 1947.8404 94.6559 2.1898 -1069.8813 0.0000 0.0000 2700.6191 6192.5528 298.2909 3491.9337 6226.2150 298.6092 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: 5908.28, 0.00391987/step Wall: 5908.28, 0.00391987/step, 1.12609 hours remaining, 114.179688 MB of memory in use. ENERGY: 1465800 657.6607 1858.4972 1935.4514 101.3919 3.4036 -1075.4760 0.0000 0.0000 2678.8046 6159.7333 295.8814 3480.9287 6192.5616 299.0834 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: 5909.06, 0.0039142/step Wall: 5909.06, 0.00391419/step, 1.12424 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: 1466000 666.8936 1843.4011 1941.2721 120.3629 2.4781 -1052.4705 0.0000 0.0000 2657.0106 6178.9479 293.4742 3521.9374 6209.3206 297.6027 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: 5909.85, 0.00391873/step Wall: 5909.85, 0.00391873/step, 1.12533 hours remaining, 114.179688 MB of memory in use. ENERGY: 1466200 647.8310 1819.0479 1943.0558 113.7710 2.4340 -1047.8338 0.0000 0.0000 2680.2632 6158.5691 296.0425 3478.3058 6190.2745 297.6148 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: 5910.63, 0.00391866/step Wall: 5910.63, 0.00391866/step, 1.12509 hours remaining, 114.179688 MB of memory in use. ENERGY: 1466400 643.7479 1825.5621 1947.1472 110.7309 3.0808 -1054.9229 0.0000 0.0000 2678.2573 6153.6033 295.8210 3475.3460 6189.0629 297.9392 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: 5911.42, 0.00391739/step Wall: 5911.42, 0.00391739/step, 1.12451 hours remaining, 114.179688 MB of memory in use. ENERGY: 1466600 626.5478 1851.8813 1945.4134 102.9681 3.9043 -1053.0177 0.0000 0.0000 2728.1919 6205.8890 301.3364 3477.6972 6238.5012 298.8661 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: 5912.2, 0.00391609/step Wall: 5912.2, 0.00391609/step, 1.12392 hours remaining, 114.179688 MB of memory in use. ENERGY: 1466800 663.8656 1865.1748 1963.6879 111.6657 2.3118 -1086.8710 0.0000 0.0000 2683.8795 6203.7143 296.4420 3519.8348 6237.7610 300.0012 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: 5912.98, 0.00391281/step Wall: 5912.98, 0.00391281/step, 1.12276 hours remaining, 114.179688 MB of memory in use. ENERGY: 1467000 665.5316 1856.6480 1973.8400 98.7281 2.6501 -1050.0890 0.0000 0.0000 2638.7516 6186.0604 291.4575 3547.3088 6216.3471 299.3245 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: 5913.77, 0.00391734/step Wall: 5913.77, 0.00391734/step, 1.12384 hours remaining, 114.179688 MB of memory in use. ENERGY: 1467200 621.6315 1840.0882 1969.7104 113.0975 2.4623 -1103.0890 0.0000 0.0000 2715.0602 6158.9611 299.8860 3443.9009 6194.0304 298.0653 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: 5914.55, 0.00391854/step Wall: 5914.55, 0.00391854/step, 1.12397 hours remaining, 114.179688 MB of memory in use. ENERGY: 1467400 649.8988 1856.8356 1970.3853 113.4849 0.9151 -1091.2115 0.0000 0.0000 2646.3600 6146.6682 292.2978 3500.3081 6179.2953 297.3237 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: 5915.33, 0.00391717/step Wall: 5915.33, 0.00391717/step, 1.12336 hours remaining, 114.179688 MB of memory in use. ENERGY: 1467600 660.6533 1826.0358 1954.4817 119.0464 1.7631 -1068.0338 0.0000 0.0000 2690.6417 6184.5883 297.1889 3493.9466 6215.4774 296.7763 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: 5916.11, 0.00391341/step Wall: 5916.11, 0.0039134/step, 1.12206 hours remaining, 114.179688 MB of memory in use. ENERGY: 1467800 681.1985 1867.6997 1915.1881 102.3028 2.2682 -1112.5113 0.0000 0.0000 2720.6762 6176.8223 300.5063 3456.1461 6209.3651 298.0060 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: 5916.9, 0.00391951/step Wall: 5916.9, 0.00391952/step, 1.1236 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: 1468000 691.0525 1822.9451 1974.4813 119.4492 3.1116 -1037.0272 0.0000 0.0000 2627.2117 6201.2241 290.1829 3574.0124 6230.9162 300.1861 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: 5917.68, 0.00391914/step Wall: 5917.68, 0.00391914/step, 1.12327 hours remaining, 114.179688 MB of memory in use. ENERGY: 1468200 654.9184 1846.5342 1950.7836 108.9120 0.5146 -1053.3332 0.0000 0.0000 2690.9270 6199.2566 297.2204 3508.3296 6231.7202 299.2330 LDB: ============= START OF LOAD BALANCING ============== 5920.38 LDB: ============== END OF LOAD BALANCING =============== 5920.38 LDB: =============== DONE WITH MIGRATION ================ 5920.38 LDB: ============= START OF LOAD BALANCING ============== 5920.78 LDB: ============== END OF LOAD BALANCING =============== 5920.78 LDB: =============== DONE WITH MIGRATION ================ 5920.78 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: 5918.47, 0.00393005/step Wall: 5918.47, 0.00393005/step, 1.12618 hours remaining, 114.179688 MB of memory in use. ENERGY: 1468400 653.0614 1845.7085 1955.9129 98.9560 1.1794 -1084.3929 0.0000 0.0000 2753.8053 6224.2306 304.1655 3470.4253 6257.9381 300.9203 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: 5919.25, 0.00391992/step Wall: 5919.25, 0.00391992/step, 1.12306 hours remaining, 114.179688 MB of memory in use. ENERGY: 1468600 643.3195 1855.3090 1950.1817 113.0001 0.5099 -1065.1889 0.0000 0.0000 2717.8158 6214.9471 300.1903 3497.1313 6248.5300 300.2137 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: 5920.04, 0.00391309/step Wall: 5920.04, 0.00391309/step, 1.12088 hours remaining, 114.179688 MB of memory in use. ENERGY: 1468800 651.4601 1871.6591 1942.3810 109.0749 1.3453 -1065.1135 0.0000 0.0000 2664.9462 6175.7531 294.3507 3510.8069 6209.1767 299.0650 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: 5920.82, 0.00392054/step Wall: 5920.82, 0.00392054/step, 1.1228 hours remaining, 114.179688 MB of memory in use. ENERGY: 1469000 615.1635 1857.0175 1965.1666 108.9650 0.7228 -1085.4446 0.0000 0.0000 2770.3700 6231.9607 305.9951 3461.5907 6267.4509 298.9743 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: 5921.6, 0.00391929/step Wall: 5921.6, 0.00391929/step, 1.12222 hours remaining, 114.179688 MB of memory in use. ENERGY: 1469200 684.3635 1842.9787 1957.4419 100.3639 0.6848 -1076.9064 0.0000 0.0000 2736.5923 6245.5188 302.2642 3508.9265 6278.3587 301.5529 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: 5922.39, 0.00392071/step Wall: 5922.39, 0.00392071/step, 1.12241 hours remaining, 114.179688 MB of memory in use. ENERGY: 1469400 639.2637 1849.0543 1965.3737 112.8098 1.6155 -1069.6650 0.0000 0.0000 2775.7300 6274.1820 306.5871 3498.4520 6306.9310 302.7083 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: 5924.23, 0.00921203/step Wall: 5924.23, 0.00921202/step, 2.63669 hours remaining, 114.179688 MB of memory in use. ENERGY: 1469600 664.2882 1887.2607 1960.2721 112.2431 1.4853 -1116.6068 0.0000 0.0000 2704.2712 6213.2139 298.6943 3508.9427 6243.6367 301.6202 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: 5925.02, 0.00393518/step Wall: 5925.02, 0.00393518/step, 1.12612 hours remaining, 114.179688 MB of memory in use. ENERGY: 1469800 664.8143 1834.6007 1991.5696 108.1953 1.4378 -1091.1811 0.0000 0.0000 2751.0641 6260.5005 303.8627 3509.4364 6293.8432 302.2025 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: 5925.8, 0.0039186/step Wall: 5925.8, 0.0039186/step, 1.12116 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: 1470000 696.3976 1848.5770 1989.3235 117.8504 1.6988 -1107.0767 0.0000 0.0000 2711.9867 6258.7573 299.5465 3546.7706 6292.5906 302.6624 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1470000 WRITING COORDINATES TO DCD FILE MD.1.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: 5926.62, 0.00410224/step Wall: 5926.62, 0.00410224/step, 1.17347 hours remaining, 114.179688 MB of memory in use. ENERGY: 1470200 681.6069 1841.6513 1955.3437 102.4229 0.4440 -1097.8598 0.0000 0.0000 2725.9236 6209.5325 301.0859 3483.6090 6241.4292 300.9459 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: 5927.41, 0.00392074/step Wall: 5927.41, 0.00392074/step, 1.12133 hours remaining, 114.179688 MB of memory in use. ENERGY: 1470400 643.4423 1809.3539 1990.3602 100.1081 2.1226 -1062.2674 0.0000 0.0000 2682.8093 6165.9290 296.3238 3483.1198 6201.3921 298.0176 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: 5928.19, 0.00391909/step Wall: 5928.19, 0.00391909/step, 1.12064 hours remaining, 114.179688 MB of memory in use. ENERGY: 1470600 675.8255 1830.9148 1981.7658 112.3815 0.4998 -1105.3518 0.0000 0.0000 2716.7235 6212.7591 300.0697 3496.0356 6246.4157 298.2518 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: 5928.97, 0.00391304/step Wall: 5928.97, 0.00391304/step, 1.11869 hours remaining, 114.179688 MB of memory in use. ENERGY: 1470800 658.6722 1832.5027 1957.6963 97.2219 3.0192 -1082.2147 0.0000 0.0000 2705.6350 6172.5326 298.8449 3466.8976 6207.3353 298.4724 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: 5929.76, 0.00391906/step Wall: 5929.76, 0.00391906/step, 1.1202 hours remaining, 114.179688 MB of memory in use. ENERGY: 1471000 645.7773 1812.6931 1990.7385 116.5037 0.9313 -1065.5300 0.0000 0.0000 2636.8366 6137.9505 291.2459 3501.1139 6169.1401 297.7544 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: 5930.54, 0.00391866/step Wall: 5930.54, 0.00391866/step, 1.11987 hours remaining, 114.179688 MB of memory in use. ENERGY: 1471200 630.4377 1805.8269 1962.1694 104.9984 1.2407 -1081.1494 0.0000 0.0000 2686.0337 6109.5573 296.6799 3423.5236 6143.0698 295.5635 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: 5931.32, 0.00391905/step Wall: 5931.32, 0.00391905/step, 1.11976 hours remaining, 114.179688 MB of memory in use. ENERGY: 1471400 644.2921 1863.7512 1994.2684 115.3458 0.6715 -1079.4674 0.0000 0.0000 2612.0326 6150.8943 288.5063 3538.8617 6180.2116 294.2272 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: 5932.11, 0.00391167/step Wall: 5932.11, 0.00391167/step, 1.11743 hours remaining, 114.179688 MB of memory in use. ENERGY: 1471600 668.0465 1839.7859 1945.2272 106.4099 1.2390 -1087.9808 0.0000 0.0000 2698.4409 6171.1686 298.0503 3472.7278 6202.3122 296.2752 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: 5932.89, 0.00391996/step Wall: 5932.89, 0.00391996/step, 1.11958 hours remaining, 114.179688 MB of memory in use. ENERGY: 1471800 644.3202 1783.6052 1973.3590 108.5839 1.8721 -1074.9138 0.0000 0.0000 2691.3773 6128.2039 297.2701 3436.8267 6163.1473 295.6851 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: 5933.67, 0.00391927/step Wall: 5933.67, 0.00391927/step, 1.11917 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: 1472000 629.2227 1798.5275 2001.4993 106.2198 0.2909 -1057.7384 0.0000 0.0000 2665.1016 6143.1234 294.3679 3478.0218 6174.7365 295.4219 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: 5934.46, 0.00392132/step Wall: 5934.46, 0.00392132/step, 1.11954 hours remaining, 114.179688 MB of memory in use. ENERGY: 1472200 665.4168 1777.4050 1944.6398 117.8774 1.2155 -1064.5149 0.0000 0.0000 2680.9303 6122.9698 296.1162 3442.0396 6154.4088 293.1314 LDB: ============= START OF LOAD BALANCING ============== 5937.16 LDB: ============== END OF LOAD BALANCING =============== 5937.16 LDB: =============== DONE WITH MIGRATION ================ 5937.16 LDB: ============= START OF LOAD BALANCING ============== 5937.55 LDB: ============== END OF LOAD BALANCING =============== 5937.55 LDB: =============== DONE WITH MIGRATION ================ 5937.55 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: 5935.24, 0.00392601/step Wall: 5935.24, 0.00392601/step, 1.12066 hours remaining, 114.179688 MB of memory in use. ENERGY: 1472400 610.3906 1820.3821 1974.2791 93.9948 1.7558 -1037.1838 0.0000 0.0000 2646.9085 6110.5271 292.3584 3463.6186 6141.0186 294.2493 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: 5936.03, 0.00391323/step Wall: 5936.03, 0.00391323/step, 1.11679 hours remaining, 114.179688 MB of memory in use. ENERGY: 1472600 629.9416 1767.7537 1960.0157 103.4500 2.2492 -1062.5841 0.0000 0.0000 2724.6022 6125.4283 300.9399 3400.8261 6155.1416 294.5195 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: 5936.81, 0.0039213/step Wall: 5936.81, 0.0039213/step, 1.11888 hours remaining, 114.179688 MB of memory in use. ENERGY: 1472800 678.6562 1854.7539 1957.7517 110.7485 1.6707 -1092.8767 0.0000 0.0000 2639.8033 6150.5076 291.5736 3510.7043 6180.9762 295.0406 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: 5937.59, 0.00391891/step Wall: 5937.59, 0.00391891/step, 1.11798 hours remaining, 114.179688 MB of memory in use. ENERGY: 1473000 664.1878 1840.4229 1956.9705 112.2706 2.2955 -1073.9531 0.0000 0.0000 2688.1353 6190.3295 296.9120 3502.1942 6223.3952 296.8770 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: 5938.38, 0.00392177/step Wall: 5938.38, 0.00392177/step, 1.11858 hours remaining, 114.179688 MB of memory in use. ENERGY: 1473200 665.8910 1808.1434 1968.9193 108.1068 1.0338 -1054.2509 0.0000 0.0000 2708.8875 6206.7308 299.2042 3497.8433 6239.0186 298.2254 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: 5939.16, 0.00391365/step Wall: 5939.16, 0.00391365/step, 1.11604 hours remaining, 114.179688 MB of memory in use. ENERGY: 1473400 624.3591 1845.5711 1954.4422 98.6306 0.3159 -1059.4296 0.0000 0.0000 2736.0459 6199.9351 302.2039 3463.8892 6236.2874 299.4039 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: 5939.94, 0.00392036/step Wall: 5939.94, 0.00392036/step, 1.11774 hours remaining, 114.179688 MB of memory in use. ENERGY: 1473600 662.9392 1812.4907 1951.4642 101.0560 0.4198 -1091.1101 0.0000 0.0000 2732.8541 6170.1138 301.8513 3437.2598 6201.6301 297.8537 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: 5940.73, 0.00391984/step Wall: 5940.73, 0.00391984/step, 1.11737 hours remaining, 114.179688 MB of memory in use. ENERGY: 1473800 671.2789 1768.6332 1946.7137 127.8701 2.0264 -1064.7688 0.0000 0.0000 2679.0733 6130.8268 295.9111 3451.7535 6166.0058 297.1781 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: 5941.51, 0.00391854/step Wall: 5941.51, 0.00391854/step, 1.11678 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: 1474000 646.7549 1892.2107 1941.9757 110.4767 1.2923 -1036.5414 0.0000 0.0000 2669.2903 6225.4593 294.8305 3556.1690 6256.4127 298.8283 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: 5942.3, 0.00391765/step Wall: 5942.3, 0.00391765/step, 1.11631 hours remaining, 114.179688 MB of memory in use. ENERGY: 1474200 666.4379 1854.6315 1961.0810 101.2931 1.6816 -1100.3348 0.0000 0.0000 2718.8847 6203.6750 300.3084 3484.7903 6237.0925 300.0556 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: 5943.08, 0.00391382/step Wall: 5943.08, 0.00391382/step, 1.11501 hours remaining, 114.179688 MB of memory in use. ENERGY: 1474400 641.0921 1834.5852 1946.2856 110.7731 2.1009 -1099.8899 0.0000 0.0000 2738.6191 6173.5661 302.4881 3434.9470 6207.8744 300.0335 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: 5943.86, 0.00391915/step Wall: 5943.86, 0.00391915/step, 1.1163 hours remaining, 114.179688 MB of memory in use. ENERGY: 1474600 648.6591 1802.8586 1975.5314 115.9286 2.9384 -1072.0147 0.0000 0.0000 2690.7644 6164.6657 297.2024 3473.9013 6197.8792 297.7842 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: 5944.65, 0.00391758/step Wall: 5944.65, 0.00391758/step, 1.11564 hours remaining, 114.179688 MB of memory in use. ENERGY: 1474800 677.9087 1807.7709 1974.6403 112.6254 2.9919 -1121.3155 0.0000 0.0000 2743.5776 6198.1992 303.0358 3454.6216 6230.0058 299.5939 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: 5945.43, 0.00391778/step Wall: 5945.43, 0.00391778/step, 1.11548 hours remaining, 114.179688 MB of memory in use. ENERGY: 1475000 665.0820 1855.4057 1981.1672 113.6056 1.2197 -1083.5643 0.0000 0.0000 2714.0426 6246.9585 299.7736 3532.9159 6280.7357 301.4623 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: 5946.21, 0.00391723/step Wall: 5946.21, 0.00391723/step, 1.1151 hours remaining, 114.179688 MB of memory in use. ENERGY: 1475200 664.7844 1812.5253 1988.5091 120.4339 2.7692 -1088.0595 0.0000 0.0000 2776.2107 6277.1731 306.6402 3500.9624 6311.4052 301.6810 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: 5947, 0.00391366/step Wall: 5947, 0.00391366/step, 1.11387 hours remaining, 114.179688 MB of memory in use. ENERGY: 1475400 644.1909 1893.9190 1963.2353 99.8094 2.5524 -1102.6574 0.0000 0.0000 2727.6509 6228.7005 301.2766 3501.0496 6262.5372 303.3579 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: 5947.78, 0.00391712/step Wall: 5947.78, 0.00391712/step, 1.11464 hours remaining, 114.179688 MB of memory in use. ENERGY: 1475600 678.2753 1864.7326 1972.4599 106.9303 1.1209 -1029.2022 0.0000 0.0000 2669.0963 6263.4131 294.8091 3594.3168 6295.6985 301.3074 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: 5948.57, 0.00393991/step Wall: 5948.57, 0.00393991/step, 1.1209 hours remaining, 114.179688 MB of memory in use. ENERGY: 1475800 642.4651 1843.0214 1966.3818 112.9108 0.7836 -1050.8956 0.0000 0.0000 2722.8169 6237.4840 300.7427 3514.6671 6267.6973 300.8237 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: 5949.35, 0.00392376/step Wall: 5949.35, 0.00392376/step, 1.11609 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: 1476000 634.4207 1852.0828 1977.8907 106.8578 2.4445 -1021.0752 0.0000 0.0000 2687.0175 6239.6389 296.7886 3552.6214 6271.2926 300.7945 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: 5950.13, 0.00391416/step Wall: 5950.13, 0.00391416/step, 1.11314 hours remaining, 114.179688 MB of memory in use. ENERGY: 1476200 652.9426 1879.2030 1969.8888 103.4013 1.6990 -1108.8292 0.0000 0.0000 2712.7434 6211.0488 299.6301 3498.3054 6241.8277 300.9597 LDB: ============= START OF LOAD BALANCING ============== 5952.84 LDB: ============== END OF LOAD BALANCING =============== 5952.84 LDB: =============== DONE WITH MIGRATION ================ 5952.84 LDB: ============= START OF LOAD BALANCING ============== 5953.23 LDB: ============== END OF LOAD BALANCING =============== 5953.23 LDB: =============== DONE WITH MIGRATION ================ 5953.23 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: 5950.92, 0.00392481/step Wall: 5950.92, 0.00392481/step, 1.11595 hours remaining, 114.179688 MB of memory in use. ENERGY: 1476400 629.4356 1858.1144 1962.4166 103.4752 1.4419 -1091.2523 0.0000 0.0000 2664.6469 6128.2783 294.3177 3463.6314 6161.5364 299.3028 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: 5951.7, 0.00391796/step Wall: 5951.7, 0.00391796/step, 1.11379 hours remaining, 114.179688 MB of memory in use. ENERGY: 1476600 656.4519 1785.9306 1965.1108 107.9733 1.9584 -1070.1467 0.0000 0.0000 2667.3528 6114.6311 294.6165 3447.2783 6147.3629 294.3650 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: 5952.49, 0.00391861/step Wall: 5952.49, 0.00391861/step, 1.11376 hours remaining, 114.179688 MB of memory in use. ENERGY: 1476800 615.4742 1841.3718 1958.9837 112.1008 3.9977 -1070.0315 0.0000 0.0000 2671.8288 6133.7256 295.1109 3461.8968 6168.4559 294.8778 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: 5953.27, 0.00391868/step Wall: 5953.27, 0.00391868/step, 1.11356 hours remaining, 114.179688 MB of memory in use. ENERGY: 1477000 660.7961 1870.2697 1954.5158 96.5109 1.9761 -1108.1830 0.0000 0.0000 2684.7134 6160.5989 296.5341 3475.8855 6193.8145 296.0779 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: 5954.05, 0.0039125/step Wall: 5954.05, 0.0039125/step, 1.11158 hours remaining, 114.179688 MB of memory in use. ENERGY: 1477200 633.9830 1824.2038 2003.8445 106.4569 1.0651 -1065.1831 0.0000 0.0000 2688.5527 6192.9230 296.9581 3504.3702 6223.3442 297.1125 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: 5954.84, 0.00391878/step Wall: 5954.84, 0.00391877/step, 1.11315 hours remaining, 114.179688 MB of memory in use. ENERGY: 1477400 664.5123 1839.5326 1942.1138 107.8444 1.9175 -1068.4594 0.0000 0.0000 2689.4075 6176.8688 297.0526 3487.4613 6208.5773 297.5921 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: 5955.62, 0.00391679/step Wall: 5955.62, 0.0039168/step, 1.11237 hours remaining, 114.179688 MB of memory in use. ENERGY: 1477600 638.5317 1827.1547 1936.6749 117.4310 2.7857 -1047.5320 0.0000 0.0000 2736.1358 6211.1818 302.2138 3475.0460 6242.9454 299.2624 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: 5956.4, 0.00391976/step Wall: 5956.4, 0.00391976/step, 1.11299 hours remaining, 114.179688 MB of memory in use. ENERGY: 1477800 650.3460 1876.5799 1933.3170 120.0854 2.5035 -1090.5238 0.0000 0.0000 2707.6020 6199.9100 299.0622 3492.3080 6231.4783 298.3790 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: 5957.19, 0.00390963/step Wall: 5957.19, 0.00390963/step, 1.1099 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: 1478000 700.2712 1845.9799 1959.5425 106.7615 3.0173 -1076.9120 0.0000 0.0000 2688.7301 6227.3904 296.9777 3538.6603 6259.7546 299.3613 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: 5957.97, 0.00391873/step Wall: 5957.97, 0.00391873/step, 1.11227 hours remaining, 114.179688 MB of memory in use. ENERGY: 1478200 633.5987 1854.5070 1954.0178 110.0678 2.2146 -1061.4178 0.0000 0.0000 2724.4102 6217.3983 300.9187 3492.9880 6250.7441 302.3527 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: 5958.76, 0.0039272/step Wall: 5958.76, 0.0039272/step, 1.11445 hours remaining, 114.179688 MB of memory in use. ENERGY: 1478400 657.2123 1857.9947 1978.0619 115.8004 4.0383 -1071.9416 0.0000 0.0000 2720.9337 6262.0997 300.5347 3541.1660 6295.9081 300.8346 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: 5959.54, 0.00391706/step Wall: 5959.54, 0.00391706/step, 1.11136 hours remaining, 114.179688 MB of memory in use. ENERGY: 1478600 610.5722 1872.3669 1945.9253 107.7772 2.8388 -1062.6058 0.0000 0.0000 2721.4613 6198.3359 300.5930 3476.8746 6229.3322 300.4701 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: 5960.32, 0.00391906/step Wall: 5960.32, 0.00391906/step, 1.11171 hours remaining, 114.179688 MB of memory in use. ENERGY: 1478800 659.3321 1840.9728 1966.9678 101.9136 3.1546 -1069.2891 0.0000 0.0000 2709.9499 6213.0016 299.3215 3503.0518 6244.5177 298.5441 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: 5961.1, 0.00391195/step Wall: 5961.1, 0.00391195/step, 1.10947 hours remaining, 114.179688 MB of memory in use. ENERGY: 1479000 676.4481 1814.9486 1971.3633 108.0047 3.1886 -1066.1396 0.0000 0.0000 2735.4988 6243.3124 302.1435 3507.8136 6277.2903 300.2564 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: 5961.89, 0.00391801/step Wall: 5961.89, 0.00391801/step, 1.11097 hours remaining, 114.179688 MB of memory in use. ENERGY: 1479200 662.1527 1876.2841 1958.3514 97.3560 1.4444 -1068.6309 0.0000 0.0000 2696.8583 6223.8160 297.8755 3526.9577 6256.2976 300.2365 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: 5962.67, 0.0039202/step Wall: 5962.67, 0.0039202/step, 1.11138 hours remaining, 114.179688 MB of memory in use. ENERGY: 1479400 691.0399 1790.2800 1965.6643 107.9467 2.4270 -1065.3900 0.0000 0.0000 2761.1354 6253.1033 304.9751 3491.9679 6286.5975 300.8592 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: 5963.46, 0.00391791/step Wall: 5963.46, 0.00391791/step, 1.11051 hours remaining, 114.179688 MB of memory in use. ENERGY: 1479600 638.0051 1856.4408 1944.9027 123.0111 1.3583 -1088.3367 0.0000 0.0000 2750.3458 6225.7271 303.7834 3475.3813 6259.9242 301.1704 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: 5964.24, 0.00391176/step Wall: 5964.24, 0.00391176/step, 1.10855 hours remaining, 114.179688 MB of memory in use. ENERGY: 1479800 707.8737 1846.7611 1975.5609 106.8668 1.2323 -1068.5470 0.0000 0.0000 2677.8658 6247.6135 295.7777 3569.7478 6279.1147 301.5957 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: 5965.02, 0.00392035/step Wall: 5965.02, 0.00392035/step, 1.11077 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: 1480000 634.0206 1883.0997 1962.4049 117.2795 1.3930 -1087.9577 0.0000 0.0000 2752.5655 6262.8056 304.0285 3510.2401 6297.5967 301.7305 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1480000 WRITING COORDINATES TO DCD FILE MD.1.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: 5966.14, 0.00557272/step Wall: 5966.14, 0.00557272/step, 1.57863 hours remaining, 114.179688 MB of memory in use. ENERGY: 1480200 681.9606 1880.2361 1961.3214 111.2101 2.4360 -1068.3082 0.0000 0.0000 2654.4174 6223.2734 293.1878 3568.8560 6254.4367 301.3208 LDB: ============= START OF LOAD BALANCING ============== 5968.84 LDB: ============== END OF LOAD BALANCING =============== 5968.84 LDB: =============== DONE WITH MIGRATION ================ 5968.84 LDB: ============= START OF LOAD BALANCING ============== 5969.23 LDB: ============== END OF LOAD BALANCING =============== 5969.23 LDB: =============== DONE WITH MIGRATION ================ 5969.23 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: 5966.92, 0.00392298/step Wall: 5966.92, 0.00392298/step, 1.11107 hours remaining, 114.179688 MB of memory in use. ENERGY: 1480400 680.7109 1828.2969 1933.5457 103.2989 1.1509 -1074.9893 0.0000 0.0000 2765.7748 6237.7888 305.4875 3472.0140 6273.1254 301.2001 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: 5967.71, 0.0039197/step Wall: 5967.71, 0.0039197/step, 1.10993 hours remaining, 114.179688 MB of memory in use. ENERGY: 1480600 652.2092 1825.0322 1944.1508 99.2955 0.5527 -1085.6602 0.0000 0.0000 2753.4517 6189.0319 304.1264 3435.5801 6222.2127 300.3771 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: 5968.49, 0.00392246/step Wall: 5968.49, 0.00392246/step, 1.11049 hours remaining, 114.179688 MB of memory in use. ENERGY: 1480800 661.4653 1873.5583 1959.7335 100.5693 0.4725 -1058.5858 0.0000 0.0000 2678.9991 6216.2121 295.9029 3537.2130 6245.7560 300.5952 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: 5969.27, 0.00391682/step Wall: 5969.27, 0.00391683/step, 1.10868 hours remaining, 114.179688 MB of memory in use. ENERGY: 1481000 648.0404 1817.9513 1921.7400 111.9086 1.8124 -1092.2750 0.0000 0.0000 2729.0656 6138.2434 301.4329 3409.1778 6172.6807 296.1886 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: 5970.06, 0.00391286/step Wall: 5970.06, 0.00391286/step, 1.10734 hours remaining, 114.179688 MB of memory in use. ENERGY: 1481200 648.4300 1828.6405 1961.2793 111.6972 2.2887 -1086.1081 0.0000 0.0000 2746.0112 6212.2389 303.3046 3466.2277 6248.1886 298.7242 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: 5970.84, 0.00392058/step Wall: 5970.84, 0.00392058/step, 1.10931 hours remaining, 114.179688 MB of memory in use. ENERGY: 1481400 644.1352 1858.3770 1963.6114 102.7599 3.5299 -1059.7395 0.0000 0.0000 2740.0967 6252.7706 302.6513 3512.6739 6288.3008 300.0513 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: 5971.62, 0.00392071/step Wall: 5971.62, 0.00392071/step, 1.10913 hours remaining, 114.179688 MB of memory in use. ENERGY: 1481600 617.8092 1844.0602 1956.1816 108.7644 2.6094 -1099.3710 0.0000 0.0000 2760.3159 6190.3698 304.8846 3430.0539 6227.0004 300.5642 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: 5972.41, 0.00391909/step Wall: 5972.41, 0.00391909/step, 1.10845 hours remaining, 114.179688 MB of memory in use. ENERGY: 1481800 636.4656 1814.5248 1962.0734 114.3155 2.4070 -1055.8926 0.0000 0.0000 2761.7515 6235.6451 305.0431 3473.8936 6271.1441 300.1793 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: 5973.19, 0.00391234/step Wall: 5973.19, 0.00391234/step, 1.10632 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: 1482000 673.4722 1883.0492 1928.6214 104.9199 2.4469 -1093.0010 0.0000 0.0000 2652.6955 6152.2042 292.9976 3499.5087 6183.2750 297.4439 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: 5973.97, 0.00391915/step Wall: 5973.97, 0.00391915/step, 1.10803 hours remaining, 114.179688 MB of memory in use. ENERGY: 1482200 660.1955 1805.1351 1966.6841 105.2121 4.1888 -1096.6827 0.0000 0.0000 2724.8609 6169.5939 300.9685 3444.7330 6203.9415 297.2487 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: 5974.76, 0.00392093/step Wall: 5974.76, 0.00392093/step, 1.10832 hours remaining, 114.179688 MB of memory in use. ENERGY: 1482400 639.2911 1847.0854 1991.7431 117.9933 1.3899 -1097.4095 0.0000 0.0000 2646.1934 6146.2868 292.2794 3500.0934 6177.8548 297.8607 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: 5975.54, 0.00391895/step Wall: 5975.54, 0.00391895/step, 1.10754 hours remaining, 114.179688 MB of memory in use. ENERGY: 1482600 651.0371 1850.0473 1986.6732 108.1409 3.3124 -1063.0156 0.0000 0.0000 2626.8546 6163.0498 290.1434 3536.1952 6194.1575 294.3547 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: 5976.33, 0.00391973/step Wall: 5976.33, 0.00391973/step, 1.10754 hours remaining, 114.179688 MB of memory in use. ENERGY: 1482800 633.1169 1755.1731 1961.7690 111.5488 3.7134 -1060.8435 0.0000 0.0000 2748.2400 6152.7178 303.5508 3404.4778 6186.8601 295.6626 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: 5977.11, 0.00391276/step Wall: 5977.11, 0.00391276/step, 1.10536 hours remaining, 114.179688 MB of memory in use. ENERGY: 1483000 657.9358 1831.5391 1975.1202 91.3013 2.4569 -1104.6447 0.0000 0.0000 2713.7915 6167.5002 299.7458 3453.7087 6201.1778 295.1948 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: 5977.89, 0.0039185/step Wall: 5977.89, 0.0039185/step, 1.10676 hours remaining, 114.179688 MB of memory in use. ENERGY: 1483200 649.6592 1814.3423 1969.4310 100.1407 2.6398 -1080.9169 0.0000 0.0000 2722.6096 6177.9058 300.7198 3455.2961 6211.8369 298.1291 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: 5978.68, 0.0039205/step Wall: 5978.68, 0.0039205/step, 1.1071 hours remaining, 114.179688 MB of memory in use. ENERGY: 1483400 655.1583 1813.4575 1994.0487 107.3296 1.2052 -1116.0379 0.0000 0.0000 2766.3088 6221.4702 305.5465 3455.1615 6252.6668 299.1249 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: 5979.46, 0.00391844/step Wall: 5979.46, 0.00391844/step, 1.1063 hours remaining, 114.179688 MB of memory in use. ENERGY: 1483600 627.9332 1844.7342 1950.2619 100.0659 2.2647 -1104.0614 0.0000 0.0000 2729.5256 6150.7240 301.4837 3421.1984 6185.1860 300.3971 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: 5980.24, 0.00391416/step Wall: 5980.24, 0.00391416/step, 1.10488 hours remaining, 114.179688 MB of memory in use. ENERGY: 1483800 659.8088 1838.2533 1926.5899 101.6106 0.6662 -1065.4747 0.0000 0.0000 2671.7265 6133.1807 295.0996 3461.4541 6164.6241 295.9603 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: 5981.03, 0.00392251/step Wall: 5981.03, 0.00392251/step, 1.10702 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: 1484000 681.4417 1827.1853 1959.7602 106.5081 1.5640 -1072.1906 0.0000 0.0000 2619.4587 6123.7274 289.3265 3504.2687 6154.8096 295.8050 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: 5981.81, 0.00391894/step Wall: 5981.81, 0.00391894/step, 1.10579 hours remaining, 114.179688 MB of memory in use. ENERGY: 1484200 681.4029 1906.0471 1908.9011 96.7796 1.5256 -1096.8888 0.0000 0.0000 2720.1229 6217.8903 300.4452 3497.7674 6249.8359 298.0455 LDB: ============= START OF LOAD BALANCING ============== 5984.51 LDB: ============== END OF LOAD BALANCING =============== 5984.51 LDB: =============== DONE WITH MIGRATION ================ 5984.51 LDB: ============= START OF LOAD BALANCING ============== 5984.9 LDB: ============== END OF LOAD BALANCING =============== 5984.9 LDB: =============== DONE WITH MIGRATION ================ 5984.9 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: 5982.6, 0.00392307/step Wall: 5982.6, 0.00392307/step, 1.10674 hours remaining, 114.179688 MB of memory in use. ENERGY: 1484400 650.8848 1816.4554 1958.7067 101.7777 3.0486 -1087.4625 0.0000 0.0000 2760.4695 6203.8801 304.9015 3443.4107 6239.6971 300.5588 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: 5983.38, 0.00391973/step Wall: 5983.38, 0.00391973/step, 1.10558 hours remaining, 114.179688 MB of memory in use. ENERGY: 1484600 680.0847 1844.9035 1967.0481 105.1747 3.2527 -1090.6671 0.0000 0.0000 2665.4154 6175.2120 294.4026 3509.7966 6209.0788 297.8821 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: 5984.16, 0.00391289/step Wall: 5984.16, 0.00391289/step, 1.10343 hours remaining, 114.179688 MB of memory in use. ENERGY: 1484800 690.4423 1817.6079 1938.3418 102.1747 3.3158 -1078.4841 0.0000 0.0000 2701.0491 6174.4476 298.3384 3473.3985 6209.5077 297.9489 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: 5984.95, 0.00392146/step Wall: 5984.95, 0.00392146/step, 1.10563 hours remaining, 114.179688 MB of memory in use. ENERGY: 1485000 653.2544 1825.6013 1969.9135 106.1031 2.2696 -1058.2932 0.0000 0.0000 2687.5049 6186.3535 296.8424 3498.8487 6215.7983 297.7940 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: 5985.73, 0.00391844/step Wall: 5985.73, 0.00391844/step, 1.10456 hours remaining, 114.179688 MB of memory in use. ENERGY: 1485200 640.5610 1831.0139 1973.1100 100.3879 1.6722 -1060.2445 0.0000 0.0000 2735.9736 6222.4742 302.1959 3486.5006 6258.0594 299.6870 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: 5986.51, 0.00391901/step Wall: 5986.51, 0.00391901/step, 1.10451 hours remaining, 114.179688 MB of memory in use. ENERGY: 1485400 622.5521 1824.2104 1948.1787 106.8750 2.3315 -1097.2460 0.0000 0.0000 2766.1241 6173.0259 305.5261 3406.9018 6206.4741 299.7452 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: 5987.3, 0.00391752/step Wall: 5987.3, 0.00391752/step, 1.10387 hours remaining, 114.179688 MB of memory in use. ENERGY: 1485600 639.3022 1902.9356 1957.7815 99.5699 2.5435 -1061.9706 0.0000 0.0000 2659.5170 6199.6791 293.7511 3540.1621 6230.9957 298.4104 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: 5988.08, 0.00391381/step Wall: 5988.08, 0.00391381/step, 1.10261 hours remaining, 114.179688 MB of memory in use. ENERGY: 1485800 671.9055 1838.5833 1974.6188 101.4602 1.1903 -1115.0095 0.0000 0.0000 2700.0828 6172.8313 298.2317 3472.7485 6204.2659 299.5841 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: 5988.86, 0.00391879/step Wall: 5988.86, 0.00391879/step, 1.10379 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: 1486000 626.2804 1833.4196 1961.1839 113.4721 1.3691 -1076.0741 0.0000 0.0000 2706.6923 6166.3434 298.9617 3459.6510 6197.3551 298.2849 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: 5989.65, 0.00391815/step Wall: 5989.65, 0.00391815/step, 1.10339 hours remaining, 114.179688 MB of memory in use. ENERGY: 1486200 639.0606 1848.8836 1943.1731 98.5786 0.7690 -1059.8676 0.0000 0.0000 2664.2522 6134.8496 294.2741 3470.5974 6165.6401 298.4932 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: 5990.43, 0.00391707/step Wall: 5990.43, 0.00391707/step, 1.10287 hours remaining, 114.179688 MB of memory in use. ENERGY: 1486400 653.1357 1842.7972 1951.7457 112.5740 2.8043 -1102.7541 0.0000 0.0000 2689.5173 6149.8202 297.0647 3460.3029 6182.8694 295.2647 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: 5991.21, 0.00391175/step Wall: 5991.21, 0.00391175/step, 1.10116 hours remaining, 114.179688 MB of memory in use. ENERGY: 1486600 662.7102 1819.0613 1961.6322 99.6101 1.8939 -1098.0181 0.0000 0.0000 2751.5932 6198.4827 303.9211 3446.8895 6232.9378 298.7110 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: 5992, 0.00391739/step Wall: 5992, 0.00391739/step, 1.10253 hours remaining, 114.179688 MB of memory in use. ENERGY: 1486800 656.5606 1841.4438 1988.4268 103.2949 2.7927 -1089.9135 0.0000 0.0000 2753.3535 6255.9588 304.1156 3502.6053 6288.6329 300.7224 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: 5992.78, 0.00391738/step Wall: 5992.78, 0.00391738/step, 1.10231 hours remaining, 114.179688 MB of memory in use. ENERGY: 1487000 654.8273 1841.6735 1995.2233 113.6660 2.0804 -1030.0500 0.0000 0.0000 2679.9902 6257.4108 296.0124 3577.4206 6287.3667 301.6841 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: 5993.56, 0.00391705/step Wall: 5993.56, 0.00391705/step, 1.102 hours remaining, 114.179688 MB of memory in use. ENERGY: 1487200 681.8359 1844.4522 1968.1937 104.8616 2.5030 -1105.3082 0.0000 0.0000 2731.4380 6227.9762 301.6949 3496.5382 6262.5895 301.7812 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: 5994.35, 0.00391732/step Wall: 5994.35, 0.00391732/step, 1.10185 hours remaining, 114.179688 MB of memory in use. ENERGY: 1487400 643.4473 1883.5596 1987.7055 105.6666 3.1992 -1102.2672 0.0000 0.0000 2730.6702 6251.9812 301.6101 3521.3110 6284.6757 302.7724 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: 5995.13, 0.00391155/step Wall: 5995.13, 0.00391155/step, 1.10001 hours remaining, 114.179688 MB of memory in use. ENERGY: 1487600 613.9360 1820.4959 1998.0851 113.7285 1.9558 -1066.6018 0.0000 0.0000 2736.2900 6217.8895 302.2309 3481.5995 6253.0242 301.3448 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: 5995.91, 0.00391667/step Wall: 5995.91, 0.00391667/step, 1.10124 hours remaining, 114.179688 MB of memory in use. ENERGY: 1487800 649.3657 1834.0955 1980.7986 96.8496 2.6478 -1062.7897 0.0000 0.0000 2753.5102 6254.4778 304.1329 3500.9676 6289.0754 300.5450 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: 5996.7, 0.00391719/step Wall: 5996.7, 0.00391719/step, 1.10117 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: 1488000 651.1968 1858.5680 1981.9230 103.9866 1.7507 -1061.8628 0.0000 0.0000 2725.9508 6261.5131 301.0889 3535.5623 6295.5007 301.5178 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: 5997.48, 0.00392119/step Wall: 5997.48, 0.00392118/step, 1.10207 hours remaining, 114.179688 MB of memory in use. ENERGY: 1488200 651.9864 1848.0117 1972.1950 104.5600 0.6858 -1121.9844 0.0000 0.0000 2737.1143 6192.5688 302.3219 3455.4545 6226.4711 301.0259 LDB: ============= START OF LOAD BALANCING ============== 6000.18 LDB: ============== END OF LOAD BALANCING =============== 6000.18 LDB: =============== DONE WITH MIGRATION ================ 6000.18 LDB: ============= START OF LOAD BALANCING ============== 6000.57 LDB: ============== END OF LOAD BALANCING =============== 6000.57 LDB: =============== DONE WITH MIGRATION ================ 6000.57 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: 5998.26, 0.00391735/step Wall: 5998.26, 0.00391736/step, 1.10078 hours remaining, 114.179688 MB of memory in use. ENERGY: 1488400 605.8488 1867.7730 1983.7277 110.4778 1.7608 -1109.8496 0.0000 0.0000 2724.0498 6183.7883 300.8789 3459.7385 6215.8646 300.0312 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: 5999.05, 0.00391986/step Wall: 5999.05, 0.00391986/step, 1.10126 hours remaining, 114.179688 MB of memory in use. ENERGY: 1488600 659.4061 1884.4474 1967.7896 105.5929 2.6135 -1104.8523 0.0000 0.0000 2634.0719 6149.0692 290.9406 3514.9973 6177.0380 298.0758 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: 5999.83, 0.00391714/step Wall: 5999.83, 0.00391714/step, 1.10028 hours remaining, 114.179688 MB of memory in use. ENERGY: 1488800 640.5923 1792.6477 1967.5875 104.9708 1.1382 -1073.0397 0.0000 0.0000 2724.8141 6158.7110 300.9633 3433.8969 6192.9188 298.7520 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: 6000.62, 0.00391937/step Wall: 6000.62, 0.00391937/step, 1.10069 hours remaining, 114.179688 MB of memory in use. ENERGY: 1489000 626.0871 1813.6030 1955.8224 102.0139 1.7397 -1047.6551 0.0000 0.0000 2685.4089 6137.0199 296.6109 3451.6110 6170.4005 295.8311 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: 6001.42, 0.00404425/step Wall: 6001.42, 0.00404425/step, 1.13553 hours remaining, 114.179688 MB of memory in use. ENERGY: 1489200 679.4350 1855.7362 1946.6841 103.4472 0.7033 -1093.0521 0.0000 0.0000 2658.9127 6151.8665 293.6843 3492.9537 6180.9799 298.1056 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: 6002.21, 0.00391168/step Wall: 6002.21, 0.00391168/step, 1.0981 hours remaining, 114.179688 MB of memory in use. ENERGY: 1489400 659.9071 1781.1929 1936.4195 114.0552 2.0963 -1066.0636 0.0000 0.0000 2727.8642 6155.4717 301.3002 3427.6075 6190.9378 298.0128 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: 6002.99, 0.00391172/step Wall: 6002.99, 0.00391172/step, 1.09789 hours remaining, 114.179688 MB of memory in use. ENERGY: 1489600 652.2720 1833.1560 1946.5865 123.9638 2.2511 -1078.1491 0.0000 0.0000 2702.9581 6183.0382 298.5492 3480.0801 6213.0437 297.2002 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: 6003.77, 0.00391252/step Wall: 6003.77, 0.00391252/step, 1.0979 hours remaining, 114.179688 MB of memory in use. ENERGY: 1489800 636.4737 1823.8927 1948.9564 110.0646 2.0736 -1097.5823 0.0000 0.0000 2817.1220 6241.0008 311.1590 3423.8788 6278.9318 300.2168 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: 6004.55, 0.00391104/step Wall: 6004.55, 0.00391104/step, 1.09726 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: 1490000 621.2034 1858.5588 1991.6402 111.2509 0.2917 -1078.1172 0.0000 0.0000 2750.1497 6254.9774 303.7617 3504.8278 6287.4069 302.3836 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1490000 WRITING COORDINATES TO DCD FILE MD.1.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: 6005.42, 0.004319/step Wall: 6005.42, 0.004319/step, 1.21148 hours remaining, 114.179688 MB of memory in use. ENERGY: 1490200 707.5713 1818.7414 1958.4760 115.5651 0.0965 -1105.4446 0.0000 0.0000 2728.2913 6223.2972 301.3474 3495.0059 6254.8529 300.8423 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: 6006.2, 0.00392098/step Wall: 6006.2, 0.00392098/step, 1.09962 hours remaining, 114.179688 MB of memory in use. ENERGY: 1490400 661.5383 1805.5823 1982.2334 111.7920 1.8151 -1061.2928 0.0000 0.0000 2711.2188 6212.8871 299.4617 3501.6683 6248.6455 301.6944 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: 6006.99, 0.00392081/step Wall: 6006.99, 0.00392081/step, 1.09935 hours remaining, 114.179688 MB of memory in use. ENERGY: 1490600 666.4044 1868.7885 1963.4678 111.6256 2.5726 -1115.1972 0.0000 0.0000 2684.2083 6181.8701 296.4783 3497.6618 6215.3358 299.1907 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: 6007.77, 0.00391456/step Wall: 6007.77, 0.00391456/step, 1.09738 hours remaining, 114.179688 MB of memory in use. ENERGY: 1490800 667.2055 1851.7964 1977.8531 109.2421 2.8024 -1105.9862 0.0000 0.0000 2693.5474 6196.4607 297.5098 3502.9133 6227.0359 299.4713 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: 6008.55, 0.00392913/step Wall: 6008.55, 0.00392913/step, 1.10125 hours remaining, 114.179688 MB of memory in use. ENERGY: 1491000 670.4668 1878.2011 1992.0295 105.2565 2.4882 -1073.1250 0.0000 0.0000 2671.3776 6246.6946 295.0611 3575.3170 6278.1273 300.6064 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: 6009.34, 0.00391581/step Wall: 6009.34, 0.00391581/step, 1.0973 hours remaining, 114.179688 MB of memory in use. ENERGY: 1491200 637.4625 1853.8267 1994.0934 109.0352 2.0378 -1082.8231 0.0000 0.0000 2757.1579 6270.7904 304.5358 3513.6325 6305.8539 302.0899 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: 6010.12, 0.00391096/step Wall: 6010.12, 0.00391096/step, 1.09572 hours remaining, 114.179688 MB of memory in use. ENERGY: 1491400 646.7749 1845.0447 1966.2123 118.9343 1.8914 -1070.6349 0.0000 0.0000 2762.8694 6271.0922 305.1666 3508.2228 6306.6751 303.2584 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: 6010.9, 0.00391664/step Wall: 6010.9, 0.00391664/step, 1.09709 hours remaining, 114.179688 MB of memory in use. ENERGY: 1491600 656.0022 1928.7702 1976.1566 113.4635 1.2734 -1111.2379 0.0000 0.0000 2700.7530 6265.1810 298.3057 3564.4280 6296.0471 302.5924 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: 6011.69, 0.00391518/step Wall: 6011.69, 0.00391518/step, 1.09647 hours remaining, 114.179688 MB of memory in use. ENERGY: 1491800 682.1013 1831.4520 1973.2312 117.2765 1.6763 -1077.2967 0.0000 0.0000 2711.6564 6240.0969 299.5100 3528.4405 6272.3643 302.9041 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: 6012.47, 0.00391703/step Wall: 6012.47, 0.00391703/step, 1.09677 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: 1492000 648.2746 1874.9117 1956.6617 117.1852 1.2840 -1075.2996 0.0000 0.0000 2715.6287 6238.6463 299.9488 3523.0177 6271.5457 302.6769 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: 6013.25, 0.0039099/step Wall: 6013.25, 0.0039099/step, 1.09455 hours remaining, 114.179688 MB of memory in use. ENERGY: 1492200 671.1797 1841.8331 1959.8605 97.7576 1.3324 -1081.4472 0.0000 0.0000 2762.2772 6252.7933 305.1012 3490.5161 6285.7765 303.4529 LDB: ============= START OF LOAD BALANCING ============== 6015.95 LDB: ============== END OF LOAD BALANCING =============== 6015.95 LDB: =============== DONE WITH MIGRATION ================ 6015.95 LDB: ============= START OF LOAD BALANCING ============== 6016.34 LDB: ============== END OF LOAD BALANCING =============== 6016.34 LDB: =============== DONE WITH MIGRATION ================ 6016.34 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: 6014.04, 0.00392075/step Wall: 6014.04, 0.00392075/step, 1.09737 hours remaining, 114.179688 MB of memory in use. ENERGY: 1492400 647.6194 1864.4007 1971.9218 97.9665 1.3135 -1106.4107 0.0000 0.0000 2797.3669 6274.1782 308.9770 3476.8113 6310.7834 303.1398 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: 6014.82, 0.00391546/step Wall: 6014.82, 0.00391546/step, 1.09567 hours remaining, 114.179688 MB of memory in use. ENERGY: 1492600 650.8476 1871.4273 1997.0017 115.9931 2.2227 -1084.3353 0.0000 0.0000 2711.7329 6264.8899 299.5184 3553.1570 6297.0712 301.9925 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: 6015.6, 0.00391543/step Wall: 6015.6, 0.00391542/step, 1.09545 hours remaining, 114.179688 MB of memory in use. ENERGY: 1492800 646.2519 1860.1800 1991.5940 124.9043 1.3222 -1078.3696 0.0000 0.0000 2745.6292 6291.5121 303.2624 3545.8829 6325.3798 304.4150 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: 6016.39, 0.00391532/step Wall: 6016.39, 0.00391532/step, 1.0952 hours remaining, 114.179688 MB of memory in use. ENERGY: 1493000 689.9961 1843.1246 1973.4366 111.9457 2.9940 -1091.9317 0.0000 0.0000 2769.8651 6299.4304 305.9393 3529.5653 6332.9474 304.6348 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: 6017.17, 0.00391011/step Wall: 6017.17, 0.00391011/step, 1.09353 hours remaining, 114.179688 MB of memory in use. ENERGY: 1493200 623.2273 1853.7636 1967.0467 113.8190 2.8530 -1080.1096 0.0000 0.0000 2743.6371 6224.2370 303.0424 3480.5999 6259.3795 301.7052 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: 6017.95, 0.00391562/step Wall: 6017.95, 0.00391562/step, 1.09485 hours remaining, 114.179688 MB of memory in use. ENERGY: 1493400 629.9950 1770.0092 1956.4261 123.4628 3.1516 -1061.9350 0.0000 0.0000 2771.7159 6192.8257 306.1437 3421.1098 6228.2549 301.1076 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: 6018.73, 0.00391614/step Wall: 6018.73, 0.00391614/step, 1.09478 hours remaining, 114.179688 MB of memory in use. ENERGY: 1493600 645.5785 1818.7869 1951.6992 110.8291 2.6901 -1084.7850 0.0000 0.0000 2728.2913 6173.0901 301.3474 3444.7988 6205.4357 299.5852 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: 6019.52, 0.003914/step Wall: 6019.52, 0.003914/step, 1.09396 hours remaining, 114.179688 MB of memory in use. ENERGY: 1493800 619.9560 1815.2842 1964.8808 106.9224 2.3371 -1057.5712 0.0000 0.0000 2745.0126 6196.8218 303.1943 3451.8092 6231.6889 298.6215 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: 6020.3, 0.00390938/step Wall: 6020.3, 0.00390938/step, 1.09246 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: 1494000 613.9123 1865.4832 1978.6077 109.1026 3.2305 -1082.8391 0.0000 0.0000 2693.1987 6180.6960 297.4713 3487.4973 6215.3496 298.6030 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: 6021.08, 0.00391473/step Wall: 6021.08, 0.00391473/step, 1.09373 hours remaining, 114.179688 MB of memory in use. ENERGY: 1494200 655.2670 1878.3081 1947.5157 93.7365 2.6593 -1075.8748 0.0000 0.0000 2742.8474 6244.4592 302.9551 3501.6118 6279.7817 299.9271 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: 6021.86, 0.00391582/step Wall: 6021.86, 0.00391582/step, 1.09382 hours remaining, 114.179688 MB of memory in use. ENERGY: 1494400 679.3376 1833.8323 1976.1646 97.9160 2.1008 -1054.1359 0.0000 0.0000 2701.7000 6236.9153 298.4103 3535.2153 6271.9938 301.3774 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: 6022.65, 0.00391573/step Wall: 6022.65, 0.00391573/step, 1.09358 hours remaining, 114.179688 MB of memory in use. ENERGY: 1494600 645.9347 1898.0748 1942.5074 112.3822 1.0582 -1073.1477 0.0000 0.0000 2667.9838 6194.7933 294.6862 3526.8095 6224.2937 302.0771 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: 6023.43, 0.00391371/step Wall: 6023.43, 0.00391371/step, 1.0928 hours remaining, 114.179688 MB of memory in use. ENERGY: 1494800 625.7891 1847.9087 1945.4363 116.4179 2.0775 -1091.2558 0.0000 0.0000 2739.6181 6185.9918 302.5984 3446.3738 6220.1247 299.9307 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: 6024.21, 0.00390787/step Wall: 6024.21, 0.00390787/step, 1.09095 hours remaining, 114.179688 MB of memory in use. ENERGY: 1495000 703.2162 1837.1274 1928.8686 100.0361 0.8211 -1074.1117 0.0000 0.0000 2695.9350 6191.8926 297.7735 3495.9576 6224.4954 298.8976 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: 6025, 0.00391616/step Wall: 6025, 0.00391616/step, 1.09304 hours remaining, 114.179688 MB of memory in use. ENERGY: 1495200 660.7283 1872.8711 1962.9511 100.4065 2.2119 -1081.6376 0.0000 0.0000 2718.1197 6235.6510 300.2239 3517.5312 6265.7507 300.4841 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: 6025.78, 0.00391499/step Wall: 6025.78, 0.00391499/step, 1.0925 hours remaining, 114.179688 MB of memory in use. ENERGY: 1495400 682.6994 1844.2639 1966.8029 108.7818 2.1501 -1101.7170 0.0000 0.0000 2735.4469 6238.4280 302.1377 3502.9811 6270.2511 301.9584 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: 6026.56, 0.00391637/step Wall: 6026.56, 0.00391637/step, 1.09267 hours remaining, 114.179688 MB of memory in use. ENERGY: 1495600 686.2513 1882.1249 1950.5146 111.3271 3.2256 -1081.9833 0.0000 0.0000 2703.4427 6254.9029 298.6028 3551.4602 6286.9359 302.2767 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: 6027.34, 0.00391013/step Wall: 6027.34, 0.00391013/step, 1.09071 hours remaining, 114.179688 MB of memory in use. ENERGY: 1495800 700.3611 1811.3337 1938.0983 110.6827 0.9135 -1087.0455 0.0000 0.0000 2704.7040 6179.0477 298.7421 3474.3437 6212.0807 300.9965 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: 6029.09, 0.00871004/step Wall: 6029.09, 0.00871004/step, 2.42913 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: 1496000 661.1520 1801.3710 1992.0466 117.4177 1.5071 -1092.5588 0.0000 0.0000 2734.6206 6215.5563 302.0465 3480.9356 6247.7872 299.9064 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: 6029.88, 0.00396165/step Wall: 6029.88, 0.00396165/step, 1.10464 hours remaining, 114.179688 MB of memory in use. ENERGY: 1496200 656.6992 1840.1167 1959.5966 110.4925 1.2209 -1060.5155 0.0000 0.0000 2665.5801 6173.1904 294.4207 3507.6104 6205.3572 298.8414 LDB: ============= START OF LOAD BALANCING ============== 6032.58 LDB: ============== END OF LOAD BALANCING =============== 6032.58 LDB: =============== DONE WITH MIGRATION ================ 6032.58 LDB: ============= START OF LOAD BALANCING ============== 6032.97 LDB: ============== END OF LOAD BALANCING =============== 6032.97 LDB: =============== DONE WITH MIGRATION ================ 6032.97 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: 6030.66, 0.00392205/step Wall: 6030.66, 0.00392205/step, 1.09338 hours remaining, 114.179688 MB of memory in use. ENERGY: 1496400 622.6161 1832.9723 1971.8813 111.9612 1.4864 -1109.4320 0.0000 0.0000 2752.8382 6184.3234 304.0587 3431.4852 6218.7588 299.1600 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: 6031.45, 0.00391552/step Wall: 6031.45, 0.00391552/step, 1.09134 hours remaining, 114.179688 MB of memory in use. ENERGY: 1496600 643.5988 1819.0909 1961.3280 116.0294 2.7065 -1075.7466 0.0000 0.0000 2734.8259 6201.8329 302.0691 3467.0070 6236.9844 298.4863 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: 6032.23, 0.00391031/step Wall: 6032.23, 0.00391031/step, 1.08967 hours remaining, 114.179688 MB of memory in use. ENERGY: 1496800 667.3986 1865.0321 1980.9015 106.6538 1.6313 -1085.8267 0.0000 0.0000 2701.7307 6237.5214 298.4137 3535.7906 6267.9560 300.5672 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: 6033.01, 0.00391791/step Wall: 6033.01, 0.00391791/step, 1.09157 hours remaining, 114.179688 MB of memory in use. ENERGY: 1497000 620.3932 1857.3246 1951.9012 118.0025 1.5734 -1078.4109 0.0000 0.0000 2758.0851 6228.8690 304.6382 3470.7839 6264.1363 302.1654 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: 6033.79, 0.00391624/step Wall: 6033.79, 0.00391624/step, 1.09089 hours remaining, 114.179688 MB of memory in use. ENERGY: 1497200 681.5889 1891.6127 1942.5713 119.3679 2.6377 -1092.2711 0.0000 0.0000 2699.3891 6244.8965 298.1550 3545.5074 6273.5871 303.1441 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: 6034.58, 0.00391666/step Wall: 6034.58, 0.00391666/step, 1.09079 hours remaining, 114.179688 MB of memory in use. ENERGY: 1497400 639.5491 1823.9843 1955.8710 113.3103 2.1260 -1042.0734 0.0000 0.0000 2760.6338 6253.4012 304.9197 3492.7673 6288.3738 302.8275 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: 6035.36, 0.00391178/step Wall: 6035.36, 0.00391178/step, 1.08921 hours remaining, 114.179688 MB of memory in use. ENERGY: 1497600 670.6343 1851.3958 1935.2073 112.7779 2.5687 -1062.5548 0.0000 0.0000 2691.6915 6201.7207 297.3048 3510.0292 6234.1413 299.4864 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: 6036.14, 0.00391611/step Wall: 6036.14, 0.00391611/step, 1.0902 hours remaining, 114.179688 MB of memory in use. ENERGY: 1497800 649.3149 1896.4642 1946.5149 105.3247 2.7446 -1086.8682 0.0000 0.0000 2683.6861 6197.1812 296.4206 3513.4952 6229.6778 299.9123 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: 6036.93, 0.00391811/step Wall: 6036.93, 0.00391811/step, 1.09054 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: 1498000 635.1734 1830.0150 1947.7607 110.7626 2.5105 -1082.2956 0.0000 0.0000 2692.9674 6136.8940 297.4458 3443.9266 6171.8159 297.9902 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: 6037.71, 0.00392621/step Wall: 6037.71, 0.00392621/step, 1.09258 hours remaining, 114.179688 MB of memory in use. ENERGY: 1498200 655.6272 1830.5774 1930.2108 101.2573 3.9694 -1072.5578 0.0000 0.0000 2675.1220 6124.2064 295.4747 3449.0843 6156.2933 297.5105 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: 6038.5, 0.00391743/step Wall: 6038.5, 0.00391743/step, 1.08992 hours remaining, 114.179688 MB of memory in use. ENERGY: 1498400 644.3930 1832.6749 1965.3353 105.8421 3.1409 -1067.8435 0.0000 0.0000 2623.6805 6107.2231 289.7928 3483.5426 6142.4596 294.2302 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: 6039.28, 0.00391114/step Wall: 6039.28, 0.00391114/step, 1.08795 hours remaining, 114.179688 MB of memory in use. ENERGY: 1498600 671.2485 1785.3803 1967.6980 112.2639 2.3901 -1100.9974 0.0000 0.0000 2627.3563 6065.3397 290.1988 3437.9834 6096.2156 291.6371 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: 6040.06, 0.00391925/step Wall: 6040.06, 0.00391925/step, 1.08999 hours remaining, 114.179688 MB of memory in use. ENERGY: 1498800 618.9362 1817.4754 1946.3520 108.1271 3.0127 -1094.6705 0.0000 0.0000 2723.5149 6122.7477 300.8198 3399.2328 6158.0326 293.0561 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: 6040.85, 0.00391926/step Wall: 6040.85, 0.00391926/step, 1.08977 hours remaining, 114.179688 MB of memory in use. ENERGY: 1499000 614.8207 1883.9033 1934.2928 109.6935 2.0924 -1085.1605 0.0000 0.0000 2670.6493 6130.2915 294.9807 3459.6423 6163.2333 294.5552 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: 6041.63, 0.00391837/step Wall: 6041.63, 0.00391837/step, 1.08931 hours remaining, 114.179688 MB of memory in use. ENERGY: 1499200 671.2234 1857.7965 1959.0404 103.8841 0.8031 -1092.3728 0.0000 0.0000 2672.5234 6172.8981 295.1877 3500.3747 6203.3228 296.3828 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: 6042.41, 0.0039195/step Wall: 6042.41, 0.0039195/step, 1.0894 hours remaining, 114.179688 MB of memory in use. ENERGY: 1499400 659.9806 1793.3467 1977.3110 101.2017 1.6628 -1039.5296 0.0000 0.0000 2715.9942 6209.9674 299.9891 3493.9732 6242.5128 298.9223 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: 6043.2, 0.00391111/step Wall: 6043.2, 0.00391111/step, 1.08685 hours remaining, 114.179688 MB of memory in use. ENERGY: 1499600 631.8438 1866.7059 1970.7783 112.4694 0.6793 -1042.7586 0.0000 0.0000 2682.6521 6222.3703 296.3064 3539.7182 6254.3808 299.1234 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: 6043.98, 0.00391839/step Wall: 6043.98, 0.00391839/step, 1.08866 hours remaining, 114.179688 MB of memory in use. ENERGY: 1499800 660.4496 1894.7114 1940.4903 110.2998 0.6819 -1079.8385 0.0000 0.0000 2709.9073 6236.7019 299.3168 3526.7945 6268.8609 300.4492 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: 6044.76, 0.0039192/step Wall: 6044.76, 0.0039192/step, 1.08867 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: 1500000 663.5067 1871.6380 1980.2316 107.7869 0.7225 -1084.3132 0.0000 0.0000 2682.8408 6222.4133 296.3272 3539.5725 6251.7041 300.8500 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1500000 WRITING COORDINATES TO DCD FILE MD.1.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: 6046.55, 0.00894211/step Wall: 6046.55, 0.00894211/step, 2.48342 hours remaining, 114.179688 MB of memory in use. ENERGY: 1500200 647.9374 1866.4303 1987.9716 101.2222 2.1560 -1056.2416 0.0000 0.0000 2653.5331 6203.0091 293.0901 3549.4760 6234.7901 299.4101 LDB: ============= START OF LOAD BALANCING ============== 6049.25 LDB: ============== END OF LOAD BALANCING =============== 6049.25 LDB: =============== DONE WITH MIGRATION ================ 6049.25 LDB: ============= START OF LOAD BALANCING ============== 6049.64 LDB: ============== END OF LOAD BALANCING =============== 6049.64 LDB: =============== DONE WITH MIGRATION ================ 6049.64 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: 6047.33, 0.00391569/step Wall: 6047.33, 0.00391569/step, 1.08726 hours remaining, 114.179688 MB of memory in use. ENERGY: 1500400 628.3910 1821.5938 1974.9337 118.0856 1.0989 -1070.3471 0.0000 0.0000 2715.2655 6189.0215 299.9086 3473.7560 6218.9230 298.4722 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: 6048.12, 0.00391703/step Wall: 6048.12, 0.00391703/step, 1.08741 hours remaining, 114.179688 MB of memory in use. ENERGY: 1500600 684.4149 1811.0725 1950.4497 119.4834 0.5976 -1043.8603 0.0000 0.0000 2681.4016 6203.5594 296.1683 3522.1578 6236.3870 298.8506 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: 6048.9, 0.0039197/step Wall: 6048.9, 0.0039197/step, 1.08793 hours remaining, 114.179688 MB of memory in use. ENERGY: 1500800 618.0638 1833.3184 1965.8861 108.8349 1.6861 -1043.7762 0.0000 0.0000 2781.5370 6265.5502 307.2285 3484.0132 6300.2371 300.9983 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: 6049.69, 0.0039192/step Wall: 6049.69, 0.0039192/step, 1.08758 hours remaining, 114.179688 MB of memory in use. ENERGY: 1501000 652.8928 1884.4851 1999.5455 108.0083 1.3301 -1084.1489 0.0000 0.0000 2713.0362 6275.1490 299.6624 3562.1128 6307.5600 302.1633 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: 6050.47, 0.00391863/step Wall: 6050.47, 0.00391863/step, 1.0872 hours remaining, 114.179688 MB of memory in use. ENERGY: 1501200 652.9895 1847.2801 1981.2078 115.5841 2.4136 -1059.2503 0.0000 0.0000 2744.0564 6284.2811 303.0887 3540.2247 6319.3657 303.6286 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: 6051.25, 0.00391072/step Wall: 6051.25, 0.00391072/step, 1.08479 hours remaining, 114.179688 MB of memory in use. ENERGY: 1501400 635.0029 1847.9730 1973.2187 111.8988 0.8198 -1051.6607 0.0000 0.0000 2705.0495 6222.3019 298.7802 3517.2525 6256.4842 301.9120 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: 6052.03, 0.00391855/step Wall: 6052.03, 0.00391855/step, 1.08674 hours remaining, 114.179688 MB of memory in use. ENERGY: 1501600 675.0686 1860.0123 1950.4959 115.2956 1.3121 -1106.4277 0.0000 0.0000 2715.6742 6211.4310 299.9538 3495.7569 6244.5826 298.5239 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: 6052.82, 0.00391817/step Wall: 6052.82, 0.00391817/step, 1.08642 hours remaining, 114.179688 MB of memory in use. ENERGY: 1501800 631.4389 1839.7423 1964.9503 111.9925 1.4325 -1072.4152 0.0000 0.0000 2761.6951 6238.8363 305.0369 3477.1413 6275.7099 299.2444 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: 6053.6, 0.00391907/step Wall: 6053.6, 0.00391907/step, 1.08645 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: 1502000 658.3997 1911.1374 2016.1070 116.3659 1.4243 -1078.6961 0.0000 0.0000 2649.5870 6274.3253 292.6543 3624.7383 6306.1193 301.1510 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: 6054.38, 0.00391222/step Wall: 6054.38, 0.00391222/step, 1.08434 hours remaining, 114.179688 MB of memory in use. ENERGY: 1502200 639.8130 1863.9293 1965.6441 114.8499 -0.5402 -1091.2976 0.0000 0.0000 2717.2557 6209.6541 300.1285 3492.3984 6241.8239 301.4005 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: 6055.17, 0.00391668/step Wall: 6055.17, 0.00391668/step, 1.08536 hours remaining, 114.179688 MB of memory in use. ENERGY: 1502400 656.8311 1841.7487 1959.6184 105.9804 1.3822 -1103.7753 0.0000 0.0000 2759.8351 6221.6206 304.8315 3461.7855 6256.3705 300.2664 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: 6055.95, 0.00391867/step Wall: 6055.95, 0.00391867/step, 1.08569 hours remaining, 114.179688 MB of memory in use. ENERGY: 1502600 639.4323 1819.9503 1945.4743 106.1544 0.8471 -1046.4142 0.0000 0.0000 2715.5452 6180.9894 299.9395 3465.4442 6213.1288 299.4224 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: 6056.74, 0.00391716/step Wall: 6056.74, 0.00391716/step, 1.08505 hours remaining, 114.179688 MB of memory in use. ENERGY: 1502800 605.2812 1869.6632 1967.5871 102.8040 0.9483 -1084.8083 0.0000 0.0000 2709.3795 6170.8550 299.2585 3461.4755 6205.2273 298.5530 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: 6057.52, 0.00391617/step Wall: 6057.52, 0.00391617/step, 1.08456 hours remaining, 114.179688 MB of memory in use. ENERGY: 1503000 631.6337 1797.5915 1960.1134 107.8703 0.4891 -1056.2889 0.0000 0.0000 2703.6039 6145.0130 298.6206 3441.4091 6178.6125 296.5582 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: 6058.3, 0.00391147/step Wall: 6058.3, 0.00391147/step, 1.08304 hours remaining, 114.179688 MB of memory in use. ENERGY: 1503200 672.4112 1785.5534 1965.4149 100.5465 2.1121 -1094.0140 0.0000 0.0000 2688.1897 6120.2138 296.9180 3432.0240 6153.6523 295.1098 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: 6059.08, 0.00391819/step Wall: 6059.08, 0.00391819/step, 1.08468 hours remaining, 114.179688 MB of memory in use. ENERGY: 1503400 627.8183 1818.1348 1982.5952 109.8319 1.5127 -1050.9986 0.0000 0.0000 2710.2130 6199.1074 299.3506 3488.8944 6231.5870 296.8133 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: 6059.87, 0.00391909/step Wall: 6059.87, 0.00391909/step, 1.08472 hours remaining, 114.179688 MB of memory in use. ENERGY: 1503600 651.4298 1840.1079 1955.7055 101.1377 -0.0596 -1071.1553 0.0000 0.0000 2687.9126 6165.0785 296.8874 3477.1659 6199.4922 298.4879 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: 6060.65, 0.00391719/step Wall: 6060.65, 0.00391719/step, 1.08397 hours remaining, 114.179688 MB of memory in use. ENERGY: 1503800 629.9378 1837.1513 1953.1584 104.2966 0.9313 -1059.8834 0.0000 0.0000 2733.7596 6199.3517 301.9514 3465.5921 6231.7155 297.2643 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: 6061.44, 0.00391793/step Wall: 6061.44, 0.00391793/step, 1.08396 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: 1504000 659.3583 1808.9338 1998.7740 108.3557 -0.1611 -1084.6187 0.0000 0.0000 2713.6026 6204.2447 299.7250 3490.6421 6240.2393 299.2116 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: 6062.22, 0.00391055/step Wall: 6062.22, 0.00391055/step, 1.0817 hours remaining, 114.179688 MB of memory in use. ENERGY: 1504200 641.6319 1841.3326 1979.7652 107.7567 2.3103 -1086.8363 0.0000 0.0000 2720.5704 6206.5308 300.4946 3485.9604 6238.3214 298.6563 LDB: ============= START OF LOAD BALANCING ============== 6064.92 LDB: ============== END OF LOAD BALANCING =============== 6064.92 LDB: =============== DONE WITH MIGRATION ================ 6064.92 LDB: ============= START OF LOAD BALANCING ============== 6065.31 LDB: ============== END OF LOAD BALANCING =============== 6065.31 LDB: =============== DONE WITH MIGRATION ================ 6065.31 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: 6063, 0.00392321/step Wall: 6063, 0.00392321/step, 1.08499 hours remaining, 114.179688 MB of memory in use. ENERGY: 1504400 647.0673 1845.9040 1972.4908 97.6208 1.2704 -1087.0907 0.0000 0.0000 2650.9424 6128.2050 292.8040 3477.2627 6159.7146 298.4170 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: 6063.79, 0.00392072/step Wall: 6063.79, 0.00392072/step, 1.08408 hours remaining, 114.179688 MB of memory in use. ENERGY: 1504600 643.9741 1858.4578 1927.2642 105.2044 0.9370 -1069.8733 0.0000 0.0000 2702.7270 6168.6913 298.5237 3465.9643 6198.9998 296.0799 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: 6064.57, 0.00392125/step Wall: 6064.57, 0.00392125/step, 1.08401 hours remaining, 114.179688 MB of memory in use. ENERGY: 1504800 651.9947 1830.1909 1955.7696 110.9526 1.2668 -1088.5188 0.0000 0.0000 2658.8271 6120.4828 293.6749 3461.6557 6152.2747 295.6345 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: 6065.35, 0.00391415/step Wall: 6065.35, 0.00391415/step, 1.08183 hours remaining, 114.179688 MB of memory in use. ENERGY: 1505000 666.5173 1870.2930 1941.3177 106.4809 1.0217 -1104.0219 0.0000 0.0000 2646.4670 6128.0756 292.3096 3481.6087 6160.5784 294.8458 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: 6066.14, 0.00391916/step Wall: 6066.14, 0.00391916/step, 1.08299 hours remaining, 114.179688 MB of memory in use. ENERGY: 1505200 628.1848 1791.3531 1945.1174 105.3359 0.2857 -1075.5494 0.0000 0.0000 2706.9737 6101.7011 298.9928 3394.7274 6131.9272 294.9038 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: 6066.92, 0.00392046/step Wall: 6066.92, 0.00392046/step, 1.08314 hours remaining, 114.179688 MB of memory in use. ENERGY: 1505400 684.6602 1764.8060 1936.6794 103.7216 0.5688 -1045.9534 0.0000 0.0000 2683.2131 6127.6956 296.3684 3444.4826 6159.5121 294.5302 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: 6067.7, 0.00391851/step Wall: 6067.7, 0.00391851/step, 1.08238 hours remaining, 114.179688 MB of memory in use. ENERGY: 1505600 671.4844 1822.2801 1976.8973 101.3347 0.5956 -1088.4507 0.0000 0.0000 2660.2912 6144.4327 293.8366 3484.1414 6176.3747 295.9802 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: 6068.49, 0.00393626/step Wall: 6068.49, 0.00393626/step, 1.08707 hours remaining, 114.179688 MB of memory in use. ENERGY: 1505800 663.8043 1864.0672 1950.1321 112.2468 -0.0963 -1088.4355 0.0000 0.0000 2685.6938 6187.4124 296.6424 3501.7185 6221.2920 298.6275 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: 6069.28, 0.00391435/step Wall: 6069.28, 0.00391435/step, 1.0808 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: 1506000 631.0495 1905.6784 1955.6010 117.0055 -0.0254 -1119.8746 0.0000 0.0000 2748.6499 6238.0844 303.5960 3489.4345 6272.5059 300.3271 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: 6070.06, 0.00392218/step Wall: 6070.06, 0.00392218/step, 1.08274 hours remaining, 114.179688 MB of memory in use. ENERGY: 1506200 642.0807 1831.3635 1951.6495 106.1741 1.4585 -1054.6018 0.0000 0.0000 2734.9942 6213.1187 302.0877 3478.1245 6244.3915 301.3415 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: 6070.84, 0.00391973/step Wall: 6070.84, 0.00391973/step, 1.08185 hours remaining, 114.179688 MB of memory in use. ENERGY: 1506400 671.0014 1822.7745 1970.0806 110.3538 1.5073 -1104.2955 0.0000 0.0000 2759.6492 6231.0713 304.8109 3471.4221 6264.8711 300.6003 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: 6071.63, 0.00391976/step Wall: 6071.63, 0.00391976/step, 1.08163 hours remaining, 114.179688 MB of memory in use. ENERGY: 1506600 621.7932 1813.4621 1947.2277 101.2650 3.3625 -1050.9763 0.0000 0.0000 2728.3182 6164.4524 301.3503 3436.1342 6199.6494 300.0233 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: 6072.41, 0.0039133/step Wall: 6072.41, 0.0039133/step, 1.07964 hours remaining, 114.179688 MB of memory in use. ENERGY: 1506800 639.2844 1861.7962 1926.2773 111.2337 1.4412 -1048.3142 0.0000 0.0000 2703.0659 6194.7845 298.5612 3491.7186 6228.4918 298.6586 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: 6073.19, 0.00391879/step Wall: 6073.19, 0.00391879/step, 1.08093 hours remaining, 114.179688 MB of memory in use. ENERGY: 1507000 643.7966 1848.8045 1951.5979 100.1159 1.5068 -1061.6206 0.0000 0.0000 2746.2597 6230.4607 303.3320 3484.2010 6261.8351 299.4939 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: 6073.98, 0.00392014/step Wall: 6073.98, 0.00392014/step, 1.08109 hours remaining, 114.179688 MB of memory in use. ENERGY: 1507200 659.4080 1877.0108 1951.4486 109.3841 2.6836 -1058.8648 0.0000 0.0000 2704.8790 6245.9494 298.7614 3541.0703 6275.8684 301.0667 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: 6074.76, 0.00392067/step Wall: 6074.76, 0.00392067/step, 1.08102 hours remaining, 114.179688 MB of memory in use. ENERGY: 1507400 674.9581 1800.3915 1961.5898 113.0806 1.6732 -1070.6665 0.0000 0.0000 2698.0834 6179.1101 298.0108 3481.0267 6213.1228 300.5853 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: 6075.55, 0.0039175/step Wall: 6075.55, 0.0039175/step, 1.07992 hours remaining, 114.179688 MB of memory in use. ENERGY: 1507600 669.9373 1857.9954 1947.5500 98.7302 0.9762 -1081.7337 0.0000 0.0000 2698.1778 6191.6332 298.0213 3493.4554 6225.0582 299.2221 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: 6076.33, 0.00391232/step Wall: 6076.33, 0.00391232/step, 1.07828 hours remaining, 114.179688 MB of memory in use. ENERGY: 1507800 648.5084 1859.6180 1964.5079 95.2518 0.8943 -1111.6192 0.0000 0.0000 2668.4931 6125.6543 294.7425 3457.1613 6160.6792 297.9593 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: 6077.11, 0.00391813/step Wall: 6077.11, 0.00391813/step, 1.07966 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: 1508000 656.2880 1830.2348 1978.4600 101.8201 1.3162 -1065.0007 0.0000 0.0000 2691.5874 6194.7058 297.2933 3503.1184 6227.3434 298.9601 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: 6077.9, 0.00392519/step Wall: 6077.9, 0.00392519/step, 1.08139 hours remaining, 114.187500 MB of memory in use. ENERGY: 1508200 660.1336 1811.5324 1997.9130 100.1670 1.4710 -1095.4642 0.0000 0.0000 2757.8755 6233.6284 304.6150 3475.7529 6267.7834 298.9507 LDB: ============= START OF LOAD BALANCING ============== 6080.6 LDB: ============== END OF LOAD BALANCING =============== 6080.6 LDB: =============== DONE WITH MIGRATION ================ 6080.6 LDB: ============= START OF LOAD BALANCING ============== 6080.99 LDB: ============== END OF LOAD BALANCING =============== 6080.99 LDB: =============== DONE WITH MIGRATION ================ 6080.99 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: 6078.68, 0.00392329/step Wall: 6078.68, 0.00392329/step, 1.08065 hours remaining, 114.187500 MB of memory in use. ENERGY: 1508400 650.8970 1811.8370 1954.3821 120.1525 1.6315 -1072.3935 0.0000 0.0000 2734.8654 6201.3720 302.0735 3466.5066 6236.4715 299.1899 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: 6079.46, 0.00391384/step Wall: 6079.46, 0.00391383/step, 1.07783 hours remaining, 114.187500 MB of memory in use. ENERGY: 1508600 670.1624 1875.4369 1962.1156 101.7165 1.1595 -1081.4673 0.0000 0.0000 2698.6621 6227.7858 298.0747 3529.1237 6262.9504 300.9771 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: 6080.25, 0.0039143/step Wall: 6080.25, 0.00391431/step, 1.07774 hours remaining, 114.187500 MB of memory in use. ENERGY: 1508800 641.9619 1851.5929 1987.8868 106.7425 1.1060 -1041.6895 0.0000 0.0000 2772.4071 6320.0077 306.2201 3547.6006 6354.1432 303.1456 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: 6081.03, 0.00391766/step Wall: 6081.03, 0.00391766/step, 1.07844 hours remaining, 114.187500 MB of memory in use. ENERGY: 1509000 656.7525 1873.9059 1965.7462 118.3601 1.6138 -1075.4363 0.0000 0.0000 2771.0365 6311.9787 306.0687 3540.9422 6342.7677 303.7386 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: 6081.81, 0.00391657/step Wall: 6081.81, 0.00391657/step, 1.07793 hours remaining, 114.187500 MB of memory in use. ENERGY: 1509200 630.9658 1855.7300 1975.4336 109.0962 2.3004 -1041.4683 0.0000 0.0000 2765.9780 6298.0357 305.5100 3532.0577 6329.6989 304.7133 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: 6082.6, 0.00391796/step Wall: 6082.6, 0.00391796/step, 1.07809 hours remaining, 114.187500 MB of memory in use. ENERGY: 1509400 636.3042 1899.8276 1976.4820 99.1367 1.8415 -1043.6016 0.0000 0.0000 2688.0583 6258.0488 296.9035 3569.9905 6289.5563 302.0362 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: 6083.38, 0.00391041/step Wall: 6083.38, 0.00391041/step, 1.0758 hours remaining, 114.187500 MB of memory in use. ENERGY: 1509600 645.9338 1841.5747 1940.4737 108.3011 2.0501 -1106.2804 0.0000 0.0000 2774.5232 6206.5762 306.4538 3432.0530 6241.7474 300.3418 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: 6084.16, 0.00391645/step Wall: 6084.16, 0.00391645/step, 1.07724 hours remaining, 114.187500 MB of memory in use. ENERGY: 1509800 663.3269 1866.1519 1950.2436 112.1019 0.9621 -1081.0296 0.0000 0.0000 2698.4147 6210.1715 298.0474 3511.7567 6242.2778 300.9674 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: 6084.95, 0.00391891/step Wall: 6084.95, 0.00391891/step, 1.0777 hours remaining, 114.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1510000 687.7564 1814.7562 1932.1416 98.1867 1.7843 -1077.1250 0.0000 0.0000 2673.5176 6131.0178 295.2975 3457.5002 6165.0461 297.9701 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1510000 WRITING COORDINATES TO DCD FILE MD.1.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: 6088.89, 0.0197205/step Wall: 6088.89, 0.0197205/step, 5.42203 hours remaining, 114.187500 MB of memory in use. ENERGY: 1510200 627.7447 1888.1400 1940.9370 99.7492 2.1810 -1096.3188 0.0000 0.0000 2659.0191 6121.4522 293.6961 3462.4331 6153.5104 295.7748 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: 6089.67, 0.00391718/step Wall: 6089.67, 0.00391718/step, 1.07679 hours remaining, 114.187500 MB of memory in use. ENERGY: 1510400 649.0610 1852.8207 1939.9381 99.1290 2.1024 -1085.8116 0.0000 0.0000 2687.5163 6144.7560 296.8437 3457.2397 6175.9352 297.9451 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: 6090.46, 0.00391314/step Wall: 6090.46, 0.00391314/step, 1.07546 hours remaining, 114.187500 MB of memory in use. ENERGY: 1510600 640.4864 1895.4783 1921.3987 115.2946 1.2335 -1104.6150 0.0000 0.0000 2641.6451 6110.9216 291.7771 3469.2766 6138.8842 296.6345 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: 6091.24, 0.00391716/step Wall: 6091.24, 0.00391716/step, 1.07635 hours remaining, 114.187500 MB of memory in use. ENERGY: 1510800 669.2686 1822.9654 1952.2362 115.1301 2.4093 -1081.8524 0.0000 0.0000 2739.1891 6219.3463 302.5511 3480.1572 6253.8320 299.7243 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: 6092.02, 0.00391742/step Wall: 6092.02, 0.00391742/step, 1.0762 hours remaining, 114.187500 MB of memory in use. ENERGY: 1511000 694.5927 1834.7067 1961.8434 122.1505 0.9933 -1111.2029 0.0000 0.0000 2721.9767 6225.0604 300.6499 3503.0837 6256.2913 301.3135 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: 6092.81, 0.00391814/step Wall: 6092.81, 0.00391814/step, 1.07618 hours remaining, 114.187500 MB of memory in use. ENERGY: 1511200 636.5969 1864.5922 1971.5019 104.3379 0.6753 -1079.5802 0.0000 0.0000 2710.8128 6208.9367 299.4168 3498.1238 6241.3440 301.3361 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: 6093.59, 0.0039175/step Wall: 6093.59, 0.0039175/step, 1.07579 hours remaining, 114.187500 MB of memory in use. ENERGY: 1511400 639.6320 1866.0258 1964.9056 99.3149 1.0605 -1059.5784 0.0000 0.0000 2673.8904 6185.2507 295.3386 3511.3603 6215.0127 300.2243 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: 6094.37, 0.00391242/step Wall: 6094.37, 0.00391242/step, 1.07418 hours remaining, 114.187500 MB of memory in use. ENERGY: 1511600 651.8760 1848.0856 1969.1938 114.6140 1.3215 -1086.1120 0.0000 0.0000 2708.2962 6207.2751 299.1389 3498.9789 6242.6258 299.5156 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: 6095.16, 0.00391767/step Wall: 6095.16, 0.00391767/step, 1.0754 hours remaining, 114.187500 MB of memory in use. ENERGY: 1511800 682.1278 1874.8377 1952.1625 104.1965 1.6702 -1093.7972 0.0000 0.0000 2743.8155 6265.0129 303.0621 3521.1975 6296.6150 302.3593 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: 6095.94, 0.00391818/step Wall: 6095.94, 0.00391818/step, 1.07532 hours remaining, 114.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1512000 648.8766 1840.7677 1960.9313 124.6419 3.3842 -1077.2722 0.0000 0.0000 2686.7723 6188.1018 296.7615 3501.3295 6222.5807 301.3027 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: 6096.72, 0.0039206/step Wall: 6096.72, 0.0039206/step, 1.07577 hours remaining, 114.187500 MB of memory in use. ENERGY: 1512200 671.5367 1868.2809 1955.4041 101.0154 2.2242 -1071.5858 0.0000 0.0000 2666.3671 6193.2426 294.5077 3526.8756 6223.4642 298.3426 LDB: ============= START OF LOAD BALANCING ============== 6099.42 LDB: ============== END OF LOAD BALANCING =============== 6099.42 LDB: =============== DONE WITH MIGRATION ================ 6099.42 LDB: ============= START OF LOAD BALANCING ============== 6099.82 LDB: ============== END OF LOAD BALANCING =============== 6099.82 LDB: =============== DONE WITH MIGRATION ================ 6099.82 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: 6097.51, 0.00392547/step Wall: 6097.51, 0.00392547/step, 1.07689 hours remaining, 114.187500 MB of memory in use. ENERGY: 1512400 616.9267 1756.2940 1981.0727 105.3896 2.5670 -1079.9468 0.0000 0.0000 2772.8520 6155.1551 306.2692 3382.3030 6191.1396 298.7136 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: 6098.29, 0.00391559/step Wall: 6098.29, 0.00391559/step, 1.07396 hours remaining, 114.187500 MB of memory in use. ENERGY: 1512600 677.0253 1862.9086 1948.1256 115.0219 2.1791 -1073.0764 0.0000 0.0000 2664.2563 6196.4403 294.2745 3532.1840 6229.7972 300.5443 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: 6099.08, 0.00392024/step Wall: 6099.08, 0.00392024/step, 1.07502 hours remaining, 114.187500 MB of memory in use. ENERGY: 1512800 677.3227 1784.7750 1948.7150 106.4522 0.7246 -1075.4161 0.0000 0.0000 2741.9168 6184.4904 302.8523 3442.5736 6217.1552 299.6667 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: 6099.86, 0.00392165/step Wall: 6099.86, 0.00392165/step, 1.07519 hours remaining, 114.187500 MB of memory in use. ENERGY: 1513000 654.6555 1838.7527 1944.0549 109.3862 1.8299 -1071.2831 0.0000 0.0000 2711.1900 6188.5861 299.4585 3477.3961 6221.0278 300.2125 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: 6100.65, 0.00392081/step Wall: 6100.65, 0.00392081/step, 1.07474 hours remaining, 114.187500 MB of memory in use. ENERGY: 1513200 643.4997 1848.5574 1943.0147 109.7816 1.2486 -1080.8267 0.0000 0.0000 2711.0504 6176.3257 299.4431 3465.2753 6207.4570 299.4041 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: 6101.43, 0.00391469/step Wall: 6101.43, 0.00391469/step, 1.07284 hours remaining, 114.187500 MB of memory in use. ENERGY: 1513400 676.3662 1812.3010 1953.3786 110.2552 1.2273 -1084.8290 0.0000 0.0000 2705.6031 6174.3024 298.8414 3468.6993 6206.5799 297.9781 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: 6102.21, 0.00391818/step Wall: 6102.21, 0.00391818/step, 1.07358 hours remaining, 114.187500 MB of memory in use. ENERGY: 1513600 708.7742 1784.1748 1970.2302 106.6633 1.1686 -1087.3560 0.0000 0.0000 2726.9444 6210.5996 301.1986 3483.6552 6241.9909 299.8678 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: 6103, 0.00392054/step Wall: 6103, 0.00392054/step, 1.07401 hours remaining, 114.187500 MB of memory in use. ENERGY: 1513800 650.3762 1849.8065 1962.7329 102.6286 0.6905 -1078.8813 0.0000 0.0000 2677.5351 6164.8884 295.7412 3487.3534 6199.2247 301.4727 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: 6103.78, 0.00391862/step Wall: 6103.78, 0.00391862/step, 1.07327 hours remaining, 114.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1514000 669.9639 1819.7012 1930.4211 102.4100 1.3075 -1071.5817 0.0000 0.0000 2695.4782 6147.7000 297.7231 3452.2219 6178.8985 297.7163 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: 6104.56, 0.00391819/step Wall: 6104.56, 0.00391819/step, 1.07293 hours remaining, 114.187500 MB of memory in use. ENERGY: 1514200 673.0145 1833.6576 1921.1258 108.5229 1.1474 -1078.1844 0.0000 0.0000 2700.2895 6159.5732 298.2545 3459.2837 6194.2128 295.3459 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: 6105.35, 0.0039125/step Wall: 6105.35, 0.00391249/step, 1.07115 hours remaining, 114.187500 MB of memory in use. ENERGY: 1514400 653.2089 1843.8057 1929.0398 108.7780 1.2339 -1050.1251 0.0000 0.0000 2678.0314 6163.9727 295.7960 3485.9413 6197.9306 298.3384 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: 6106.13, 0.00391895/step Wall: 6106.13, 0.00391896/step, 1.07271 hours remaining, 114.187500 MB of memory in use. ENERGY: 1514600 617.4026 1851.5235 1909.6382 113.4160 1.8564 -1067.1635 0.0000 0.0000 2711.4709 6138.1442 299.4895 3426.6732 6170.0022 295.9757 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: 6106.91, 0.00391832/step Wall: 6106.91, 0.00391832/step, 1.07231 hours remaining, 114.187500 MB of memory in use. ENERGY: 1514800 648.4023 1806.3963 1951.0073 103.4754 1.3004 -1094.5879 0.0000 0.0000 2701.4642 6117.4579 298.3842 3415.9937 6151.3060 295.5567 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: 6107.7, 0.0039164/step Wall: 6107.7, 0.0039164/step, 1.07157 hours remaining, 114.187500 MB of memory in use. ENERGY: 1515000 641.5662 1865.5535 1955.8393 113.0224 1.9420 -1113.5498 0.0000 0.0000 2739.2263 6203.5999 302.5552 3464.3736 6235.8994 298.8080 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: 6108.48, 0.00391317/step Wall: 6108.48, 0.00391317/step, 1.07047 hours remaining, 114.187500 MB of memory in use. ENERGY: 1515200 649.9351 1820.1474 1952.7321 112.7193 2.2474 -1069.6591 0.0000 0.0000 2709.0162 6177.1385 299.2184 3468.1223 6211.8735 301.4377 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: 6109.26, 0.00391787/step Wall: 6109.26, 0.00391787/step, 1.07154 hours remaining, 114.187500 MB of memory in use. ENERGY: 1515400 642.7483 1862.4132 1980.8875 107.3072 0.9015 -1108.5486 0.0000 0.0000 2740.0858 6225.7948 302.6501 3485.7090 6259.5055 299.8791 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: 6110.05, 0.00391818/step Wall: 6110.05, 0.00391818/step, 1.0714 hours remaining, 114.187500 MB of memory in use. ENERGY: 1515600 658.0723 1930.2615 1958.8150 90.5924 1.6149 -1121.2734 0.0000 0.0000 2745.7611 6263.8437 303.2770 3518.0827 6297.3042 302.8744 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: 6110.83, 0.00391825/step Wall: 6110.83, 0.00391825/step, 1.07121 hours remaining, 114.187500 MB of memory in use. ENERGY: 1515800 662.4677 1886.1029 1959.8172 97.9548 2.0566 -1102.3663 0.0000 0.0000 2728.2728 6234.3057 301.3453 3506.0329 6266.4274 304.8843 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: 6111.61, 0.00391842/step Wall: 6111.61, 0.00391842/step, 1.07103 hours remaining, 114.187500 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1516000 667.0021 1854.3205 1999.1079 112.8475 1.8355 -1075.3478 0.0000 0.0000 2721.9837 6281.7494 300.6507 3559.7657 6315.9243 301.9368 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: 6112.4, 0.0039123/step Wall: 6112.4, 0.0039123/step, 1.06914 hours remaining, 114.187500 MB of memory in use. ENERGY: 1516200 646.1275 1844.7224 1951.4203 113.8380 0.6470 -1080.8385 0.0000 0.0000 2816.7802 6292.6968 311.1212 3475.9166 6327.7134 306.1849 LDB: ============= START OF LOAD BALANCING ============== 6115.1 LDB: ============== END OF LOAD BALANCING =============== 6115.1 LDB: =============== DONE WITH MIGRATION ================ 6115.1 LDB: ============= START OF LOAD BALANCING ============== 6115.49 LDB: ============== END OF LOAD BALANCING =============== 6115.49 LDB: =============== DONE WITH MIGRATION ================ 6115.49 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: 6113.18, 0.00392104/step Wall: 6113.18, 0.00392104/step, 1.07131 hours remaining, 114.187500 MB of memory in use. ENERGY: 1516400 644.6196 1869.3010 1965.1337 102.1921 1.1007 -1051.1307 0.0000 0.0000 2731.0906 6262.3069 301.6566 3531.2164 6299.0007 304.6105 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: 6113.96, 0.00391706/step Wall: 6113.96, 0.00391706/step, 1.07001 hours remaining, 114.187500 MB of memory in use. ENERGY: 1516600 628.3732 1878.2484 1963.9872 108.1918 0.9490 -1068.0467 0.0000 0.0000 2775.7522 6287.4552 306.5896 3511.7029 6321.8364 303.6411 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: 6114.75, 0.00391619/step Wall: 6114.75, 0.00391619/step, 1.06955 hours remaining, 114.187500 MB of memory in use. ENERGY: 1516800 664.7657 1927.1915 1925.4325 116.1091 0.9571 -1076.1438 0.0000 0.0000 2720.9635 6279.2756 300.5380 3558.3121 6309.4717 303.9645 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: 6115.53, 0.00391524/step Wall: 6115.53, 0.00391524/step, 1.06908 hours remaining, 114.187500 MB of memory in use. ENERGY: 1517000 713.6965 1874.1887 1954.6191 111.9677 2.0018 -1077.4342 0.0000 0.0000 2736.6356 6315.6751 302.2690 3579.0396 6348.9126 303.4039 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: 6116.31, 0.00391298/step Wall: 6116.31, 0.00391298/step, 1.06824 hours remaining, 114.187500 MB of memory in use. ENERGY: 1517200 654.1863 1880.1121 1959.0951 119.7823 3.0997 -1071.4964 0.0000 0.0000 2748.8338 6293.6129 303.6163 3544.7791 6327.7253 305.1792 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: 6117.1, 0.00391616/step Wall: 6117.1, 0.00391616/step, 1.06889 hours remaining, 114.187500 MB of memory in use. ENERGY: 1517400 639.8022 1914.9276 1939.1470 106.5044 2.1117 -1060.5189 0.0000 0.0000 2755.1409 6297.1149 304.3130 3541.9740 6332.0514 306.0690 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: 6117.88, 0.00392219/step Wall: 6117.88, 0.00392219/step, 1.07032 hours remaining, 114.187500 MB of memory in use. ENERGY: 1517600 661.7760 1847.8859 1978.0808 111.2776 1.1343 -1071.9367 0.0000 0.0000 2767.8391 6296.0570 305.7155 3528.2180 6333.7070 305.4116 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: 6118.66, 0.00392006/step Wall: 6118.66, 0.00392006/step, 1.06952 hours remaining, 114.187500 MB of memory in use. ENERGY: 1517800 711.1440 1871.7494 1958.2745 104.3250 1.7410 -1116.7244 0.0000 0.0000 2753.3257 6283.8351 304.1125 3530.5095 6318.4602 305.7474 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: 6119.45, 0.00391226/step Wall: 6119.45, 0.00391226/step, 1.06718 hours remaining, 114.191406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1518000 676.3375 1838.5480 1952.3387 124.1836 2.8362 -1072.3087 0.0000 0.0000 2689.2650 6211.2002 297.0368 3521.9353 6245.2535 301.6445 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: 6120.23, 0.00391721/step Wall: 6120.23, 0.00391721/step, 1.06831 hours remaining, 114.191406 MB of memory in use. ENERGY: 1518200 651.9015 1862.3151 1965.1472 119.7048 1.6937 -1102.4996 0.0000 0.0000 2709.5800 6207.8427 299.2807 3498.2627 6239.8834 300.0235 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: 6121.01, 0.00391918/step Wall: 6121.01, 0.00391918/step, 1.06863 hours remaining, 114.191406 MB of memory in use. ENERGY: 1518400 662.2970 1791.9011 1984.9351 129.9007 2.4813 -1075.6024 0.0000 0.0000 2751.8199 6247.7327 303.9462 3495.9128 6282.0983 301.2756 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: 6121.8, 0.00391851/step Wall: 6121.8, 0.00391851/step, 1.06823 hours remaining, 114.191406 MB of memory in use. ENERGY: 1518600 670.6503 1826.2405 1966.1851 109.0782 1.2868 -1095.1506 0.0000 0.0000 2710.0304 6188.3207 299.3304 3478.2903 6222.7781 301.7646 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: 6122.58, 0.00391813/step Wall: 6122.58, 0.00391813/step, 1.06791 hours remaining, 114.191406 MB of memory in use. ENERGY: 1518800 630.8560 1893.9352 1947.5390 105.4482 3.0095 -1132.3965 0.0000 0.0000 2704.4687 6152.8601 298.7161 3448.3914 6186.9926 297.0051 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: 6123.36, 0.00391302/step Wall: 6123.36, 0.00391302/step, 1.0663 hours remaining, 114.191406 MB of memory in use. ENERGY: 1519000 670.6068 1820.7230 1961.1428 99.6330 2.8504 -1100.0001 0.0000 0.0000 2649.5694 6104.5253 292.6523 3454.9559 6135.5095 296.2718 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: 6124.15, 0.00391714/step Wall: 6124.15, 0.00391714/step, 1.0672 hours remaining, 114.191406 MB of memory in use. ENERGY: 1519200 687.4410 1826.2665 1930.7840 122.8882 3.0280 -1134.3562 0.0000 0.0000 2721.7284 6157.7798 300.6225 3436.0514 6190.8766 295.5546 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: 6124.93, 0.00391913/step Wall: 6124.93, 0.00391913/step, 1.06753 hours remaining, 114.191406 MB of memory in use. ENERGY: 1519400 644.0006 1852.9004 1972.8825 103.9240 2.3235 -1096.2347 0.0000 0.0000 2742.8059 6222.6022 302.9506 3479.7962 6258.1290 299.8825 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: 6125.71, 0.00391866/step Wall: 6125.71, 0.00391866/step, 1.06718 hours remaining, 114.191406 MB of memory in use. ENERGY: 1519600 652.0652 1835.8554 1959.8123 108.5973 0.8496 -1130.7598 0.0000 0.0000 2790.9054 6217.3255 308.2633 3426.4200 6252.3807 301.8179 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: 6126.5, 0.00391235/step Wall: 6126.5, 0.00391235/step, 1.06524 hours remaining, 114.195312 MB of memory in use. ENERGY: 1519800 664.7453 1921.9413 1977.8446 113.6854 1.1433 -1156.8974 0.0000 0.0000 2717.1148 6239.5773 300.1129 3522.4625 6271.1582 300.5095 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: 6127.28, 0.0039169/step Wall: 6127.28, 0.0039169/step, 1.06627 hours remaining, 114.195312 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1520000 663.1839 1859.0717 1964.9481 114.4210 1.9768 -1081.6072 0.0000 0.0000 2741.4191 6263.4134 302.7974 3521.9944 6294.8820 301.2317 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1520000 WRITING COORDINATES TO DCD FILE MD.1.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: 6128.1, 0.00409822/step Wall: 6128.1, 0.00409822/step, 1.1154 hours remaining, 114.195312 MB of memory in use. ENERGY: 1520200 638.6497 1859.7761 1965.3294 105.8128 1.5681 -1115.8633 0.0000 0.0000 2699.8527 6155.1255 298.2062 3455.2728 6189.8699 301.1955 LDB: ============= START OF LOAD BALANCING ============== 6130.8 LDB: ============== END OF LOAD BALANCING =============== 6130.8 LDB: =============== DONE WITH MIGRATION ================ 6130.8 LDB: ============= START OF LOAD BALANCING ============== 6131.19 LDB: ============== END OF LOAD BALANCING =============== 6131.19 LDB: =============== DONE WITH MIGRATION ================ 6131.2 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: 6128.89, 0.00392831/step Wall: 6128.89, 0.00392831/step, 1.06894 hours remaining, 114.195312 MB of memory in use. ENERGY: 1520400 645.6551 1867.7364 1965.7613 102.5692 0.8586 -1104.7571 0.0000 0.0000 2732.6089 6210.4323 301.8243 3477.8234 6241.1892 299.6498 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: 6129.67, 0.00392123/step Wall: 6129.67, 0.00392123/step, 1.06679 hours remaining, 114.195312 MB of memory in use. ENERGY: 1520600 660.3544 1841.8555 1993.4595 114.3215 0.3423 -1121.9608 0.0000 0.0000 2688.9706 6177.3431 297.0043 3488.3725 6210.0469 299.7813 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: 6130.45, 0.00391402/step Wall: 6130.45, 0.00391402/step, 1.06461 hours remaining, 114.195312 MB of memory in use. ENERGY: 1520800 641.8417 1833.0620 1940.6533 106.7604 1.6355 -1067.4062 0.0000 0.0000 2688.7431 6145.2896 296.9792 3456.5466 6179.7495 298.5700 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: 6131.24, 0.00391938/step Wall: 6131.24, 0.00391938/step, 1.06585 hours remaining, 114.195312 MB of memory in use. ENERGY: 1521000 633.2781 1905.3767 1933.2283 117.0371 1.5143 -1104.1556 0.0000 0.0000 2714.5910 6200.8699 299.8341 3486.2789 6232.7904 298.3208 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: 6132.02, 0.00392032/step Wall: 6132.02, 0.00392032/step, 1.06589 hours remaining, 114.195312 MB of memory in use. ENERGY: 1521200 647.3506 1849.1728 1956.6067 106.2846 0.4515 -1075.4505 0.0000 0.0000 2717.1438 6201.5596 300.1161 3484.4158 6234.3023 300.1705 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: 6132.81, 0.00392027/step Wall: 6132.81, 0.00392027/step, 1.06566 hours remaining, 114.195312 MB of memory in use. ENERGY: 1521400 635.8109 1895.8490 1985.7620 103.6815 2.2133 -1154.9066 0.0000 0.0000 2711.8479 6180.2579 299.5311 3468.4101 6215.3827 300.3916 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: 6133.59, 0.00391971/step Wall: 6133.59, 0.00391971/step, 1.06529 hours remaining, 114.199219 MB of memory in use. ENERGY: 1521600 657.9718 1839.9757 1928.1869 102.1335 0.5354 -1106.9604 0.0000 0.0000 2710.8131 6132.6560 299.4169 3421.8429 6169.3805 298.3772 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: 6134.37, 0.00391451/step Wall: 6134.37, 0.00391451/step, 1.06366 hours remaining, 114.199219 MB of memory in use. ENERGY: 1521800 624.4933 1854.8329 1956.6646 94.6228 2.0998 -1104.2130 0.0000 0.0000 2722.1532 6150.6535 300.6694 3428.5004 6183.3735 296.5817 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: 6135.16, 0.00391845/step Wall: 6135.16, 0.00391845/step, 1.06451 hours remaining, 114.199219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1522000 659.2566 1866.2223 1938.2816 99.2887 0.9640 -1100.1914 0.0000 0.0000 2690.2709 6154.0926 297.1479 3463.8217 6187.0069 297.4314 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: 6135.94, 0.00392007/step Wall: 6135.94, 0.00392007/step, 1.06473 hours remaining, 114.199219 MB of memory in use. ENERGY: 1522200 633.6202 1807.5276 1969.8437 105.2664 2.8202 -1119.3923 0.0000 0.0000 2716.2741 6115.9599 300.0200 3399.6858 6149.4297 297.4094 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: 6136.72, 0.00391968/step Wall: 6136.72, 0.00391968/step, 1.06441 hours remaining, 114.199219 MB of memory in use. ENERGY: 1522400 633.9084 1832.8159 1936.2437 109.7644 1.4768 -1080.8995 0.0000 0.0000 2662.0250 6095.3347 294.0281 3433.3097 6129.8466 296.7134 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: 6137.51, 0.00391242/step Wall: 6137.51, 0.00391242/step, 1.06222 hours remaining, 114.199219 MB of memory in use. ENERGY: 1522600 646.3328 1840.8504 1944.5741 105.0149 1.0766 -1120.0086 0.0000 0.0000 2658.7457 6076.5859 293.6659 3417.8402 6107.4970 294.6742 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: 6138.29, 0.00392223/step Wall: 6138.29, 0.00392223/step, 1.06467 hours remaining, 114.199219 MB of memory in use. ENERGY: 1522800 689.9964 1865.9486 1955.7831 110.4909 1.9144 -1120.7652 0.0000 0.0000 2623.5190 6126.8873 289.7750 3503.3682 6160.0313 294.4889 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: 6139.07, 0.00392061/step Wall: 6139.07, 0.00392061/step, 1.06401 hours remaining, 114.199219 MB of memory in use. ENERGY: 1523000 638.5355 1870.3093 1957.6368 117.8554 1.4987 -1116.3028 0.0000 0.0000 2718.6784 6188.2112 300.2856 3469.5328 6222.0980 298.6805 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: 6139.86, 0.0039208/step Wall: 6139.86, 0.0039208/step, 1.06384 hours remaining, 114.207031 MB of memory in use. ENERGY: 1523200 661.5032 1870.3644 1965.4577 110.1664 0.9277 -1133.7900 0.0000 0.0000 2748.6882 6223.3176 303.6003 3474.6294 6259.3564 301.7202 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: 6140.64, 0.00392035/step Wall: 6140.64, 0.00392035/step, 1.0635 hours remaining, 114.207031 MB of memory in use. ENERGY: 1523400 667.5355 1899.5877 1944.1197 107.6934 2.7081 -1099.4472 0.0000 0.0000 2673.0996 6195.2968 295.2513 3522.1972 6225.0981 301.7100 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: 6141.43, 0.00391316/step Wall: 6141.43, 0.00391316/step, 1.06134 hours remaining, 114.207031 MB of memory in use. ENERGY: 1523600 683.0064 1875.2891 1949.8608 106.5037 1.2502 -1090.8243 0.0000 0.0000 2698.0242 6223.1101 298.0043 3525.0859 6253.9334 299.9263 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: 6142.21, 0.00391895/step Wall: 6142.21, 0.00391895/step, 1.06269 hours remaining, 114.207031 MB of memory in use. ENERGY: 1523800 640.7774 1866.0518 1954.1765 111.9413 1.5275 -1085.4289 0.0000 0.0000 2735.8027 6224.8483 302.1770 3489.0457 6258.1479 300.9328 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: 6142.99, 0.00391827/step Wall: 6142.99, 0.00391827/step, 1.06229 hours remaining, 114.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1524000 634.8218 1845.2951 1987.2040 110.4087 2.7361 -1026.2923 0.0000 0.0000 2647.9672 6202.1406 292.4754 3554.1734 6231.2542 298.9341 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: 6143.78, 0.00391886/step Wall: 6143.78, 0.00391886/step, 1.06223 hours remaining, 114.207031 MB of memory in use. ENERGY: 1524200 620.0089 1831.3606 1976.0595 104.1383 1.5456 -1051.5321 0.0000 0.0000 2661.3688 6142.9496 293.9556 3481.5808 6172.4204 297.5124 LDB: ============= START OF LOAD BALANCING ============== 6146.48 LDB: ============== END OF LOAD BALANCING =============== 6146.48 LDB: =============== DONE WITH MIGRATION ================ 6146.48 LDB: ============= START OF LOAD BALANCING ============== 6146.87 LDB: ============== END OF LOAD BALANCING =============== 6146.87 LDB: =============== DONE WITH MIGRATION ================ 6146.87 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: 6144.56, 0.00391629/step Wall: 6144.56, 0.00391629/step, 1.06131 hours remaining, 114.207031 MB of memory in use. ENERGY: 1524400 631.2848 1817.3921 1991.1410 100.6139 2.1625 -1102.6026 0.0000 0.0000 2689.5411 6129.5327 297.0673 3439.9916 6164.3960 297.3677 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: 6145.34, 0.00391806/step Wall: 6145.34, 0.00391806/step, 1.06158 hours remaining, 114.207031 MB of memory in use. ENERGY: 1524600 658.5723 1861.1773 1930.5266 114.3421 1.2498 -1077.8903 0.0000 0.0000 2726.1165 6214.0943 301.1072 3487.9778 6247.3223 299.1441 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: 6146.13, 0.00391598/step Wall: 6146.13, 0.00391598/step, 1.06079 hours remaining, 114.207031 MB of memory in use. ENERGY: 1524800 651.0184 1847.1061 1934.2166 110.0568 1.0810 -1037.8086 0.0000 0.0000 2720.4367 6226.1071 300.4798 3505.6704 6256.5015 302.0727 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: 6146.91, 0.00391843/step Wall: 6146.91, 0.00391843/step, 1.06124 hours remaining, 114.207031 MB of memory in use. ENERGY: 1525000 650.5326 1847.2777 1978.6646 111.5366 1.7972 -1101.5352 0.0000 0.0000 2764.6733 6252.9467 305.3659 3488.2735 6285.1252 302.5850 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: 6147.69, 0.00391647/step Wall: 6147.69, 0.00391647/step, 1.06049 hours remaining, 114.207031 MB of memory in use. ENERGY: 1525200 671.2305 1840.4912 1938.1399 116.6256 1.4323 -1111.6736 0.0000 0.0000 2712.4061 6168.6520 299.5928 3456.2459 6200.6952 300.3374 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: 6148.48, 0.00391088/step Wall: 6148.48, 0.00391088/step, 1.05876 hours remaining, 114.207031 MB of memory in use. ENERGY: 1525400 673.7923 1883.8485 1936.9101 102.7326 2.1025 -1092.5378 0.0000 0.0000 2694.6386 6201.4868 297.6303 3506.8482 6231.0334 298.4753 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: 6149.26, 0.00391775/step Wall: 6149.26, 0.00391775/step, 1.0604 hours remaining, 114.207031 MB of memory in use. ENERGY: 1525600 653.4278 1797.9598 1940.4478 136.2846 2.3924 -1079.7351 0.0000 0.0000 2695.7601 6146.5374 297.7542 3450.7773 6176.0904 297.6564 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: 6150.04, 0.00391834/step Wall: 6150.04, 0.00391834/step, 1.06035 hours remaining, 114.207031 MB of memory in use. ENERGY: 1525800 650.5412 1775.9076 1961.9740 110.0389 1.9808 -1060.6732 0.0000 0.0000 2689.3438 6129.1131 297.0455 3439.7694 6162.3444 297.9268 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: 6150.83, 0.00391827/step Wall: 6150.83, 0.00391827/step, 1.06011 hours remaining, 114.207031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1526000 682.9262 1797.5970 1953.0978 121.5451 2.4429 -1116.6649 0.0000 0.0000 2671.6408 6112.5849 295.0902 3440.9441 6144.1030 294.9942 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: 6151.61, 0.00391716/step Wall: 6151.61, 0.00391716/step, 1.05959 hours remaining, 114.207031 MB of memory in use. ENERGY: 1526200 679.4032 1819.9143 1952.6125 100.5404 2.8930 -1091.8722 0.0000 0.0000 2660.7948 6124.2861 293.8922 3463.4913 6157.9188 296.3831 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: 6152.39, 0.00391132/step Wall: 6152.39, 0.00391132/step, 1.0578 hours remaining, 114.207031 MB of memory in use. ENERGY: 1526400 631.5426 1843.1116 1943.5951 92.4280 1.6672 -1069.4954 0.0000 0.0000 2696.5119 6139.3610 297.8373 3442.8491 6170.9281 297.3538 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: 6153.18, 0.00391583/step Wall: 6153.18, 0.00391583/step, 1.0588 hours remaining, 114.210938 MB of memory in use. ENERGY: 1526600 669.8520 1837.2614 1925.8790 109.8987 2.3142 -1130.0442 0.0000 0.0000 2714.4527 6129.6138 299.8189 3415.1610 6160.5678 296.5258 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: 6153.96, 0.00391675/step Wall: 6153.96, 0.00391675/step, 1.05883 hours remaining, 114.210938 MB of memory in use. ENERGY: 1526800 670.7010 1779.4166 1960.0367 97.9328 2.7242 -1095.4492 0.0000 0.0000 2769.2614 6184.6235 305.8726 3415.3621 6219.5877 299.3241 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: 6154.74, 0.00391686/step Wall: 6154.74, 0.00391686/step, 1.05864 hours remaining, 114.210938 MB of memory in use. ENERGY: 1527000 658.0786 1818.6529 1962.7283 105.9645 2.0227 -1110.6494 0.0000 0.0000 2700.7043 6137.5019 298.3003 3436.7976 6171.0578 298.5612 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: 6155.52, 0.0039094/step Wall: 6155.52, 0.0039094/step, 1.05641 hours remaining, 114.210938 MB of memory in use. ENERGY: 1527200 675.4185 1778.1867 1976.3629 107.1999 3.1710 -1121.4505 0.0000 0.0000 2683.9601 6102.8485 296.4509 3418.8884 6136.2539 298.0555 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: 6156.31, 0.00391536/step Wall: 6156.31, 0.00391536/step, 1.0578 hours remaining, 114.210938 MB of memory in use. ENERGY: 1527400 655.8006 1833.0701 1966.4639 104.6370 2.5092 -1118.2787 0.0000 0.0000 2643.8619 6088.0640 292.0219 3444.2021 6115.4786 296.6196 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: 6157.09, 0.00391554/step Wall: 6157.09, 0.00391554/step, 1.05763 hours remaining, 114.210938 MB of memory in use. ENERGY: 1527600 630.2949 1810.6559 1964.0140 99.7367 1.9415 -1078.2140 0.0000 0.0000 2728.8565 6157.2855 301.4098 3428.4290 6190.3330 296.1964 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: 6157.88, 0.00393015/step Wall: 6157.88, 0.00393015/step, 1.06136 hours remaining, 114.210938 MB of memory in use. ENERGY: 1527800 621.2010 1842.3625 1947.3616 93.6917 2.8268 -1094.0824 0.0000 0.0000 2732.1669 6145.5281 301.7754 3413.3612 6180.1253 298.3748 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: 6158.66, 0.00391571/step Wall: 6158.66, 0.00391571/step, 1.05724 hours remaining, 114.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1528000 639.8911 1872.6190 1978.1619 107.0522 1.9568 -1103.1701 0.0000 0.0000 2627.5729 6124.0838 290.2227 3496.5109 6151.6201 296.5121 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: 6159.44, 0.00390967/step Wall: 6159.44, 0.00390967/step, 1.05539 hours remaining, 114.210938 MB of memory in use. ENERGY: 1528200 680.6557 1810.0717 1971.0802 117.5992 2.3722 -1094.0686 0.0000 0.0000 2620.7842 6108.4945 289.4729 3487.7103 6137.8398 296.1110 LDB: ============= START OF LOAD BALANCING ============== 6162.14 LDB: ============== END OF LOAD BALANCING =============== 6162.14 LDB: =============== DONE WITH MIGRATION ================ 6162.14 LDB: ============= START OF LOAD BALANCING ============== 6162.53 LDB: ============== END OF LOAD BALANCING =============== 6162.53 LDB: =============== DONE WITH MIGRATION ================ 6162.53 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: 6160.23, 0.00391862/step Wall: 6160.23, 0.00391862/step, 1.05759 hours remaining, 114.210938 MB of memory in use. ENERGY: 1528400 654.9061 1830.1835 1985.8441 110.6732 1.9659 -1088.3354 0.0000 0.0000 2647.4374 6142.6748 292.4168 3495.2374 6173.1459 295.3906 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: 6161.01, 0.00391879/step Wall: 6161.01, 0.00391879/step, 1.05742 hours remaining, 114.210938 MB of memory in use. ENERGY: 1528600 653.9500 1849.7193 1955.2574 107.6185 2.7298 -1108.5299 0.0000 0.0000 2690.5483 6151.2935 297.1786 3460.7451 6182.3229 297.5547 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: 6161.79, 0.00391566/step Wall: 6161.79, 0.00391566/step, 1.05636 hours remaining, 114.210938 MB of memory in use. ENERGY: 1528800 648.3383 1823.4038 1968.3539 113.6289 1.1615 -1118.2334 0.0000 0.0000 2715.1569 6151.8099 299.8966 3436.6530 6186.9028 298.0118 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: 6162.57, 0.00391123/step Wall: 6162.57, 0.00391123/step, 1.05495 hours remaining, 114.210938 MB of memory in use. ENERGY: 1529000 635.7803 1813.8072 1960.9144 101.5223 3.0373 -1039.4294 0.0000 0.0000 2665.5013 6141.1334 294.4120 3475.6321 6172.8640 296.0886 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: 6163.36, 0.00391652/step Wall: 6163.36, 0.00391652/step, 1.05615 hours remaining, 114.210938 MB of memory in use. ENERGY: 1529200 646.6706 1793.0993 1954.3247 106.8697 3.2869 -1091.3961 0.0000 0.0000 2714.5317 6127.3868 299.8276 3412.8551 6164.0124 297.4090 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: 6164.14, 0.00391539/step Wall: 6164.14, 0.00391539/step, 1.05563 hours remaining, 114.210938 MB of memory in use. ENERGY: 1529400 657.5221 1852.1518 1933.0347 103.2889 2.5931 -1098.0241 0.0000 0.0000 2671.4125 6121.9789 295.0649 3450.5664 6152.2941 296.7970 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: 6164.92, 0.00391692/step Wall: 6164.92, 0.00391692/step, 1.05583 hours remaining, 114.210938 MB of memory in use. ENERGY: 1529600 646.5812 1764.3182 1961.4445 110.1421 2.6725 -1069.5422 0.0000 0.0000 2741.8008 6157.4171 302.8395 3415.6163 6190.6731 297.7254 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: 6165.71, 0.00391691/step Wall: 6165.71, 0.00391691/step, 1.05561 hours remaining, 114.210938 MB of memory in use. ENERGY: 1529800 698.9625 1823.7888 1985.7757 97.9995 2.3925 -1113.6091 0.0000 0.0000 2699.0138 6194.3238 298.1136 3495.3099 6226.5133 299.4539 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: 6166.49, 0.00391294/step Wall: 6166.49, 0.00391293/step, 1.05432 hours remaining, 114.210938 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1530000 667.1954 1849.9875 1967.9455 109.1929 2.7421 -1077.6254 0.0000 0.0000 2713.3187 6232.7567 299.6936 3519.4379 6264.7536 300.5939 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1530000 WRITING COORDINATES TO DCD FILE MD.1.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: 6167.44, 0.0047284/step Wall: 6167.44, 0.00472841/step, 1.27378 hours remaining, 114.210938 MB of memory in use. ENERGY: 1530200 655.1927 1840.6459 1956.6924 107.6094 1.8665 -1025.6672 0.0000 0.0000 2690.1368 6226.4766 297.1331 3536.3398 6256.5559 301.8284 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: 6168.22, 0.00391457/step Wall: 6168.22, 0.00391457/step, 1.05432 hours remaining, 114.210938 MB of memory in use. ENERGY: 1530400 662.1153 1846.0439 1971.4690 115.8775 2.4193 -1064.6500 0.0000 0.0000 2667.7901 6201.0650 294.6648 3533.2750 6231.8573 299.6352 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: 6169, 0.00391518/step Wall: 6169, 0.00391518/step, 1.05427 hours remaining, 114.210938 MB of memory in use. ENERGY: 1530600 645.1143 1862.1354 1940.8380 106.0074 2.8501 -1129.2544 0.0000 0.0000 2764.1838 6191.8746 305.3118 3427.6907 6226.7806 301.4683 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: 6169.78, 0.00391516/step Wall: 6169.78, 0.00391516/step, 1.05405 hours remaining, 114.210938 MB of memory in use. ENERGY: 1530800 633.6495 1848.6536 1932.0552 107.3832 3.1310 -1062.1668 0.0000 0.0000 2690.0197 6152.7254 297.1202 3462.7057 6183.7228 300.1771 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: 6170.57, 0.00391034/step Wall: 6170.57, 0.00391034/step, 1.05253 hours remaining, 114.210938 MB of memory in use. ENERGY: 1531000 622.9533 1787.7278 1937.2755 121.0591 2.8135 -1100.5235 0.0000 0.0000 2714.0837 6085.3893 299.7781 3371.3056 6121.0756 296.6700 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: 6171.35, 0.00391564/step Wall: 6171.35, 0.00391563/step, 1.05374 hours remaining, 114.210938 MB of memory in use. ENERGY: 1531200 659.0323 1792.9820 1945.8896 101.2177 1.8918 -1126.5835 0.0000 0.0000 2655.0975 6029.5273 293.2629 3374.4299 6058.9177 292.6771 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: 6172.13, 0.00391477/step Wall: 6172.13, 0.00391478/step, 1.05329 hours remaining, 114.210938 MB of memory in use. ENERGY: 1531400 668.2122 1774.6842 1930.8507 116.0127 2.9167 -1126.2622 0.0000 0.0000 2651.5312 6017.9453 292.8690 3366.4141 6052.3354 292.0403 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: 6172.92, 0.00391618/step Wall: 6172.92, 0.00391618/step, 1.05345 hours remaining, 114.218750 MB of memory in use. ENERGY: 1531600 627.5049 1822.2216 1931.3480 102.9122 1.4712 -1062.1358 0.0000 0.0000 2674.6500 6097.9721 295.4225 3423.3221 6129.7171 292.6934 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: 6173.7, 0.00391636/step Wall: 6173.7, 0.00391636/step, 1.05328 hours remaining, 114.218750 MB of memory in use. ENERGY: 1531800 662.5799 1798.9249 1944.0276 116.6081 2.0877 -1071.3584 0.0000 0.0000 2666.7853 6119.6550 294.5539 3452.8697 6154.6253 296.6045 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: 6174.48, 0.00391123/step Wall: 6174.48, 0.00391123/step, 1.05169 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1532000 654.8819 1856.5535 1940.1765 111.9418 1.8407 -1097.6825 0.0000 0.0000 2689.4131 6157.1251 297.0532 3467.7120 6190.4694 297.9246 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: 6175.26, 0.00391589/step Wall: 6175.26, 0.00391589/step, 1.05272 hours remaining, 114.218750 MB of memory in use. ENERGY: 1532200 629.0197 1798.1404 1968.5865 112.8286 2.0038 -1070.7384 0.0000 0.0000 2727.3627 6167.2034 301.2448 3439.8407 6203.9313 298.8699 LDB: ============= START OF LOAD BALANCING ============== 6177.97 LDB: ============== END OF LOAD BALANCING =============== 6177.97 LDB: =============== DONE WITH MIGRATION ================ 6177.97 LDB: ============= START OF LOAD BALANCING ============== 6178.36 LDB: ============== END OF LOAD BALANCING =============== 6178.36 LDB: =============== DONE WITH MIGRATION ================ 6178.36 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: 6176.05, 0.00392061/step Wall: 6176.05, 0.00392061/step, 1.05377 hours remaining, 114.218750 MB of memory in use. ENERGY: 1532400 646.7254 1811.6146 1955.7505 111.6814 2.3911 -1128.6566 0.0000 0.0000 2704.7877 6104.2941 298.7513 3399.5064 6141.3763 298.0196 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: 6176.83, 0.00391988/step Wall: 6176.83, 0.00391988/step, 1.05336 hours remaining, 114.218750 MB of memory in use. ENERGY: 1532600 635.7635 1764.9965 1978.7700 101.9086 2.7740 -1089.2301 0.0000 0.0000 2663.5494 6058.5319 294.1965 3394.9825 6092.6401 292.8674 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: 6177.62, 0.00391117/step Wall: 6177.62, 0.00391117/step, 1.0508 hours remaining, 114.218750 MB of memory in use. ENERGY: 1532800 600.5204 1841.8570 1955.7135 98.6199 2.4371 -1063.0677 0.0000 0.0000 2683.7066 6119.7867 296.4229 3436.0801 6152.7441 294.4819 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: 6178.4, 0.00391867/step Wall: 6178.4, 0.00391867/step, 1.0526 hours remaining, 114.218750 MB of memory in use. ENERGY: 1533000 656.1965 1846.9271 1978.7094 108.9728 1.9545 -1100.0119 0.0000 0.0000 2666.4816 6159.2300 294.5203 3492.7484 6189.5163 296.9303 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: 6179.18, 0.00391716/step Wall: 6179.18, 0.00391716/step, 1.05198 hours remaining, 114.218750 MB of memory in use. ENERGY: 1533200 658.3700 1801.5016 1968.5564 118.4194 1.8826 -1116.9292 0.0000 0.0000 2747.7143 6179.5152 303.4927 3431.8008 6213.4730 300.2310 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: 6179.97, 0.00391794/step Wall: 6179.97, 0.00391794/step, 1.05197 hours remaining, 114.218750 MB of memory in use. ENERGY: 1533400 610.8107 1866.5952 1960.7526 106.4673 1.3400 -1099.1685 0.0000 0.0000 2729.9111 6176.7084 301.5263 3446.7973 6210.1507 300.5015 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: 6180.75, 0.00391861/step Wall: 6180.75, 0.00391861/step, 1.05193 hours remaining, 114.218750 MB of memory in use. ENERGY: 1533600 644.7185 1743.2856 1989.0413 113.0388 2.0472 -1069.5641 0.0000 0.0000 2749.5896 6172.1569 303.6998 3422.5673 6206.0284 299.3310 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: 6181.53, 0.00391056/step Wall: 6181.53, 0.00391056/step, 1.04955 hours remaining, 114.218750 MB of memory in use. ENERGY: 1533800 647.2662 1811.7298 1975.4929 103.1462 1.3171 -1094.0330 0.0000 0.0000 2704.5939 6149.5130 298.7299 3444.9191 6181.7315 299.2666 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: 6182.32, 0.00391657/step Wall: 6182.32, 0.00391657/step, 1.05094 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1534000 668.2641 1852.8665 1951.0787 113.5003 2.2803 -1084.9115 0.0000 0.0000 2690.5556 6193.6340 297.1794 3503.0784 6227.8909 298.0594 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: 6183.1, 0.00391659/step Wall: 6183.1, 0.00391659/step, 1.05073 hours remaining, 114.218750 MB of memory in use. ENERGY: 1534200 628.8443 1875.4269 1953.6753 109.8383 2.2057 -1126.7506 0.0000 0.0000 2728.9145 6172.1545 301.4162 3443.2399 6206.3355 301.2805 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: 6183.88, 0.00391715/step Wall: 6183.88, 0.00391715/step, 1.05067 hours remaining, 114.218750 MB of memory in use. ENERGY: 1534400 685.3698 1833.9693 1945.3014 110.7290 -0.3650 -1098.5625 0.0000 0.0000 2715.9536 6192.3956 299.9846 3476.4420 6226.3613 300.0878 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: 6184.66, 0.00391495/step Wall: 6184.66, 0.00391495/step, 1.04986 hours remaining, 114.218750 MB of memory in use. ENERGY: 1534600 669.3176 1831.2472 1938.9220 106.6830 0.7004 -1075.3822 0.0000 0.0000 2734.9660 6206.4538 302.0846 3471.4878 6236.9116 300.4720 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: 6185.45, 0.00391236/step Wall: 6185.45, 0.00391236/step, 1.04895 hours remaining, 114.218750 MB of memory in use. ENERGY: 1534800 652.0192 1799.5665 1981.3110 107.2842 3.7126 -1095.6269 0.0000 0.0000 2737.4983 6185.7649 302.3643 3448.2666 6219.6740 299.6447 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: 6186.23, 0.00391739/step Wall: 6186.23, 0.00391739/step, 1.05008 hours remaining, 114.218750 MB of memory in use. ENERGY: 1535000 643.4801 1855.2520 1936.9276 121.0519 2.8144 -1100.7018 0.0000 0.0000 2742.5720 6201.3963 302.9247 3458.8243 6234.7640 299.2618 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: 6187.01, 0.00391863/step Wall: 6187.01, 0.00391863/step, 1.05019 hours remaining, 114.218750 MB of memory in use. ENERGY: 1535200 662.3191 1829.1205 1958.6342 105.3313 2.3263 -1044.1207 0.0000 0.0000 2717.3924 6231.0032 300.1436 3513.6108 6263.5503 302.2026 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: 6187.8, 0.00391636/step Wall: 6187.8, 0.00391637/step, 1.04937 hours remaining, 114.218750 MB of memory in use. ENERGY: 1535400 639.2386 1834.8410 1943.3909 100.6063 0.4883 -1072.0488 0.0000 0.0000 2783.1660 6229.6824 307.4084 3446.5164 6264.6296 302.2819 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: 6188.58, 0.00392344/step Wall: 6188.58, 0.00392344/step, 1.05105 hours remaining, 114.218750 MB of memory in use. ENERGY: 1535600 651.7250 1850.4445 1943.3890 121.3943 1.8814 -1081.8380 0.0000 0.0000 2761.8527 6248.8489 305.0543 3486.9962 6283.8453 303.3087 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: 6189.37, 0.00391844/step Wall: 6189.37, 0.00391844/step, 1.04949 hours remaining, 114.218750 MB of memory in use. ENERGY: 1535800 681.8400 1853.2052 1967.9565 110.9615 1.7424 -1079.7984 0.0000 0.0000 2746.9982 6282.9053 303.4136 3535.9071 6316.0760 305.6691 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: 6190.15, 0.00391865/step Wall: 6190.15, 0.00391865/step, 1.04933 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1536000 635.5641 1897.1272 1949.1866 120.9833 1.1565 -1072.0653 0.0000 0.0000 2733.6255 6265.5778 301.9366 3531.9523 6296.8086 304.9423 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: 6190.93, 0.00391677/step Wall: 6190.93, 0.00391677/step, 1.04861 hours remaining, 114.218750 MB of memory in use. ENERGY: 1536200 652.2360 1852.1824 1968.3851 105.6935 1.5179 -1065.9325 0.0000 0.0000 2789.0643 6303.1467 308.0599 3514.0824 6339.2369 303.9219 LDB: ============= START OF LOAD BALANCING ============== 6193.63 LDB: ============== END OF LOAD BALANCING =============== 6193.63 LDB: =============== DONE WITH MIGRATION ================ 6193.63 LDB: ============= START OF LOAD BALANCING ============== 6194.03 LDB: ============== END OF LOAD BALANCING =============== 6194.03 LDB: =============== DONE WITH MIGRATION ================ 6194.03 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: 6191.72, 0.00392045/step Wall: 6191.72, 0.00392045/step, 1.04938 hours remaining, 114.218750 MB of memory in use. ENERGY: 1536400 629.6856 1835.3638 1964.9933 112.4028 1.7458 -1073.6396 0.0000 0.0000 2802.0868 6272.6384 309.4983 3470.5516 6310.1360 306.0105 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: 6192.5, 0.00391029/step Wall: 6192.5, 0.00391029/step, 1.04644 hours remaining, 114.218750 MB of memory in use. ENERGY: 1536600 672.1074 1835.5557 1962.0771 108.9827 1.6240 -1110.1742 0.0000 0.0000 2784.9628 6255.1356 307.6069 3470.1728 6292.8762 302.9329 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: 6193.28, 0.00391544/step Wall: 6193.28, 0.00391544/step, 1.0476 hours remaining, 114.218750 MB of memory in use. ENERGY: 1536800 689.0210 1856.5584 1990.1880 103.3658 1.2333 -1121.2073 0.0000 0.0000 2790.1595 6309.3187 308.1809 3519.1592 6346.6070 304.4407 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: 6194.07, 0.0039173/step Wall: 6194.07, 0.00391729/step, 1.04788 hours remaining, 114.218750 MB of memory in use. ENERGY: 1537000 687.0302 1848.6325 1977.2310 104.1676 2.3541 -1084.1392 0.0000 0.0000 2763.0685 6298.3447 305.1886 3535.2762 6335.2495 305.1021 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: 6194.85, 0.00391792/step Wall: 6194.85, 0.00391793/step, 1.04783 hours remaining, 114.218750 MB of memory in use. ENERGY: 1537200 689.0462 1859.8826 1979.7942 106.9164 1.6353 -1108.9730 0.0000 0.0000 2764.4964 6292.7982 305.3463 3528.3018 6327.5448 304.9052 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: 6195.63, 0.00391069/step Wall: 6195.63, 0.00391069/step, 1.04568 hours remaining, 114.218750 MB of memory in use. ENERGY: 1537400 651.0895 1862.5290 1965.5167 106.4997 1.9889 -1083.8781 0.0000 0.0000 2732.4213 6236.1671 301.8035 3503.7458 6270.1323 301.7438 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: 6196.42, 0.00391739/step Wall: 6196.42, 0.00391739/step, 1.04725 hours remaining, 114.218750 MB of memory in use. ENERGY: 1537600 649.4962 1829.7496 1964.0904 101.8208 2.4578 -1056.6808 0.0000 0.0000 2684.3936 6175.3276 296.4987 3490.9340 6211.8493 299.3684 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: 6197.2, 0.00391571/step Wall: 6197.2, 0.00391571/step, 1.04658 hours remaining, 114.218750 MB of memory in use. ENERGY: 1537800 640.2104 1822.7782 1972.5154 111.2242 3.6782 -1121.6666 0.0000 0.0000 2741.6825 6170.4222 302.8265 3428.7398 6207.2241 300.2603 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: 6197.98, 0.00392824/step Wall: 6197.98, 0.00392824/step, 1.04971 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1538000 638.4405 1885.8156 1961.3882 97.2068 2.1703 -1094.0694 0.0000 0.0000 2741.2247 6232.1767 302.7759 3490.9520 6266.1747 302.1901 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: 6198.77, 0.00391961/step Wall: 6198.77, 0.00391961/step, 1.04719 hours remaining, 114.218750 MB of memory in use. ENERGY: 1538200 667.5585 1811.9075 1954.1475 112.3572 2.3462 -1081.5173 0.0000 0.0000 2730.1204 6196.9200 301.5494 3466.7996 6229.8925 301.5421 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: 6199.55, 0.00391289/step Wall: 6199.55, 0.00391289/step, 1.04518 hours remaining, 114.218750 MB of memory in use. ENERGY: 1538400 662.9762 1842.4506 1967.6953 100.1697 2.3090 -1048.3979 0.0000 0.0000 2717.0635 6244.2664 300.1072 3527.2029 6276.6119 302.0536 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: 6200.33, 0.00391942/step Wall: 6200.33, 0.00391942/step, 1.0467 hours remaining, 114.218750 MB of memory in use. ENERGY: 1538600 673.5837 1897.2805 1961.3057 118.6074 2.0940 -1105.7287 0.0000 0.0000 2725.7983 6272.9409 301.0720 3547.1426 6307.3269 302.8420 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: 6201.12, 0.00391771/step Wall: 6201.12, 0.00391771/step, 1.04603 hours remaining, 114.218750 MB of memory in use. ENERGY: 1538800 651.9236 1875.0684 1964.5747 105.2658 1.6722 -1079.2345 0.0000 0.0000 2725.1164 6244.3866 300.9967 3519.2702 6279.9647 301.7587 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: 6201.9, 0.00391698/step Wall: 6201.9, 0.00391698/step, 1.04562 hours remaining, 114.218750 MB of memory in use. ENERGY: 1539000 661.4223 1817.3263 1942.3369 128.9112 1.6057 -1068.6398 0.0000 0.0000 2777.7549 6260.7175 306.8108 3482.9626 6294.2339 302.3598 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: 6202.68, 0.00391101/step Wall: 6202.68, 0.00391101/step, 1.0438 hours remaining, 114.218750 MB of memory in use. ENERGY: 1539200 660.9165 1852.5160 1940.3147 118.5371 3.3862 -1062.5061 0.0000 0.0000 2754.6053 6267.7696 304.2538 3513.1643 6302.8339 303.9796 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: 6203.47, 0.00391675/step Wall: 6203.47, 0.00391675/step, 1.04512 hours remaining, 114.218750 MB of memory in use. ENERGY: 1539400 635.7613 1824.1096 1995.6934 115.7166 1.9878 -1061.6320 0.0000 0.0000 2701.9452 6213.5819 298.4374 3511.6367 6248.7528 303.0946 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: 6204.25, 0.00391678/step Wall: 6204.25, 0.00391678/step, 1.04491 hours remaining, 114.218750 MB of memory in use. ENERGY: 1539600 649.0494 1904.2542 1926.4962 95.9453 0.4999 -1072.5613 0.0000 0.0000 2749.9156 6253.5992 303.7358 3503.6836 6286.4245 301.1865 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: 6205.03, 0.00391847/step Wall: 6205.03, 0.00391847/step, 1.04514 hours remaining, 114.218750 MB of memory in use. ENERGY: 1539800 657.9422 1885.1363 1958.2082 107.6865 1.6309 -1077.4234 0.0000 0.0000 2715.7502 6248.9307 299.9622 3533.1805 6283.0447 303.8496 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: 6205.82, 0.0039193/step Wall: 6205.82, 0.0039193/step, 1.04515 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1540000 673.6781 1876.8763 1967.2348 101.8039 1.9767 -1086.6582 0.0000 0.0000 2731.4505 6266.3621 301.6963 3534.9116 6296.9851 302.5045 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1540000 WRITING COORDINATES TO DCD FILE MD.1.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: 6206.64, 0.00411778/step Wall: 6206.64, 0.00411778/step, 1.09785 hours remaining, 114.218750 MB of memory in use. ENERGY: 1540200 670.8754 1899.3113 1940.7437 108.7264 0.4734 -1078.3383 0.0000 0.0000 2697.3926 6239.1845 297.9345 3541.7920 6271.3637 303.5182 LDB: ============= START OF LOAD BALANCING ============== 6209.34 LDB: ============== END OF LOAD BALANCING =============== 6209.34 LDB: =============== DONE WITH MIGRATION ================ 6209.34 LDB: ============= START OF LOAD BALANCING ============== 6209.74 LDB: ============== END OF LOAD BALANCING =============== 6209.74 LDB: =============== DONE WITH MIGRATION ================ 6209.74 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: 6207.43, 0.00392457/step Wall: 6207.43, 0.00392457/step, 1.04612 hours remaining, 114.218750 MB of memory in use. ENERGY: 1540400 681.7923 1887.1377 1932.2091 105.9294 0.8695 -1102.8091 0.0000 0.0000 2762.9139 6268.0429 305.1715 3505.1290 6299.4514 304.2533 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: 6208.21, 0.00392051/step Wall: 6208.21, 0.00392051/step, 1.04482 hours remaining, 114.218750 MB of memory in use. ENERGY: 1540600 681.9958 1844.5830 1970.3314 122.0121 1.6321 -1068.5161 0.0000 0.0000 2789.6176 6341.6559 308.1210 3552.0383 6374.5781 305.8473 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: 6208.99, 0.00392099/step Wall: 6208.99, 0.00392099/step, 1.04473 hours remaining, 114.218750 MB of memory in use. ENERGY: 1540800 668.7008 1854.7405 1964.5983 122.9924 3.4491 -1095.2646 0.0000 0.0000 2796.7617 6315.9782 308.9101 3519.2165 6351.7881 306.3323 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: 6209.78, 0.00391803/step Wall: 6209.78, 0.00391803/step, 1.04372 hours remaining, 114.218750 MB of memory in use. ENERGY: 1541000 633.5139 1857.0049 1943.7621 120.3738 3.3298 -1053.0514 0.0000 0.0000 2781.2983 6286.2313 307.2021 3504.9330 6321.2048 305.6447 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: 6210.56, 0.00391267/step Wall: 6210.56, 0.00391267/step, 1.04207 hours remaining, 114.218750 MB of memory in use. ENERGY: 1541200 661.3091 1842.9656 1981.8040 107.0869 3.1084 -1082.2935 0.0000 0.0000 2747.2039 6261.1845 303.4363 3513.9806 6295.3688 304.7755 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: 6211.35, 0.00392146/step Wall: 6211.35, 0.00392146/step, 1.0442 hours remaining, 114.218750 MB of memory in use. ENERGY: 1541400 648.1266 1815.8548 1953.0814 104.5595 3.2341 -1064.4473 0.0000 0.0000 2808.9850 6269.3942 310.2602 3460.4092 6305.1498 303.6201 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: 6212.13, 0.00391612/step Wall: 6212.13, 0.00391612/step, 1.04256 hours remaining, 114.218750 MB of memory in use. ENERGY: 1541600 633.0866 1888.2176 1960.7617 110.1237 1.9184 -1095.4217 0.0000 0.0000 2771.5355 6270.2219 306.1238 3498.6864 6305.1036 303.0696 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: 6212.91, 0.00391901/step Wall: 6212.91, 0.00391901/step, 1.04311 hours remaining, 114.218750 MB of memory in use. ENERGY: 1541800 651.0987 1836.8854 1970.1611 117.4423 2.0235 -1066.2340 0.0000 0.0000 2769.7689 6281.1459 305.9287 3511.3770 6315.2637 304.2142 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: 6213.69, 0.00390972/step Wall: 6213.69, 0.00390972/step, 1.04042 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1542000 664.6709 1843.6524 1973.3527 112.4192 1.5988 -1075.8008 0.0000 0.0000 2766.5593 6286.4525 305.5742 3519.8932 6319.0366 305.5660 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: 6214.48, 0.00391701/step Wall: 6214.48, 0.00391701/step, 1.04214 hours remaining, 114.218750 MB of memory in use. ENERGY: 1542200 653.4261 1814.5414 1972.6471 98.8373 2.4503 -1079.1982 0.0000 0.0000 2820.8229 6283.5268 311.5677 3462.7040 6320.6958 305.7673 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: 6215.26, 0.00391724/step Wall: 6215.26, 0.00391724/step, 1.04199 hours remaining, 114.218750 MB of memory in use. ENERGY: 1542400 680.8671 1872.8152 1986.4747 104.4980 3.5307 -1093.6105 0.0000 0.0000 2752.8010 6307.3763 304.0545 3554.5753 6339.9130 306.1343 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: 6216.04, 0.0039173/step Wall: 6216.04, 0.0039173/step, 1.04178 hours remaining, 114.218750 MB of memory in use. ENERGY: 1542600 683.2299 1809.2742 1961.4082 121.8058 1.9214 -1075.3342 0.0000 0.0000 2766.9679 6269.2732 305.6193 3502.3053 6303.6996 303.5667 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: 6216.83, 0.00391787/step Wall: 6216.83, 0.00391787/step, 1.04172 hours remaining, 114.218750 MB of memory in use. ENERGY: 1542800 686.7580 1887.0446 1959.4668 121.8948 2.7405 -1081.8651 0.0000 0.0000 2699.0243 6275.0639 298.1148 3576.0396 6305.2010 302.6190 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: 6217.61, 0.00391146/step Wall: 6217.61, 0.00391146/step, 1.0398 hours remaining, 114.218750 MB of memory in use. ENERGY: 1543000 659.1584 1866.6047 1936.9999 101.1563 2.1672 -1089.3575 0.0000 0.0000 2758.7566 6235.4856 304.7124 3476.7290 6271.7910 303.5539 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: 6218.39, 0.00391861/step Wall: 6218.39, 0.00391861/step, 1.04148 hours remaining, 114.218750 MB of memory in use. ENERGY: 1543200 629.3431 1902.5392 1959.4099 112.0264 1.4751 -1124.6147 0.0000 0.0000 2747.2633 6227.4422 303.4429 3480.1789 6262.4158 303.6018 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: 6219.18, 0.0039169/step Wall: 6219.18, 0.0039169/step, 1.04081 hours remaining, 114.218750 MB of memory in use. ENERGY: 1543400 654.3589 1830.4183 1951.6219 116.8375 1.7927 -1138.3537 0.0000 0.0000 2776.7542 6193.4298 306.7002 3416.6756 6228.9985 301.9938 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: 6219.96, 0.00391758/step Wall: 6219.96, 0.00391758/step, 1.04077 hours remaining, 114.218750 MB of memory in use. ENERGY: 1543600 693.6526 1843.0677 1947.3478 114.5337 1.1343 -1107.1648 0.0000 0.0000 2704.4430 6197.0143 298.7133 3492.5713 6229.8167 300.4101 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: 6220.74, 0.00391127/step Wall: 6220.74, 0.00391127/step, 1.03888 hours remaining, 114.218750 MB of memory in use. ENERGY: 1543800 650.9346 1834.8474 1957.4401 109.7879 2.0010 -1107.9772 0.0000 0.0000 2756.7075 6203.7414 304.4860 3447.0339 6236.9485 301.9192 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: 6221.53, 0.00391796/step Wall: 6221.53, 0.00391796/step, 1.04044 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1544000 638.3800 1852.0197 1923.4455 109.2454 1.8282 -1095.2491 0.0000 0.0000 2733.7657 6163.4354 301.9520 3429.6698 6198.5916 300.4112 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: 6222.31, 0.00391836/step Wall: 6222.31, 0.00391836/step, 1.04032 hours remaining, 114.218750 MB of memory in use. ENERGY: 1544200 654.0373 1862.1040 1978.0323 100.7833 2.3291 -1124.1158 0.0000 0.0000 2704.1500 6177.3202 298.6809 3473.1702 6212.1457 302.0643 LDB: ============= START OF LOAD BALANCING ============== 6225.01 LDB: ============== END OF LOAD BALANCING =============== 6225.01 LDB: =============== DONE WITH MIGRATION ================ 6225.01 LDB: ============= START OF LOAD BALANCING ============== 6225.4 LDB: ============== END OF LOAD BALANCING =============== 6225.4 LDB: =============== DONE WITH MIGRATION ================ 6225.4 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: 6223.09, 0.00392264/step Wall: 6223.09, 0.00392264/step, 1.04124 hours remaining, 114.218750 MB of memory in use. ENERGY: 1544400 655.7288 1824.8564 1968.7245 101.5474 1.8620 -1106.6362 0.0000 0.0000 2720.7221 6166.8050 300.5113 3446.0829 6201.3990 299.6327 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: 6223.88, 0.00391922/step Wall: 6223.88, 0.00391922/step, 1.04012 hours remaining, 114.218750 MB of memory in use. ENERGY: 1544600 650.9103 1841.4185 1929.9386 105.3632 2.3400 -1077.7314 0.0000 0.0000 2684.4203 6136.6596 296.5017 3452.2392 6169.5362 297.0295 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: 6224.66, 0.00391195/step Wall: 6224.66, 0.00391195/step, 1.03797 hours remaining, 114.218750 MB of memory in use. ENERGY: 1544800 660.7874 1859.7498 1945.9132 126.1355 2.0184 -1091.3897 0.0000 0.0000 2656.5770 6159.7916 293.4263 3503.2147 6192.2402 296.8203 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: 6225.44, 0.00391779/step Wall: 6225.44, 0.00391779/step, 1.0393 hours remaining, 114.218750 MB of memory in use. ENERGY: 1545000 659.0198 1825.7284 1972.9746 109.3982 2.4237 -1120.4738 0.0000 0.0000 2706.2437 6155.3146 298.9122 3449.0709 6188.9024 298.3023 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: 6226.23, 0.00391783/step Wall: 6226.23, 0.00391783/step, 1.0391 hours remaining, 114.218750 MB of memory in use. ENERGY: 1545200 667.0512 1837.4153 1948.8393 94.0658 3.2097 -1119.7101 0.0000 0.0000 2741.8011 6172.6721 302.8396 3430.8710 6209.2906 300.4402 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: 6227.01, 0.00391798/step Wall: 6227.01, 0.00391798/step, 1.03892 hours remaining, 114.218750 MB of memory in use. ENERGY: 1545400 654.6932 1869.2418 1955.6116 107.5500 1.5577 -1073.6322 0.0000 0.0000 2660.5074 6175.5295 293.8605 3515.0221 6206.2930 299.0912 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: 6227.8, 0.00391897/step Wall: 6227.8, 0.00391897/step, 1.03896 hours remaining, 114.218750 MB of memory in use. ENERGY: 1545600 656.4489 1832.2259 1940.0303 102.2628 2.6948 -1105.4251 0.0000 0.0000 2731.6919 6159.9294 301.7230 3428.2375 6193.2816 300.1463 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: 6228.58, 0.00391369/step Wall: 6228.58, 0.00391369/step, 1.03734 hours remaining, 114.218750 MB of memory in use. ENERGY: 1545800 679.1087 1850.2511 1953.2822 107.8700 1.7062 -1081.8904 0.0000 0.0000 2736.7283 6247.0561 302.2793 3510.3277 6279.6797 301.0262 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: 6229.36, 0.00391961/step Wall: 6229.36, 0.00391961/step, 1.0387 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1546000 671.6340 1824.8124 1936.2394 110.8066 2.2537 -1095.0382 0.0000 0.0000 2731.1151 6181.8230 301.6593 3450.7079 6214.3908 299.9980 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: 6230.15, 0.00391807/step Wall: 6230.15, 0.00391808/step, 1.03807 hours remaining, 114.218750 MB of memory in use. ENERGY: 1546200 668.6861 1877.5013 1937.6522 110.2629 2.7563 -1091.0836 0.0000 0.0000 2698.3490 6204.1242 298.0402 3505.7751 6237.2498 299.7977 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: 6230.93, 0.00391912/step Wall: 6230.93, 0.00391912/step, 1.03813 hours remaining, 114.218750 MB of memory in use. ENERGY: 1546400 652.5553 1870.3261 1962.1865 120.1277 1.7777 -1090.8495 0.0000 0.0000 2736.9300 6253.0538 302.3015 3516.1239 6289.7454 302.2949 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: 6231.71, 0.00391153/step Wall: 6231.71, 0.00391153/step, 1.0359 hours remaining, 114.218750 MB of memory in use. ENERGY: 1546600 704.0966 1803.2557 1961.4540 107.2746 1.8044 -1081.6237 0.0000 0.0000 2707.6178 6203.8793 299.0639 3496.2615 6233.7988 300.7400 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: 6232.5, 0.00391911/step Wall: 6232.5, 0.0039191/step, 1.03769 hours remaining, 114.218750 MB of memory in use. ENERGY: 1546800 657.9453 1828.5384 1952.3095 101.3315 2.2543 -1086.1539 0.0000 0.0000 2741.9757 6198.2007 302.8588 3456.2251 6233.4547 301.0858 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: 6233.28, 0.00391917/step Wall: 6233.28, 0.00391918/step, 1.03749 hours remaining, 114.218750 MB of memory in use. ENERGY: 1547000 650.0894 1842.0658 1948.5706 110.8641 1.6469 -1083.2274 0.0000 0.0000 2691.4645 6161.4739 297.2798 3470.0094 6197.6170 301.0684 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: 6234.06, 0.00391978/step Wall: 6234.06, 0.00391978/step, 1.03744 hours remaining, 114.218750 MB of memory in use. ENERGY: 1547200 610.4087 1815.3406 1962.5264 97.0344 1.5071 -1058.2844 0.0000 0.0000 2719.5057 6148.0386 300.3770 3428.5329 6181.6727 296.6469 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: 6234.85, 0.00391977/step Wall: 6234.85, 0.00391977/step, 1.03721 hours remaining, 114.218750 MB of memory in use. ENERGY: 1547400 636.3744 1911.1571 1949.1255 104.9417 3.2199 -1074.3291 0.0000 0.0000 2705.4177 6235.9071 298.8209 3530.4894 6267.1735 299.0330 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: 6235.63, 0.0039134/step Wall: 6235.63, 0.0039134/step, 1.03531 hours remaining, 114.218750 MB of memory in use. ENERGY: 1547600 650.3083 1838.2922 1912.5129 99.3176 1.3232 -1095.3767 0.0000 0.0000 2727.4569 6133.8344 301.2552 3406.3775 6165.2381 299.8991 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: 6236.41, 0.00391969/step Wall: 6236.41, 0.00391969/step, 1.03676 hours remaining, 114.218750 MB of memory in use. ENERGY: 1547800 645.7214 1846.9286 1920.0003 118.9248 1.8241 -1089.6914 0.0000 0.0000 2685.8725 6129.5802 296.6621 3443.7077 6163.2038 296.9862 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: 6237.2, 0.00391839/step Wall: 6237.2, 0.00391839/step, 1.0362 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1548000 642.5427 1868.3668 1927.1262 101.6245 2.6897 -1129.4521 0.0000 0.0000 2740.8851 6153.7830 302.7384 3412.8979 6189.8619 298.5848 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: 6237.98, 0.00393555/step Wall: 6237.98, 0.00393555/step, 1.04052 hours remaining, 114.218750 MB of memory in use. ENERGY: 1548200 665.9181 1877.1001 1963.8286 110.3945 3.9257 -1138.4391 0.0000 0.0000 2680.2323 6162.9602 296.0391 3482.7279 6193.3952 298.3420 LDB: ============= START OF LOAD BALANCING ============== 6240.69 LDB: ============== END OF LOAD BALANCING =============== 6240.69 LDB: =============== DONE WITH MIGRATION ================ 6240.69 LDB: ============= START OF LOAD BALANCING ============== 6241.08 LDB: ============== END OF LOAD BALANCING =============== 6241.08 LDB: =============== DONE WITH MIGRATION ================ 6241.08 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: 6238.77, 0.0039208/step Wall: 6238.77, 0.0039208/step, 1.0364 hours remaining, 114.218750 MB of memory in use. ENERGY: 1548400 669.1631 1840.4890 1982.8655 93.4057 2.5473 -1137.1882 0.0000 0.0000 2680.3922 6131.6746 296.0568 3451.2824 6163.8553 298.7751 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: 6239.55, 0.00391961/step Wall: 6239.55, 0.00391961/step, 1.03586 hours remaining, 114.218750 MB of memory in use. ENERGY: 1548600 657.2422 1856.4544 1965.9887 105.7447 1.6807 -1138.4333 0.0000 0.0000 2716.8030 6165.4804 300.0785 3448.6774 6198.4692 297.1579 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: 6240.34, 0.003917/step Wall: 6240.34, 0.003917/step, 1.03496 hours remaining, 114.218750 MB of memory in use. ENERGY: 1548800 657.0663 1863.5386 1964.3390 108.7630 2.0728 -1070.8854 0.0000 0.0000 2613.2452 6138.1395 288.6402 3524.8943 6169.2349 297.7209 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: 6241.12, 0.00391843/step Wall: 6241.12, 0.00391843/step, 1.03512 hours remaining, 114.218750 MB of memory in use. ENERGY: 1549000 675.3360 1870.1689 1951.3165 104.7408 2.2321 -1144.5190 0.0000 0.0000 2661.1760 6120.4514 293.9343 3459.2753 6150.6016 296.9207 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: 6241.9, 0.00391886/step Wall: 6241.9, 0.00391886/step, 1.03501 hours remaining, 114.218750 MB of memory in use. ENERGY: 1549200 675.9355 1844.7313 1945.0797 112.9535 2.1640 -1116.4458 0.0000 0.0000 2697.3934 6161.8114 297.9346 3464.4180 6193.9535 299.3621 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: 6242.69, 0.00391185/step Wall: 6242.69, 0.00391185/step, 1.03294 hours remaining, 114.218750 MB of memory in use. ENERGY: 1549400 654.3100 1786.6320 1977.0752 115.3140 1.9918 -1112.5896 0.0000 0.0000 2740.7706 6163.5042 302.7258 3422.7335 6198.6897 297.0921 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: 6243.47, 0.00391694/step Wall: 6243.47, 0.00391694/step, 1.03407 hours remaining, 114.218750 MB of memory in use. ENERGY: 1549600 654.9297 1793.0427 1952.8258 116.1540 2.3947 -1096.1300 0.0000 0.0000 2710.8962 6134.1130 299.4260 3423.2168 6167.0981 297.6092 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: 6244.25, 0.00391679/step Wall: 6244.25, 0.00391679/step, 1.03381 hours remaining, 114.218750 MB of memory in use. ENERGY: 1549800 657.5861 1895.5997 1966.7109 113.6783 2.0212 -1107.4300 0.0000 0.0000 2695.1631 6223.3294 297.6883 3528.1663 6255.9099 300.3295 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: 6245.04, 0.00391723/step Wall: 6245.04, 0.00391723/step, 1.03371 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1550000 713.4640 1843.3784 1945.5069 103.3127 2.6422 -1138.9169 0.0000 0.0000 2734.2764 6203.6638 302.0084 3469.3874 6237.5473 301.0010 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1550000 WRITING COORDINATES TO DCD FILE MD.1.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: 6245.87, 0.0041743/step Wall: 6245.87, 0.0041743/step, 1.10132 hours remaining, 114.218750 MB of memory in use. ENERGY: 1550200 660.7330 1878.9631 1947.5346 108.4144 2.0558 -1144.4164 0.0000 0.0000 2779.3165 6232.6009 306.9833 3453.2843 6267.1194 303.2561 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: 6246.65, 0.00391079/step Wall: 6246.65, 0.00391079/step, 1.03158 hours remaining, 114.218750 MB of memory in use. ENERGY: 1550400 655.3125 1813.6373 1956.4634 119.9052 2.5702 -1095.2569 0.0000 0.0000 2755.3930 6208.0248 304.3408 3452.6318 6242.9568 302.3844 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: 6247.44, 0.00391601/step Wall: 6247.44, 0.00391601/step, 1.03274 hours remaining, 114.218750 MB of memory in use. ENERGY: 1550600 652.0303 1873.7549 1968.7801 98.1985 1.6896 -1068.1325 0.0000 0.0000 2734.3570 6260.6779 302.0174 3526.3209 6293.7724 302.9301 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: 6248.22, 0.0039222/step Wall: 6248.22, 0.0039222/step, 1.03415 hours remaining, 114.218750 MB of memory in use. ENERGY: 1550800 667.5160 1822.3115 1972.2152 106.2995 1.5502 -1089.1076 0.0000 0.0000 2781.9798 6262.7647 307.2774 3480.7849 6297.4159 304.6442 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: 6249.01, 0.00392602/step Wall: 6249.01, 0.00392602/step, 1.03494 hours remaining, 114.218750 MB of memory in use. ENERGY: 1551000 703.4929 1812.5621 1976.3338 114.0310 1.1245 -1130.9055 0.0000 0.0000 2731.3615 6208.0002 301.6865 3476.6387 6238.6693 302.5138 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: 6249.79, 0.00391453/step Wall: 6249.79, 0.00391453/step, 1.0317 hours remaining, 114.218750 MB of memory in use. ENERGY: 1551200 700.6378 1830.1777 2004.1776 111.9731 1.3442 -1113.1112 0.0000 0.0000 2722.0827 6257.2821 300.6616 3535.1994 6291.3510 301.2700 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: 6250.57, 0.00392017/step Wall: 6250.57, 0.00392017/step, 1.03296 hours remaining, 114.218750 MB of memory in use. ENERGY: 1551400 654.8150 1837.3691 1998.0031 112.8856 2.8215 -1061.9042 0.0000 0.0000 2726.7432 6270.7334 301.1764 3543.9902 6303.0486 302.8128 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: 6251.36, 0.00391673/step Wall: 6251.36, 0.00391673/step, 1.03184 hours remaining, 114.218750 MB of memory in use. ENERGY: 1551600 648.8174 1885.9112 1965.2091 117.7332 1.6123 -1120.4467 0.0000 0.0000 2797.3843 6296.2208 308.9789 3498.8366 6332.9675 305.7563 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: 6252.14, 0.00391595/step Wall: 6252.14, 0.00391595/step, 1.03142 hours remaining, 114.218750 MB of memory in use. ENERGY: 1551800 689.8275 1861.0942 1993.1691 99.9554 2.2509 -1092.5771 0.0000 0.0000 2785.1290 6338.8490 307.6253 3553.7200 6370.6113 306.8502 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: 6252.92, 0.00391727/step Wall: 6252.92, 0.00391727/step, 1.03155 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1552000 701.0669 1872.9539 1979.7683 103.8140 1.5111 -1097.1839 0.0000 0.0000 2718.2577 6280.1881 300.2391 3561.9304 6311.3886 307.5980 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: 6253.71, 0.00391236/step Wall: 6253.71, 0.00391236/step, 1.03004 hours remaining, 114.218750 MB of memory in use. ENERGY: 1552200 642.1952 1860.6944 1976.4798 118.8692 2.5184 -1116.5748 0.0000 0.0000 2737.6212 6221.8034 302.3779 3484.1822 6255.2560 304.2946 LDB: ============= START OF LOAD BALANCING ============== 6256.41 LDB: ============== END OF LOAD BALANCING =============== 6256.41 LDB: =============== DONE WITH MIGRATION ================ 6256.41 LDB: ============= START OF LOAD BALANCING ============== 6256.8 LDB: ============== END OF LOAD BALANCING =============== 6256.8 LDB: =============== DONE WITH MIGRATION ================ 6256.8 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: 6254.49, 0.00392279/step Wall: 6254.49, 0.00392279/step, 1.03257 hours remaining, 114.218750 MB of memory in use. ENERGY: 1552400 648.6949 1834.2257 1960.8286 114.4272 2.3853 -1066.9217 0.0000 0.0000 2742.4621 6236.1020 302.9126 3493.6399 6268.8226 302.0418 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: 6255.27, 0.0039159/step Wall: 6255.27, 0.0039159/step, 1.03053 hours remaining, 114.218750 MB of memory in use. ENERGY: 1552600 667.7689 1821.6313 1955.8673 106.7323 2.2476 -1079.5446 0.0000 0.0000 2772.3790 6247.0818 306.2170 3474.7028 6283.8680 303.2025 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: 6256.06, 0.00391627/step Wall: 6256.06, 0.00391627/step, 1.03041 hours remaining, 114.218750 MB of memory in use. ENERGY: 1552800 666.2410 1807.6288 1953.3560 104.2115 2.0363 -1092.4745 0.0000 0.0000 2743.5503 6184.5494 303.0328 3440.9991 6219.9509 301.3244 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: 6256.84, 0.00391714/step Wall: 6256.84, 0.00391714/step, 1.03043 hours remaining, 114.218750 MB of memory in use. ENERGY: 1553000 656.5161 1877.3518 1938.6418 103.5585 2.6491 -1065.8152 0.0000 0.0000 2691.7803 6204.6823 297.3146 3512.9020 6235.7229 299.9729 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: 6257.62, 0.00391094/step Wall: 6257.62, 0.00391094/step, 1.02858 hours remaining, 114.218750 MB of memory in use. ENERGY: 1553200 655.0869 1814.8000 1923.7582 113.1206 2.9154 -1043.0761 0.0000 0.0000 2740.7313 6207.3363 302.7214 3466.6050 6243.0942 299.9653 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: 6258.41, 0.00391696/step Wall: 6258.41, 0.00391696/step, 1.02994 hours remaining, 114.218750 MB of memory in use. ENERGY: 1553400 654.9038 1799.6822 1936.7251 122.3599 2.7964 -1047.8372 0.0000 0.0000 2684.5947 6153.2249 296.5210 3468.6302 6184.9061 297.8436 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: 6259.19, 0.00391568/step Wall: 6259.19, 0.00391568/step, 1.02939 hours remaining, 114.218750 MB of memory in use. ENERGY: 1553600 691.1379 1816.4455 1951.6652 101.5041 2.0932 -1066.7670 0.0000 0.0000 2732.3561 6228.4350 301.7963 3496.0789 6262.9303 298.6341 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: 6259.97, 0.00391665/step Wall: 6259.97, 0.00391665/step, 1.02942 hours remaining, 114.218750 MB of memory in use. ENERGY: 1553800 661.4769 1836.9207 1974.5509 108.0194 2.8736 -1103.5557 0.0000 0.0000 2701.1958 6181.4816 298.3546 3480.2858 6213.5920 300.4076 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: 6260.75, 0.00391354/step Wall: 6260.75, 0.00391354/step, 1.02839 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1554000 649.8134 1811.0300 1950.2640 119.0639 1.6522 -1101.9833 0.0000 0.0000 2740.2527 6170.0928 302.6685 3429.8401 6206.8399 298.0933 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: 6261.54, 0.00391835/step Wall: 6261.54, 0.00391835/step, 1.02944 hours remaining, 114.218750 MB of memory in use. ENERGY: 1554200 644.3578 1850.7167 1952.2549 106.9695 2.5778 -1100.6913 0.0000 0.0000 2723.4404 6179.6259 300.8116 3456.1854 6211.7882 299.0954 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: 6262.32, 0.00391668/step Wall: 6262.32, 0.00391668/step, 1.02878 hours remaining, 114.218750 MB of memory in use. ENERGY: 1554400 661.1205 1799.8358 1979.7939 111.9782 3.2568 -1105.1963 0.0000 0.0000 2714.3887 6165.1776 299.8118 3450.7889 6198.6306 300.7725 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: 6263.11, 0.00391588/step Wall: 6263.11, 0.00391588/step, 1.02835 hours remaining, 114.218750 MB of memory in use. ENERGY: 1554600 674.5532 1876.1184 1974.4000 104.3508 2.1188 -1100.4368 0.0000 0.0000 2681.7937 6212.8981 296.2116 3531.1044 6243.8149 299.4188 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: 6263.89, 0.00391728/step Wall: 6263.89, 0.00391728/step, 1.0285 hours remaining, 114.218750 MB of memory in use. ENERGY: 1554800 665.2152 1801.4764 1947.1942 109.6936 3.1633 -1057.9653 0.0000 0.0000 2738.8639 6207.6414 302.5151 3468.7775 6240.8247 299.1019 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: 6264.67, 0.00391188/step Wall: 6264.67, 0.00391188/step, 1.02687 hours remaining, 114.218750 MB of memory in use. ENERGY: 1555000 645.9686 1877.8312 1978.9236 108.2295 2.9735 -1092.5254 0.0000 0.0000 2715.2793 6236.6802 299.9102 3521.4009 6271.3880 302.7160 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: 6265.45, 0.00391564/step Wall: 6265.45, 0.00391563/step, 1.02764 hours remaining, 114.218750 MB of memory in use. ENERGY: 1555200 640.2999 1839.6845 1944.8751 116.5188 2.4546 -1066.5793 0.0000 0.0000 2696.5217 6173.7752 297.8383 3477.2535 6208.3750 300.0311 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: 6266.24, 0.00391491/step Wall: 6266.24, 0.00391492/step, 1.02723 hours remaining, 114.218750 MB of memory in use. ENERGY: 1555400 643.0488 1888.7810 1964.3275 105.9754 2.2940 -1094.7213 0.0000 0.0000 2731.6781 6241.3836 301.7215 3509.7054 6274.1669 299.7788 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: 6267.02, 0.00391674/step Wall: 6267.02, 0.00391674/step, 1.02749 hours remaining, 114.218750 MB of memory in use. ENERGY: 1555600 658.4865 1900.9451 1974.0352 105.7827 0.5171 -1074.2726 0.0000 0.0000 2688.2377 6253.7317 296.9233 3565.4941 6286.3579 302.7840 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: 6267.8, 0.00391235/step Wall: 6267.8, 0.00391235/step, 1.02612 hours remaining, 114.218750 MB of memory in use. ENERGY: 1555800 636.8621 1890.9932 1980.0269 107.9486 1.5371 -1099.1709 0.0000 0.0000 2738.1241 6256.3210 302.4334 3518.1969 6291.0378 304.0238 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: 6268.59, 0.00391711/step Wall: 6268.59, 0.00391711/step, 1.02715 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1556000 653.5937 1871.3295 1961.6454 105.2287 2.9337 -1089.5919 0.0000 0.0000 2805.4386 6310.5776 309.8685 3505.1391 6345.4733 306.4508 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: 6269.37, 0.00391696/step Wall: 6269.37, 0.00391696/step, 1.0269 hours remaining, 114.218750 MB of memory in use. ENERGY: 1556200 676.8058 1925.2474 1965.0669 114.2022 3.1883 -1053.1368 0.0000 0.0000 2729.1009 6360.4747 301.4368 3631.3738 6392.4879 307.6654 LDB: ============= START OF LOAD BALANCING ============== 6272.07 LDB: ============== END OF LOAD BALANCING =============== 6272.07 LDB: =============== DONE WITH MIGRATION ================ 6272.07 LDB: ============= START OF LOAD BALANCING ============== 6272.46 LDB: ============== END OF LOAD BALANCING =============== 6272.46 LDB: =============== DONE WITH MIGRATION ================ 6272.46 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: 6270.15, 0.00391992/step Wall: 6270.15, 0.00391992/step, 1.02746 hours remaining, 114.218750 MB of memory in use. ENERGY: 1556400 668.7760 1838.9636 1968.3084 124.7762 2.6385 -1065.8599 0.0000 0.0000 2771.1029 6308.7057 306.0760 3537.6029 6342.8413 307.3640 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: 6270.94, 0.00391685/step Wall: 6270.94, 0.00391685/step, 1.02643 hours remaining, 114.218750 MB of memory in use. ENERGY: 1556600 661.0836 1862.0661 1966.3763 109.7161 4.6081 -1092.7167 0.0000 0.0000 2765.7368 6276.8703 305.4833 3511.1335 6310.2267 304.8036 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: 6271.72, 0.00391009/step Wall: 6271.72, 0.00391009/step, 1.02444 hours remaining, 114.218750 MB of memory in use. ENERGY: 1556800 666.7977 1847.9764 1929.2755 96.5254 1.7474 -1083.4125 0.0000 0.0000 2706.5278 6165.4377 298.9435 3458.9099 6199.9847 300.9840 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: 6272.5, 0.00391502/step Wall: 6272.5, 0.00391502/step, 1.02552 hours remaining, 114.218750 MB of memory in use. ENERGY: 1557000 650.2115 1842.7814 1952.3547 102.6967 1.7636 -1091.6186 0.0000 0.0000 2723.8301 6182.0194 300.8546 3458.1892 6216.1104 299.4590 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: 6273.29, 0.00391665/step Wall: 6273.29, 0.00391665/step, 1.02573 hours remaining, 114.218750 MB of memory in use. ENERGY: 1557200 638.8480 1865.0387 1952.8351 105.9204 3.1882 -1062.8997 0.0000 0.0000 2651.5983 6154.5290 292.8764 3502.9307 6187.4449 298.4238 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: 6274.07, 0.00391615/step Wall: 6274.07, 0.00391615/step, 1.02538 hours remaining, 114.218750 MB of memory in use. ENERGY: 1557400 641.1528 1802.5291 1968.6132 109.6669 2.6834 -1082.9645 0.0000 0.0000 2650.3037 6091.9847 292.7334 3441.6810 6123.5879 294.0817 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: 6274.85, 0.00391441/step Wall: 6274.85, 0.00391441/step, 1.02471 hours remaining, 114.218750 MB of memory in use. ENERGY: 1557600 628.0519 1798.7061 1981.7736 103.2909 3.6973 -1086.2331 0.0000 0.0000 2702.0301 6131.3167 298.4468 3429.2866 6163.5522 296.3658 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: 6275.63, 0.00391193/step Wall: 6275.63, 0.00391193/step, 1.02384 hours remaining, 114.218750 MB of memory in use. ENERGY: 1557800 626.8493 1877.6455 1972.5812 109.9446 2.9677 -1105.9810 0.0000 0.0000 2620.6208 6104.6281 289.4549 3484.0073 6134.8393 297.1733 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: 6276.42, 0.00391634/step Wall: 6276.42, 0.00391634/step, 1.02478 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1558000 642.8580 1831.4871 1964.1703 109.5715 3.0287 -1094.2822 0.0000 0.0000 2668.8627 6125.6960 294.7833 3456.8334 6156.4744 295.5959 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: 6277.2, 0.0039164/step Wall: 6277.2, 0.0039164/step, 1.02457 hours remaining, 114.218750 MB of memory in use. ENERGY: 1558200 655.7985 1838.1044 1956.3813 119.7473 2.4863 -1092.5791 0.0000 0.0000 2693.9527 6173.8914 297.5546 3479.9387 6204.5771 299.3142 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: 6277.98, 0.00392085/step Wall: 6277.98, 0.00392085/step, 1.02552 hours remaining, 114.218750 MB of memory in use. ENERGY: 1558400 655.8414 1835.7547 1944.1719 105.0207 3.4639 -1062.0961 0.0000 0.0000 2650.4789 6132.6354 292.7528 3482.1565 6164.2688 296.1988 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: 6278.77, 0.00391135/step Wall: 6278.77, 0.00391135/step, 1.02282 hours remaining, 114.218750 MB of memory in use. ENERGY: 1558600 646.2414 1792.8808 1956.1099 107.2367 2.2902 -1078.7359 0.0000 0.0000 2715.3878 6141.4109 299.9221 3426.0231 6176.7350 297.7661 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: 6279.55, 0.00391781/step Wall: 6279.55, 0.00391781/step, 1.02429 hours remaining, 114.218750 MB of memory in use. ENERGY: 1558800 673.2610 1835.5243 1962.6061 112.0612 1.7683 -1115.6376 0.0000 0.0000 2740.3741 6209.9574 302.6820 3469.5833 6240.5342 299.0595 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: 6280.33, 0.00391659/step Wall: 6280.33, 0.00391659/step, 1.02375 hours remaining, 114.218750 MB of memory in use. ENERGY: 1559000 642.2127 1828.4459 1932.9595 108.0889 2.0283 -1064.0029 0.0000 0.0000 2731.5196 6181.2521 301.7039 3449.7325 6214.1737 300.1343 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: 6281.12, 0.0039155/step Wall: 6281.12, 0.0039155/step, 1.02325 hours remaining, 114.218750 MB of memory in use. ENERGY: 1559200 638.6975 1842.2261 1949.4435 108.4593 2.1146 -1087.0242 0.0000 0.0000 2695.8043 6149.7210 297.7591 3453.9167 6181.8005 297.7122 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: 6281.9, 0.00391854/step Wall: 6281.9, 0.00391854/step, 1.02383 hours remaining, 114.218750 MB of memory in use. ENERGY: 1559400 632.5289 1836.0064 1956.0652 117.3474 2.3814 -1100.9393 0.0000 0.0000 2662.1255 6105.5155 294.0392 3443.3900 6136.2298 297.0607 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: 6282.68, 0.00391017/step Wall: 6282.68, 0.00391017/step, 1.02142 hours remaining, 114.218750 MB of memory in use. ENERGY: 1559600 614.9782 1800.0499 1959.3121 106.2128 1.7008 -1092.6240 0.0000 0.0000 2682.0164 6071.6462 296.2362 3389.6298 6102.6194 294.1274 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: 6283.47, 0.0039172/step Wall: 6283.47, 0.0039172/step, 1.02304 hours remaining, 114.218750 MB of memory in use. ENERGY: 1559800 688.3462 1738.1162 1966.6570 119.0380 2.3311 -1074.0672 0.0000 0.0000 2659.8581 6100.2795 293.7887 3440.4213 6132.2068 295.2384 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: 6284.25, 0.00391446/step Wall: 6284.25, 0.00391446/step, 1.02211 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1560000 654.1542 1793.9590 1959.9417 112.7544 3.2205 -1094.6274 0.0000 0.0000 2668.2910 6097.6934 294.7202 3429.4024 6130.5204 294.6623 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1560000 WRITING COORDINATES TO DCD FILE MD.1.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: 6285.07, 0.00410066/step Wall: 6285.07, 0.00410066/step, 1.0705 hours remaining, 114.218750 MB of memory in use. ENERGY: 1560200 667.8610 1778.1562 1932.7638 115.8514 2.3794 -1075.2824 0.0000 0.0000 2680.5147 6102.2440 296.0703 3421.7294 6136.0653 295.2650 LDB: ============= START OF LOAD BALANCING ============== 6287.77 LDB: ============== END OF LOAD BALANCING =============== 6287.77 LDB: =============== DONE WITH MIGRATION ================ 6287.77 LDB: ============= START OF LOAD BALANCING ============== 6288.16 LDB: ============== END OF LOAD BALANCING =============== 6288.16 LDB: =============== DONE WITH MIGRATION ================ 6288.16 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: 6285.85, 0.00391482/step Wall: 6285.85, 0.00391482/step, 1.02177 hours remaining, 114.218750 MB of memory in use. ENERGY: 1560400 686.9867 1836.1617 1942.8635 99.8090 2.2151 -1091.7366 0.0000 0.0000 2656.4412 6132.7407 293.4113 3476.2994 6164.4845 296.3314 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: 6286.64, 0.00391608/step Wall: 6286.64, 0.00391608/step, 1.02188 hours remaining, 114.218750 MB of memory in use. ENERGY: 1560600 681.6649 1846.9326 1964.0650 107.2869 3.0983 -1090.2982 0.0000 0.0000 2624.7047 6137.4542 289.9059 3512.7495 6168.3638 295.6150 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: 6287.42, 0.00391698/step Wall: 6287.42, 0.00391698/step, 1.0219 hours remaining, 114.218750 MB of memory in use. ENERGY: 1560800 669.4093 1838.0860 1951.4897 112.2451 3.8538 -1084.2107 0.0000 0.0000 2662.8013 6153.6744 294.1138 3490.8730 6186.2710 296.1137 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: 6288.2, 0.00391524/step Wall: 6288.2, 0.00391524/step, 1.02122 hours remaining, 114.218750 MB of memory in use. ENERGY: 1561000 639.0578 1784.2665 1931.0836 100.4126 2.5257 -1065.6398 0.0000 0.0000 2723.7897 6115.4962 300.8502 3391.7065 6150.3622 296.9549 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: 6288.99, 0.00391747/step Wall: 6288.99, 0.00391748/step, 1.02159 hours remaining, 114.218750 MB of memory in use. ENERGY: 1561200 652.9700 1832.0218 1934.4858 117.6433 3.4519 -1101.3094 0.0000 0.0000 2678.0039 6117.2672 295.7930 3439.2634 6151.1279 296.0394 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: 6289.77, 0.00391211/step Wall: 6289.77, 0.00391211/step, 1.01997 hours remaining, 114.218750 MB of memory in use. ENERGY: 1561400 659.7753 1838.8845 1960.5740 90.7762 2.8653 -1085.1367 0.0000 0.0000 2707.5151 6175.2536 299.0526 3467.7386 6208.8571 297.9600 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: 6290.55, 0.00391764/step Wall: 6290.55, 0.00391764/step, 1.0212 hours remaining, 114.218750 MB of memory in use. ENERGY: 1561600 633.2416 1858.7463 1956.3846 110.0263 2.0244 -1048.7909 0.0000 0.0000 2670.4008 6182.0330 294.9532 3511.6323 6212.4910 298.7393 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: 6291.33, 0.00391688/step Wall: 6291.33, 0.00391688/step, 1.02078 hours remaining, 114.218750 MB of memory in use. ENERGY: 1561800 646.3285 1807.5065 1967.1932 102.9845 2.8017 -1089.5781 0.0000 0.0000 2693.9017 6131.1379 297.5489 3437.2362 6164.9242 299.4087 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: 6292.12, 0.00391611/step Wall: 6292.12, 0.00391611/step, 1.02037 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1562000 627.4355 1821.7201 1947.9652 106.2173 2.7055 -1097.8154 0.0000 0.0000 2684.1005 6092.3287 296.4664 3408.2282 6124.7939 295.9827 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: 6292.9, 0.00391779/step Wall: 6292.9, 0.00391779/step, 1.02058 hours remaining, 114.218750 MB of memory in use. ENERGY: 1562200 658.3477 1825.8187 1934.3290 105.7604 3.0503 -1076.8378 0.0000 0.0000 2674.4842 6124.9525 295.4042 3450.4683 6156.3362 295.2108 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: 6293.68, 0.00391241/step Wall: 6293.68, 0.00391241/step, 1.01897 hours remaining, 114.218750 MB of memory in use. ENERGY: 1562400 668.8148 1836.3910 1937.0420 115.6074 2.9079 -1082.6504 0.0000 0.0000 2683.1824 6161.2951 296.3650 3478.1127 6195.6602 298.0384 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: 6294.47, 0.00391856/step Wall: 6294.47, 0.00391856/step, 1.02035 hours remaining, 114.218750 MB of memory in use. ENERGY: 1562600 671.1631 1848.6528 1954.8210 100.5853 3.7629 -1092.5501 0.0000 0.0000 2731.2781 6217.7131 301.6773 3486.4350 6252.3667 300.2208 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: 6295.25, 0.00391693/step Wall: 6295.25, 0.00391693/step, 1.01971 hours remaining, 114.218750 MB of memory in use. ENERGY: 1562800 671.8977 1845.3809 1952.7987 102.0371 3.6714 -1123.5516 0.0000 0.0000 2710.3392 6162.5735 299.3645 3452.2343 6195.2464 300.1730 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: 6296.03, 0.00391641/step Wall: 6296.03, 0.00391641/step, 1.01935 hours remaining, 114.218750 MB of memory in use. ENERGY: 1563000 665.2783 1877.0876 1953.8911 105.3153 3.4971 -1106.6725 0.0000 0.0000 2685.0950 6183.4920 296.5762 3498.3970 6214.7792 300.5611 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: 6296.82, 0.0039125/step Wall: 6296.82, 0.0039125/step, 1.01812 hours remaining, 114.218750 MB of memory in use. ENERGY: 1563200 645.3741 1855.8252 1956.5528 114.5630 3.4251 -1085.5384 0.0000 0.0000 2706.1849 6196.3868 298.9057 3490.2019 6228.6048 300.6410 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: 6297.6, 0.00391678/step Wall: 6297.6, 0.00391678/step, 1.01902 hours remaining, 114.218750 MB of memory in use. ENERGY: 1563400 690.4983 1876.1437 1973.1161 100.4714 2.2382 -1130.5668 0.0000 0.0000 2721.7962 6233.6971 300.6300 3511.9009 6265.6765 302.7076 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: 6298.38, 0.00391641/step Wall: 6298.38, 0.00391641/step, 1.0187 hours remaining, 114.218750 MB of memory in use. ENERGY: 1563600 654.7725 1848.7694 1940.0007 116.1714 3.4151 -1092.8598 0.0000 0.0000 2817.5692 6287.8386 311.2084 3470.2694 6321.3024 303.6054 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: 6299.17, 0.00391638/step Wall: 6299.17, 0.00391638/step, 1.01848 hours remaining, 114.218750 MB of memory in use. ENERGY: 1563800 641.7548 1867.0456 1966.7993 104.9984 3.4164 -1072.6840 0.0000 0.0000 2762.5786 6273.9091 305.1345 3511.3305 6307.7840 303.8856 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: 6299.95, 0.00391806/step Wall: 6299.95, 0.00391806/step, 1.0187 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1564000 647.7903 1882.9718 1979.6448 111.9319 3.3685 -1093.9980 0.0000 0.0000 2708.5727 6240.2821 299.1694 3531.7094 6272.8620 302.1639 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: 6300.73, 0.00391109/step Wall: 6300.73, 0.00391109/step, 1.01666 hours remaining, 114.218750 MB of memory in use. ENERGY: 1564200 644.4675 1851.2451 1976.0010 103.2290 2.8135 -1076.4343 0.0000 0.0000 2716.5258 6217.8475 300.0478 3501.3217 6249.2785 302.2430 LDB: ============= START OF LOAD BALANCING ============== 6303.43 LDB: ============== END OF LOAD BALANCING =============== 6303.43 LDB: =============== DONE WITH MIGRATION ================ 6303.43 LDB: ============= START OF LOAD BALANCING ============== 6303.83 LDB: ============== END OF LOAD BALANCING =============== 6303.83 LDB: =============== DONE WITH MIGRATION ================ 6303.83 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: 6301.52, 0.00392977/step Wall: 6301.52, 0.00392977/step, 1.0213 hours remaining, 114.218750 MB of memory in use. ENERGY: 1564400 668.2923 1848.3461 1929.1284 107.4452 2.1665 -1092.1936 0.0000 0.0000 2743.2867 6206.4716 303.0037 3463.1850 6241.3363 300.9334 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: 6302.3, 0.00391886/step Wall: 6302.3, 0.00391886/step, 1.01825 hours remaining, 114.218750 MB of memory in use. ENERGY: 1564600 657.0540 1839.7077 1954.0529 105.3360 3.0572 -1085.0660 0.0000 0.0000 2724.6957 6198.8375 300.9502 3474.1418 6233.1856 299.4416 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: 6303.09, 0.00392169/step Wall: 6303.09, 0.00392169/step, 1.01877 hours remaining, 114.218750 MB of memory in use. ENERGY: 1564800 666.3056 1829.2788 1965.0692 114.3735 2.5678 -1035.6543 0.0000 0.0000 2697.9994 6239.9400 298.0015 3541.9407 6271.4337 301.2933 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: 6303.87, 0.00391051/step Wall: 6303.87, 0.00391051/step, 1.01565 hours remaining, 114.218750 MB of memory in use. ENERGY: 1565000 634.2124 1900.4506 1966.5958 114.0677 3.4519 -1089.3705 0.0000 0.0000 2768.4840 6297.8921 305.7868 3529.4081 6331.4602 303.9060 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: 6304.65, 0.00391959/step Wall: 6304.65, 0.00391959/step, 1.01779 hours remaining, 114.218750 MB of memory in use. ENERGY: 1565200 653.2947 1880.8819 1960.7151 113.4732 2.1679 -1104.9418 0.0000 0.0000 2726.8457 6232.4368 301.1877 3505.5911 6264.9892 304.5432 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: 6305.44, 0.00391852/step Wall: 6305.44, 0.00391852/step, 1.01729 hours remaining, 114.218750 MB of memory in use. ENERGY: 1565400 632.5383 1840.7777 1945.3382 107.6768 3.9324 -1082.9222 0.0000 0.0000 2740.0145 6187.3556 302.6422 3447.3411 6219.9226 300.8099 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: 6306.22, 0.00391729/step Wall: 6306.22, 0.00391729/step, 1.01675 hours remaining, 114.218750 MB of memory in use. ENERGY: 1565600 674.2994 1823.1314 1943.9572 91.1504 3.8545 -1120.8113 0.0000 0.0000 2752.0474 6167.6288 303.9713 3415.5815 6198.7576 298.7765 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: 6307, 0.00391848/step Wall: 6307, 0.00391847/step, 1.01684 hours remaining, 114.218750 MB of memory in use. ENERGY: 1565800 640.7691 1797.8213 1982.6406 112.6012 3.3799 -1073.2329 0.0000 0.0000 2679.9124 6143.8916 296.0038 3463.9791 6176.7611 296.2314 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: 6307.79, 0.0039106/step Wall: 6307.79, 0.0039106/step, 1.01458 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1566000 666.9660 1834.9598 1955.8329 104.3229 4.1913 -1087.0826 0.0000 0.0000 2655.3796 6134.5698 293.2941 3479.1902 6167.5633 296.0989 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: 6308.57, 0.00393286/step Wall: 6308.57, 0.00393286/step, 1.02014 hours remaining, 114.218750 MB of memory in use. ENERGY: 1566200 657.5080 1864.0433 1932.8987 108.1661 3.6508 -1052.6136 0.0000 0.0000 2666.9782 6180.6315 294.5752 3513.6533 6212.4236 297.5470 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: 6309.36, 0.00391959/step Wall: 6309.36, 0.00391959/step, 1.01648 hours remaining, 114.218750 MB of memory in use. ENERGY: 1566400 649.0315 1843.1887 1956.8223 115.0569 2.7084 -1073.6055 0.0000 0.0000 2708.2503 6201.4526 299.1338 3493.2023 6233.1271 299.2958 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: 6310.14, 0.00391929/step Wall: 6310.14, 0.00391929/step, 1.01618 hours remaining, 114.218750 MB of memory in use. ENERGY: 1566600 627.4783 1862.8282 1968.8617 118.5401 4.2619 -1089.2564 0.0000 0.0000 2685.0459 6177.7597 296.5708 3492.7138 6209.4717 299.0490 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: 6310.92, 0.00391639/step Wall: 6310.92, 0.00391639/step, 1.01522 hours remaining, 114.218750 MB of memory in use. ENERGY: 1566800 655.7105 1841.1306 1950.2390 111.6513 4.0142 -1107.3721 0.0000 0.0000 2725.3146 6180.6881 301.0186 3455.3735 6213.5183 299.6611 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: 6311.71, 0.00391553/step Wall: 6311.71, 0.00391553/step, 1.01477 hours remaining, 114.218750 MB of memory in use. ENERGY: 1567000 669.5717 1816.7146 1948.6064 115.0768 4.6715 -1088.4941 0.0000 0.0000 2727.5249 6193.6718 301.2627 3466.1469 6229.1919 298.7004 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: 6312.49, 0.00391969/step Wall: 6312.49, 0.00391969/step, 1.01564 hours remaining, 114.218750 MB of memory in use. ENERGY: 1567200 623.8927 1886.4563 1947.3797 105.0670 3.3094 -1117.2461 0.0000 0.0000 2740.4469 6189.3058 302.6900 3448.8589 6221.7550 300.5705 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: 6313.27, 0.00391811/step Wall: 6313.27, 0.00391811/step, 1.01501 hours remaining, 114.218750 MB of memory in use. ENERGY: 1567400 658.0655 1864.7383 1954.9150 118.9375 2.9910 -1122.4404 0.0000 0.0000 2730.9662 6208.1731 301.6428 3477.2069 6240.9156 300.9940 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: 6314.06, 0.00391855/step Wall: 6314.06, 0.00391855/step, 1.0149 hours remaining, 114.218750 MB of memory in use. ENERGY: 1567600 627.8966 1889.0610 1940.6830 106.2554 3.5763 -1054.3604 0.0000 0.0000 2708.9507 6222.0627 299.2112 3513.1120 6255.5204 300.6008 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: 6314.84, 0.00391266/step Wall: 6314.84, 0.00391266/step, 1.01316 hours remaining, 114.218750 MB of memory in use. ENERGY: 1567800 677.1494 1833.4334 1958.6086 104.7241 2.3009 -1078.9815 0.0000 0.0000 2703.0916 6200.3266 298.5640 3497.2350 6234.3651 301.9549 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: 6315.62, 0.003919/step Wall: 6315.62, 0.003919/step, 1.01459 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1568000 633.0961 1856.0663 1973.1358 113.5485 1.9874 -1106.7355 0.0000 0.0000 2760.1045 6231.2033 304.8612 3471.0987 6266.4341 300.8621 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: 6316.41, 0.00392135/step Wall: 6316.41, 0.00392135/step, 1.01498 hours remaining, 114.218750 MB of memory in use. ENERGY: 1568200 656.6398 1834.1690 1957.9500 100.2562 1.7078 -1102.7227 0.0000 0.0000 2780.3033 6228.3034 307.0922 3448.0001 6265.2323 301.7464 LDB: ============= START OF LOAD BALANCING ============== 6319.11 LDB: ============== END OF LOAD BALANCING =============== 6319.11 LDB: =============== DONE WITH MIGRATION ================ 6319.11 LDB: ============= START OF LOAD BALANCING ============== 6319.5 LDB: ============== END OF LOAD BALANCING =============== 6319.5 LDB: =============== DONE WITH MIGRATION ================ 6319.5 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: 6317.19, 0.00392467/step Wall: 6317.19, 0.00392467/step, 1.01562 hours remaining, 114.218750 MB of memory in use. ENERGY: 1568400 650.2589 1820.4238 1945.3780 124.3690 2.8657 -1056.8334 0.0000 0.0000 2742.3563 6228.8183 302.9009 3486.4620 6265.0788 301.8925 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: 6317.98, 0.00392758/step Wall: 6317.98, 0.00392758/step, 1.01615 hours remaining, 114.218750 MB of memory in use. ENERGY: 1568600 670.0749 1837.3084 1977.8458 108.2335 1.9063 -1099.8382 0.0000 0.0000 2787.5135 6283.0443 307.8886 3495.5309 6317.4207 303.8098 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: 6318.76, 0.00391409/step Wall: 6318.76, 0.00391409/step, 1.01244 hours remaining, 114.218750 MB of memory in use. ENERGY: 1568800 642.5843 1837.1644 1972.1593 124.1455 3.3800 -1099.4536 0.0000 0.0000 2707.3326 6187.3125 299.0324 3479.9799 6221.4767 302.9427 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: 6319.54, 0.00391781/step Wall: 6319.54, 0.00391781/step, 1.01319 hours remaining, 114.218750 MB of memory in use. ENERGY: 1569000 613.6969 1837.7865 1957.1754 103.2575 4.0973 -1066.4347 0.0000 0.0000 2726.8783 6176.4571 301.1913 3449.5788 6209.7068 299.0723 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: 6320.33, 0.00391836/step Wall: 6320.33, 0.00391836/step, 1.01311 hours remaining, 114.218750 MB of memory in use. ENERGY: 1569200 661.4756 1836.1056 1919.1969 108.4142 4.3031 -1104.5271 0.0000 0.0000 2742.2543 6167.2226 302.8896 3424.9683 6200.5949 299.1823 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: 6321.11, 0.00391675/step Wall: 6321.11, 0.00391675/step, 1.01248 hours remaining, 114.218750 MB of memory in use. ENERGY: 1569400 643.6394 1855.8015 1978.6267 112.4068 4.2517 -1123.8957 0.0000 0.0000 2714.3879 6185.2183 299.8117 3470.8304 6216.7347 300.1324 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: 6321.89, 0.00391071/step Wall: 6321.89, 0.00391071/step, 1.0107 hours remaining, 114.218750 MB of memory in use. ENERGY: 1569600 602.8178 1856.5467 1949.8053 110.0889 3.9508 -1080.8405 0.0000 0.0000 2654.6654 6097.0344 293.2152 3442.3690 6128.1447 297.9671 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: 6322.68, 0.00391536/step Wall: 6322.68, 0.00391536/step, 1.01169 hours remaining, 114.218750 MB of memory in use. ENERGY: 1569800 650.8427 1794.2976 1967.3302 104.3310 3.4281 -1118.9516 0.0000 0.0000 2698.6926 6099.9707 298.0781 3401.2781 6134.6520 294.2568 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: 6323.46, 0.00391643/step Wall: 6323.46, 0.00391643/step, 1.01175 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1570000 645.5795 1886.0093 1953.0810 125.1751 3.3779 -1102.5584 0.0000 0.0000 2646.9697 6157.6340 292.3652 3510.6644 6189.0534 297.8586 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1570000 WRITING COORDINATES TO DCD FILE MD.1.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: 6324.3, 0.00420928/step Wall: 6324.3, 0.00420927/step, 1.08716 hours remaining, 114.218750 MB of memory in use. ENERGY: 1570200 640.9767 1837.3654 1934.7523 104.0354 4.2712 -1064.6693 0.0000 0.0000 2667.5566 6124.2884 294.6391 3456.7318 6157.3707 297.4611 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: 6325.09, 0.00391582/step Wall: 6325.09, 0.00391583/step, 1.01115 hours remaining, 114.218750 MB of memory in use. ENERGY: 1570400 626.4918 1846.5320 1947.9542 108.1842 1.4726 -1061.2117 0.0000 0.0000 2693.6197 6163.0427 297.5178 3469.4230 6195.9627 297.0119 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: 6325.87, 0.00390992/step Wall: 6325.87, 0.00390992/step, 1.00941 hours remaining, 114.218750 MB of memory in use. ENERGY: 1570600 636.4450 1839.7199 1939.5916 101.0930 2.1302 -1069.6089 0.0000 0.0000 2731.1711 6180.5419 301.6655 3449.3708 6215.2841 298.8084 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: 6326.65, 0.00391644/step Wall: 6326.65, 0.00391644/step, 1.01088 hours remaining, 114.218750 MB of memory in use. ENERGY: 1570800 627.9700 1799.8530 1968.7299 117.1314 3.3293 -1088.4978 0.0000 0.0000 2743.6423 6172.1580 303.0429 3428.5157 6206.7876 301.1876 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: 6327.43, 0.00391576/step Wall: 6327.43, 0.00391576/step, 1.01048 hours remaining, 114.218750 MB of memory in use. ENERGY: 1571000 639.8714 1810.0330 1978.3177 111.3750 2.7794 -1069.7577 0.0000 0.0000 2799.5754 6272.1943 309.2209 3472.6189 6306.1415 303.1364 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: 6328.22, 0.00391472/step Wall: 6328.22, 0.00391472/step, 1.01 hours remaining, 114.218750 MB of memory in use. ENERGY: 1571200 678.3815 1829.7232 1972.6785 103.5438 2.4354 -1048.8101 0.0000 0.0000 2753.9770 6291.9292 304.1844 3537.9523 6327.4823 303.0950 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: 6329, 0.00391635/step Wall: 6329, 0.00391635/step, 1.0102 hours remaining, 114.218750 MB of memory in use. ENERGY: 1571400 663.2179 1862.9878 1954.7350 111.1046 3.2138 -1083.6766 0.0000 0.0000 2736.8100 6248.3925 302.2883 3511.5825 6282.3961 303.8478 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: 6329.78, 0.00391069/step Wall: 6329.78, 0.00391069/step, 1.00852 hours remaining, 114.218750 MB of memory in use. ENERGY: 1571600 645.2198 1849.6583 1980.4211 106.4343 2.5089 -1091.6092 0.0000 0.0000 2736.7127 6229.3459 302.2775 3492.6332 6261.7608 303.0531 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: 6330.57, 0.00391451/step Wall: 6330.57, 0.00391451/step, 1.00929 hours remaining, 114.218750 MB of memory in use. ENERGY: 1571800 633.3104 1804.7787 1967.8532 109.6951 1.8235 -1055.9697 0.0000 0.0000 2768.7754 6230.2665 305.8190 3461.4911 6264.3185 302.1320 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: 6331.35, 0.003915/step Wall: 6331.35, 0.003915/step, 1.0092 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1572000 630.5807 1889.1323 1975.0681 107.7750 2.5315 -1106.9388 0.0000 0.0000 2725.2286 6223.3774 301.0091 3498.1487 6258.9420 303.4230 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: 6332.13, 0.00391361/step Wall: 6332.13, 0.00391361/step, 1.00863 hours remaining, 114.218750 MB of memory in use. ENERGY: 1572200 650.0534 1890.8859 1967.7338 112.5918 1.6632 -1091.2080 0.0000 0.0000 2748.5769 6280.2971 303.5880 3531.7202 6314.5856 303.0843 LDB: ============= START OF LOAD BALANCING ============== 6334.83 LDB: ============== END OF LOAD BALANCING =============== 6334.83 LDB: =============== DONE WITH MIGRATION ================ 6334.83 LDB: ============= START OF LOAD BALANCING ============== 6335.22 LDB: ============== END OF LOAD BALANCING =============== 6335.22 LDB: =============== DONE WITH MIGRATION ================ 6335.22 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: 6332.91, 0.00391369/step Wall: 6332.91, 0.00391369/step, 1.00843 hours remaining, 114.218750 MB of memory in use. ENERGY: 1572400 653.9870 1839.6397 1940.8735 112.7142 2.1988 -1050.3292 0.0000 0.0000 2731.1776 6230.2616 301.6662 3499.0840 6260.8674 302.5034 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: 6333.7, 0.00391372/step Wall: 6333.7, 0.00391372/step, 1.00822 hours remaining, 114.218750 MB of memory in use. ENERGY: 1572600 686.7574 1838.7120 1960.3335 108.1922 2.8283 -1082.8785 0.0000 0.0000 2713.5081 6227.4530 299.7145 3513.9449 6260.8472 301.5622 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: 6334.48, 0.0039143/step Wall: 6334.48, 0.0039143/step, 1.00815 hours remaining, 114.218750 MB of memory in use. ENERGY: 1572800 672.0849 1845.8917 1974.0079 104.5911 2.4872 -1116.8007 0.0000 0.0000 2716.4181 6198.6802 300.0359 3482.2621 6230.5848 302.5593 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: 6335.26, 0.00391384/step Wall: 6335.26, 0.00391384/step, 1.00781 hours remaining, 114.218750 MB of memory in use. ENERGY: 1573000 676.9077 1798.0093 1973.5915 115.7838 3.7876 -1110.9959 0.0000 0.0000 2742.3032 6199.3873 302.8950 3457.0841 6234.1080 300.4271 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: 6336.04, 0.003914/step Wall: 6336.04, 0.003914/step, 1.00764 hours remaining, 114.218750 MB of memory in use. ENERGY: 1573200 646.7533 1805.7955 1959.2178 112.6428 4.2898 -1085.4433 0.0000 0.0000 2683.1850 6126.4409 296.3653 3443.2559 6160.5425 297.2098 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: 6336.83, 0.00391004/step Wall: 6336.83, 0.00391004/step, 1.0064 hours remaining, 114.218750 MB of memory in use. ENERGY: 1573400 666.6863 1805.8832 1955.5366 115.4667 2.7155 -1092.8818 0.0000 0.0000 2658.2582 6111.6647 293.6120 3453.4065 6144.6699 295.4309 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: 6337.61, 0.00391404/step Wall: 6337.61, 0.00391404/step, 1.00721 hours remaining, 114.218750 MB of memory in use. ENERGY: 1573600 663.1931 1852.0132 1957.2044 105.5335 3.5236 -1075.6803 0.0000 0.0000 2630.0673 6135.8546 290.4983 3505.7874 6167.8883 296.5460 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: 6338.39, 0.00391556/step Wall: 6338.39, 0.00391556/step, 1.00739 hours remaining, 114.218750 MB of memory in use. ENERGY: 1573800 637.3792 1798.8991 1931.9495 113.2268 2.5339 -1078.6073 0.0000 0.0000 2700.8018 6106.1830 298.3111 3405.3812 6139.5949 296.4685 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: 6339.18, 0.00391516/step Wall: 6339.18, 0.00391516/step, 1.00707 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1574000 642.1513 1817.6058 1946.5627 101.8094 2.7570 -1100.5690 0.0000 0.0000 2644.3688 6054.6861 292.0779 3410.3172 6086.7512 293.4375 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: 6339.96, 0.00391048/step Wall: 6339.96, 0.00391048/step, 1.00564 hours remaining, 114.218750 MB of memory in use. ENERGY: 1574200 620.0408 1784.9476 1935.4871 107.3035 3.2915 -1057.3641 0.0000 0.0000 2690.1677 6083.8741 297.1365 3393.7064 6116.8120 293.4065 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: 6340.74, 0.00391512/step Wall: 6340.74, 0.00391512/step, 1.00662 hours remaining, 114.218750 MB of memory in use. ENERGY: 1574400 677.2616 1800.3253 1979.1578 106.1248 2.2988 -1124.2219 0.0000 0.0000 2746.5321 6187.4785 303.3621 3440.9464 6221.4209 296.4577 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: 6341.52, 0.00391518/step Wall: 6341.52, 0.00391518/step, 1.00642 hours remaining, 114.218750 MB of memory in use. ENERGY: 1574600 657.6184 1815.4678 1958.9736 100.4494 2.1449 -1083.2973 0.0000 0.0000 2718.3609 6169.7177 300.2505 3451.3568 6201.6296 299.4321 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: 6342.31, 0.00391599/step Wall: 6342.31, 0.00391599/step, 1.00641 hours remaining, 114.218750 MB of memory in use. ENERGY: 1574800 645.6042 1870.9869 1953.3990 109.5018 2.5621 -1088.1547 0.0000 0.0000 2667.6798 6161.5792 294.6527 3493.8993 6192.1451 297.8367 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: 6343.09, 0.00391606/step Wall: 6343.09, 0.00391605/step, 1.00621 hours remaining, 114.218750 MB of memory in use. ENERGY: 1575000 672.3853 1867.3953 1927.2110 112.7237 4.1912 -1064.7066 0.0000 0.0000 2722.9565 6242.1564 300.7581 3519.2000 6275.3758 300.6854 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: 6343.87, 0.00390905/step Wall: 6343.87, 0.00390906/step, 1.00419 hours remaining, 114.218750 MB of memory in use. ENERGY: 1575200 663.7310 1866.6008 1962.4093 113.5372 2.4743 -1055.6834 0.0000 0.0000 2724.6852 6277.7545 300.9491 3553.0692 6310.0483 302.3781 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: 6344.65, 0.00391401/step Wall: 6344.65, 0.00391401/step, 1.00525 hours remaining, 114.218750 MB of memory in use. ENERGY: 1575400 718.5762 1837.7960 1951.3522 107.1969 2.4745 -1112.9766 0.0000 0.0000 2763.8866 6268.3058 305.2790 3504.4191 6300.3242 302.3223 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: 6345.44, 0.0039141/step Wall: 6345.44, 0.0039141/step, 1.00505 hours remaining, 114.218750 MB of memory in use. ENERGY: 1575600 679.6916 1913.8716 1959.9881 94.8554 3.3335 -1080.6812 0.0000 0.0000 2683.3652 6254.4242 296.3852 3571.0590 6287.5218 302.3767 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: 6346.22, 0.00391559/step Wall: 6346.22, 0.00391559/step, 1.00522 hours remaining, 114.218750 MB of memory in use. ENERGY: 1575800 618.1029 1876.3812 1934.0495 100.3760 2.9670 -1056.6269 0.0000 0.0000 2750.2772 6225.5269 303.7758 3475.2498 6256.0574 300.9107 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: 6347, 0.00391631/step Wall: 6347, 0.00391631/step, 1.00519 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1576000 681.2052 1848.9353 1954.3508 114.8717 2.1954 -1096.1674 0.0000 0.0000 2727.2900 6232.6810 301.2368 3505.3910 6266.6195 300.1481 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: 6347.79, 0.00391088/step Wall: 6347.79, 0.00391088/step, 1.00358 hours remaining, 114.218750 MB of memory in use. ENERGY: 1576200 680.1174 1886.5326 1947.1161 101.9874 2.4206 -1120.7927 0.0000 0.0000 2724.6759 6222.0572 300.9480 3497.3813 6255.3473 301.0631 LDB: ============= START OF LOAD BALANCING ============== 6350.49 LDB: ============== END OF LOAD BALANCING =============== 6350.49 LDB: =============== DONE WITH MIGRATION ================ 6350.49 LDB: ============= START OF LOAD BALANCING ============== 6350.88 LDB: ============== END OF LOAD BALANCING =============== 6350.88 LDB: =============== DONE WITH MIGRATION ================ 6350.88 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: 6348.57, 0.00392179/step Wall: 6348.57, 0.00392179/step, 1.00616 hours remaining, 114.218750 MB of memory in use. ENERGY: 1576400 701.0708 1828.4664 1958.4043 100.6377 2.6955 -1072.9435 0.0000 0.0000 2726.0703 6244.4016 301.1021 3518.3312 6278.8862 301.0598 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: 6349.35, 0.00391728/step Wall: 6349.35, 0.00391728/step, 1.00478 hours remaining, 114.218750 MB of memory in use. ENERGY: 1576600 669.8374 1865.7517 1941.0813 124.8360 3.3320 -1064.6388 0.0000 0.0000 2713.8749 6254.0746 299.7550 3540.1997 6288.5289 300.7424 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: 6350.14, 0.003917/step Wall: 6350.14, 0.003917/step, 1.00449 hours remaining, 114.218750 MB of memory in use. ENERGY: 1576800 702.0231 1902.4851 1968.9953 112.1773 4.4670 -1084.1201 0.0000 0.0000 2705.5125 6311.5402 298.8314 3606.0277 6342.0499 303.8803 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: 6350.92, 0.00391209/step Wall: 6350.92, 0.00391209/step, 1.00302 hours remaining, 114.218750 MB of memory in use. ENERGY: 1577000 637.2825 1878.4837 1978.5396 104.1362 3.8578 -1053.7365 0.0000 0.0000 2772.8606 6321.4239 306.2702 3548.5633 6353.9223 305.5199 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: 6351.7, 0.00391645/step Wall: 6351.7, 0.00391645/step, 1.00392 hours remaining, 114.218750 MB of memory in use. ENERGY: 1577200 638.5707 1898.4510 1932.1167 116.2056 3.9463 -1095.2652 0.0000 0.0000 2767.2381 6261.2632 305.6492 3494.0251 6297.1812 304.4093 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: 6352.49, 0.00391664/step Wall: 6352.49, 0.00391664/step, 1.00375 hours remaining, 114.218750 MB of memory in use. ENERGY: 1577400 675.1586 1861.2953 1967.2807 101.0842 2.7916 -1073.6580 0.0000 0.0000 2677.3654 6211.3178 295.7225 3533.9524 6245.1034 301.3141 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: 6353.27, 0.00391529/step Wall: 6353.27, 0.00391529/step, 1.00318 hours remaining, 114.218750 MB of memory in use. ENERGY: 1577600 676.8241 1834.7320 1934.0886 111.1511 3.3371 -1082.7677 0.0000 0.0000 2743.7947 6221.1599 303.0598 3477.3652 6254.0614 301.9682 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: 6354.05, 0.00391763/step Wall: 6354.05, 0.00391763/step, 1.00357 hours remaining, 114.218750 MB of memory in use. ENERGY: 1577800 679.6710 1817.3433 1916.1289 107.8309 3.1523 -1097.5378 0.0000 0.0000 2748.8472 6175.4358 303.6178 3426.5886 6211.1903 299.2272 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: 6354.84, 0.0039129/step Wall: 6354.84, 0.0039129/step, 1.00214 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1578000 622.9512 1871.0839 1947.3588 98.6788 3.8160 -1083.6948 0.0000 0.0000 2684.1264 6144.3202 296.4692 3460.1938 6177.0844 299.0589 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: 6355.62, 0.00391652/step Wall: 6355.62, 0.00391652/step, 1.00285 hours remaining, 114.218750 MB of memory in use. ENERGY: 1578200 667.8597 1865.7403 1971.9309 112.7763 1.2176 -1112.7053 0.0000 0.0000 2647.3681 6154.1876 292.4092 3506.8195 6186.4034 297.3317 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: 6356.4, 0.0039146/step Wall: 6356.4, 0.0039146/step, 1.00214 hours remaining, 114.218750 MB of memory in use. ENERGY: 1578400 658.0058 1860.0416 1943.2419 112.0234 2.1430 -1098.5099 0.0000 0.0000 2696.3685 6173.3143 297.8214 3476.9457 6204.9310 298.9221 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: 6357.18, 0.00391573/step Wall: 6357.18, 0.00391573/step, 1.00221 hours remaining, 114.218750 MB of memory in use. ENERGY: 1578600 666.2063 1805.8406 1941.6312 118.5811 2.7552 -1066.5200 0.0000 0.0000 2727.6194 6196.1139 301.2732 3468.4945 6228.5727 298.3478 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: 6357.97, 0.00391109/step Wall: 6357.97, 0.00391109/step, 1.0008 hours remaining, 114.218750 MB of memory in use. ENERGY: 1578800 672.3240 1840.5364 1964.9540 100.5025 1.3204 -1084.9003 0.0000 0.0000 2706.1265 6200.8635 298.8992 3494.7370 6234.7442 300.6397 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: 6358.75, 0.00392835/step Wall: 6358.75, 0.00392835/step, 1.005 hours remaining, 114.218750 MB of memory in use. ENERGY: 1579000 649.4884 1875.3026 1952.5464 114.8855 2.0458 -1102.6997 0.0000 0.0000 2735.4590 6227.0280 302.1391 3491.5689 6258.5977 301.7806 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: 6359.54, 0.00391638/step Wall: 6359.54, 0.00391638/step, 1.00172 hours remaining, 114.218750 MB of memory in use. ENERGY: 1579200 693.2104 1828.2903 1994.2064 121.3157 1.5271 -1111.2899 0.0000 0.0000 2709.0797 6236.3398 299.2254 3527.2601 6271.2281 302.9270 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: 6360.32, 0.00391539/step Wall: 6360.32, 0.00391539/step, 1.00125 hours remaining, 114.218750 MB of memory in use. ENERGY: 1579400 661.8010 1905.9615 1929.6083 108.5361 1.3660 -1090.6757 0.0000 0.0000 2752.3244 6268.9217 304.0019 3516.5973 6299.9949 303.5232 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: 6361.1, 0.00392424/step Wall: 6361.1, 0.00392424/step, 1.0033 hours remaining, 114.218750 MB of memory in use. ENERGY: 1579600 701.4420 1839.1164 1944.7389 110.0728 2.6248 -1071.7179 0.0000 0.0000 2708.3656 6234.6427 299.1465 3526.2771 6267.4522 302.3253 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: 6361.89, 0.00391111/step Wall: 6361.89, 0.00391111/step, 0.999724 hours remaining, 114.218750 MB of memory in use. ENERGY: 1579800 632.0823 1802.4273 1968.0173 113.1809 3.3503 -1063.1257 0.0000 0.0000 2749.1222 6205.0546 303.6482 3455.9324 6242.3435 301.3695 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: 6362.67, 0.00391672/step Wall: 6362.67, 0.00391672/step, 1.00094 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1580000 644.0525 1867.7811 1980.2903 121.6114 4.1276 -1101.7625 0.0000 0.0000 2676.0641 6192.1646 295.5787 3516.1005 6223.2656 299.3427 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1580000 WRITING COORDINATES TO DCD FILE MD.1.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: 6363.53, 0.00431044/step Wall: 6363.53, 0.00431044/step, 1.10132 hours remaining, 114.218750 MB of memory in use. ENERGY: 1580200 634.2848 1838.4588 1947.0862 109.6457 2.6487 -1095.4420 0.0000 0.0000 2667.2688 6103.9510 294.6073 3436.6822 6135.4670 297.3458 LDB: ============= START OF LOAD BALANCING ============== 6366.23 LDB: ============== END OF LOAD BALANCING =============== 6366.23 LDB: =============== DONE WITH MIGRATION ================ 6366.23 LDB: ============= START OF LOAD BALANCING ============== 6366.62 LDB: ============== END OF LOAD BALANCING =============== 6366.62 LDB: =============== DONE WITH MIGRATION ================ 6366.63 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: 6364.32, 0.0039221/step Wall: 6364.32, 0.0039221/step, 1.00188 hours remaining, 114.218750 MB of memory in use. ENERGY: 1580400 657.9846 1806.7789 1958.2249 105.7787 2.4448 -1122.8356 0.0000 0.0000 2725.2808 6133.6571 301.0149 3408.3763 6165.0732 296.7650 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: 6365.1, 0.00391777/step Wall: 6365.1, 0.00391777/step, 1.00055 hours remaining, 114.218750 MB of memory in use. ENERGY: 1580600 669.5854 1783.2532 1949.1247 110.7759 2.2295 -1062.4541 0.0000 0.0000 2720.7346 6173.2491 300.5127 3452.5146 6206.5105 297.1529 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: 6365.88, 0.00391284/step Wall: 6365.88, 0.00391284/step, 0.999078 hours remaining, 114.218750 MB of memory in use. ENERGY: 1580800 625.9413 1852.8742 1958.4051 106.6663 1.8366 -1104.9348 0.0000 0.0000 2732.7265 6173.5149 301.8373 3440.7885 6207.7276 297.1953 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: 6366.67, 0.00393915/step Wall: 6366.67, 0.00393915/step, 1.00558 hours remaining, 114.218750 MB of memory in use. ENERGY: 1581000 636.2898 1848.6507 1976.2026 108.2346 1.9259 -1071.5998 0.0000 0.0000 2724.6507 6224.3545 300.9453 3499.7038 6258.0362 299.6842 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: 6367.45, 0.00391634/step Wall: 6367.45, 0.00391634/step, 0.999536 hours remaining, 114.218750 MB of memory in use. ENERGY: 1581200 647.2368 1808.0312 2004.0175 97.1360 1.0534 -1076.4730 0.0000 0.0000 2664.4779 6145.4796 294.2990 3481.0017 6179.6884 297.3625 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: 6368.24, 0.0039148/step Wall: 6368.24, 0.0039148/step, 0.998927 hours remaining, 114.218750 MB of memory in use. ENERGY: 1581400 638.3017 1820.0535 1977.1528 109.4975 1.9196 -1054.7067 0.0000 0.0000 2677.2301 6169.4486 295.7075 3492.2185 6202.2680 296.2276 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: 6369.02, 0.00392084/step Wall: 6369.02, 0.00392084/step, 1.00025 hours remaining, 114.218750 MB of memory in use. ENERGY: 1581600 621.1901 1858.3741 1958.7198 107.5549 2.0596 -1077.8253 0.0000 0.0000 2652.7192 6122.7923 293.0002 3470.0731 6154.4642 298.4415 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: 6369.8, 0.00391858/step Wall: 6369.8, 0.00391858/step, 0.999457 hours remaining, 114.218750 MB of memory in use. ENERGY: 1581800 638.2487 1839.1321 1941.9119 112.8713 2.5224 -1073.5879 0.0000 0.0000 2719.8045 6180.9029 300.4100 3461.0984 6212.3206 298.1438 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: 6370.59, 0.00391829/step Wall: 6370.59, 0.00391829/step, 0.999164 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1582000 653.9623 1870.3518 1965.9894 104.3166 2.9242 -1097.2050 0.0000 0.0000 2685.4790 6185.8183 296.6186 3500.3392 6217.1984 300.4932 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: 6371.37, 0.00391572/step Wall: 6371.37, 0.00391572/step, 0.998291 hours remaining, 114.218750 MB of memory in use. ENERGY: 1582200 650.6260 1815.1349 1962.9523 127.1700 2.7394 -1080.1396 0.0000 0.0000 2720.6053 6199.0883 300.4984 3478.4831 6229.3296 300.5003 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: 6372.15, 0.00391367/step Wall: 6372.15, 0.00391367/step, 0.997551 hours remaining, 114.218750 MB of memory in use. ENERGY: 1582400 630.7737 1822.2813 1981.4398 115.0443 3.3920 -1070.0349 0.0000 0.0000 2714.0086 6196.9048 299.7698 3482.8962 6234.8903 301.9001 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: 6372.94, 0.00390978/step Wall: 6372.94, 0.00390978/step, 0.996343 hours remaining, 114.218750 MB of memory in use. ENERGY: 1582600 648.3277 1848.8793 1956.0119 114.1111 2.7680 -1081.9814 0.0000 0.0000 2673.0432 6161.1597 295.2451 3488.1166 6192.2758 298.4666 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: 6373.72, 0.00391482/step Wall: 6373.72, 0.00391482/step, 0.99741 hours remaining, 114.218750 MB of memory in use. ENERGY: 1582800 634.8884 1799.7210 1957.8286 99.7443 1.4257 -1105.0897 0.0000 0.0000 2778.9193 6167.4378 306.9394 3388.5184 6202.6661 298.1915 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: 6374.5, 0.0039147/step Wall: 6374.5, 0.0039147/step, 0.997161 hours remaining, 114.218750 MB of memory in use. ENERGY: 1583000 606.4412 1855.7961 1992.0359 104.0265 2.5957 -1100.0958 0.0000 0.0000 2730.4800 6191.2797 301.5891 3460.7997 6224.1487 300.0592 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: 6375.28, 0.003914/step Wall: 6375.28, 0.003914/step, 0.996764 hours remaining, 114.218750 MB of memory in use. ENERGY: 1583200 644.0923 1891.1704 1961.6155 117.9719 2.4922 -1100.6961 0.0000 0.0000 2716.3764 6233.0227 300.0313 3516.6462 6266.7328 301.6956 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: 6376.07, 0.00391608/step Wall: 6376.07, 0.00391608/step, 0.997077 hours remaining, 114.218750 MB of memory in use. ENERGY: 1583400 668.3794 1815.3471 1936.8547 107.6376 2.4171 -1048.9974 0.0000 0.0000 2748.3492 6229.9877 303.5628 3481.6385 6265.0596 302.2888 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: 6376.85, 0.00391041/step Wall: 6376.85, 0.00391041/step, 0.995417 hours remaining, 114.218750 MB of memory in use. ENERGY: 1583600 647.5690 1800.5442 1953.0954 106.0509 1.6421 -1089.4746 0.0000 0.0000 2820.0546 6239.4817 311.4829 3419.4271 6274.3434 300.9046 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: 6377.63, 0.00391346/step Wall: 6377.63, 0.00391346/step, 0.995977 hours remaining, 114.218750 MB of memory in use. ENERGY: 1583800 640.3801 1869.5210 1976.9822 113.9525 2.5539 -1065.1062 0.0000 0.0000 2762.1925 6300.4760 305.0919 3538.2835 6333.9283 303.2577 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: 6378.42, 0.00391693/step Wall: 6378.42, 0.00391693/step, 0.996642 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1584000 683.0222 1835.4225 1970.1186 103.8357 2.7986 -1112.6531 0.0000 0.0000 2747.4384 6229.9829 303.4622 3482.5445 6263.4874 303.5972 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: 6379.2, 0.00391447/step Wall: 6379.2, 0.00391447/step, 0.995798 hours remaining, 114.218750 MB of memory in use. ENERGY: 1584200 664.6090 1876.9009 1980.2580 109.9635 2.0272 -1093.0799 0.0000 0.0000 2716.3920 6257.0707 300.0331 3540.6787 6291.1230 302.9838 LDB: ============= START OF LOAD BALANCING ============== 6381.9 LDB: ============== END OF LOAD BALANCING =============== 6381.9 LDB: =============== DONE WITH MIGRATION ================ 6381.9 LDB: ============= START OF LOAD BALANCING ============== 6382.29 LDB: ============== END OF LOAD BALANCING =============== 6382.29 LDB: =============== DONE WITH MIGRATION ================ 6382.29 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: 6379.98, 0.00391254/step Wall: 6379.98, 0.00391254/step, 0.995089 hours remaining, 114.218750 MB of memory in use. ENERGY: 1584400 683.4866 1852.1207 1978.2033 107.7548 2.0844 -1097.5266 0.0000 0.0000 2735.3204 6261.4436 302.1238 3526.1232 6293.3130 303.7229 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: 6380.76, 0.00391328/step Wall: 6380.76, 0.00391328/step, 0.99506 hours remaining, 114.218750 MB of memory in use. ENERGY: 1584600 679.4862 1902.8777 1920.1469 113.8747 2.6293 -1108.9760 0.0000 0.0000 2736.8478 6246.8867 302.2925 3510.0389 6279.8857 304.0511 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: 6381.55, 0.00391205/step Wall: 6381.55, 0.00391205/step, 0.99453 hours remaining, 114.218750 MB of memory in use. ENERGY: 1584800 654.2245 1833.3759 1942.8575 106.5481 3.6946 -1118.7192 0.0000 0.0000 2742.8548 6164.8362 302.9560 3421.9814 6197.5174 300.7928 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: 6382.33, 0.00391245/step Wall: 6382.33, 0.00391245/step, 0.994416 hours remaining, 114.218750 MB of memory in use. ENERGY: 1585000 666.6127 1857.5874 1950.1464 123.2668 3.9566 -1110.4561 0.0000 0.0000 2702.3942 6193.5079 298.4870 3491.1138 6228.0768 300.1757 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: 6383.11, 0.00391091/step Wall: 6383.11, 0.00391091/step, 0.993806 hours remaining, 114.218750 MB of memory in use. ENERGY: 1585200 652.7672 1892.0041 1939.1849 105.0721 3.5464 -1102.7179 0.0000 0.0000 2659.7933 6149.6502 293.7816 3489.8569 6182.2466 298.3871 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: 6383.89, 0.00390757/step Wall: 6383.89, 0.00390757/step, 0.99274 hours remaining, 114.218750 MB of memory in use. ENERGY: 1585400 672.0600 1883.5289 1964.4544 105.9684 2.9662 -1127.0557 0.0000 0.0000 2669.6857 6171.6080 294.8742 3501.9223 6202.1344 300.3089 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: 6384.67, 0.00391129/step Wall: 6384.67, 0.00391129/step, 0.993466 hours remaining, 114.218750 MB of memory in use. ENERGY: 1585600 643.5464 1837.6976 1975.3827 124.1987 3.4723 -1076.6878 0.0000 0.0000 2637.6358 6145.2456 291.3342 3507.6098 6172.2019 298.0875 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: 6385.46, 0.00391294/step Wall: 6385.46, 0.00391294/step, 0.993669 hours remaining, 114.218750 MB of memory in use. ENERGY: 1585800 603.7115 1832.3565 1962.9133 107.3211 3.8392 -1076.1964 0.0000 0.0000 2715.6795 6149.6246 299.9544 3433.9451 6180.5830 296.6269 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: 6386.24, 0.00391233/step Wall: 6386.24, 0.00391233/step, 0.993297 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1586000 645.5758 1810.0012 1983.3989 95.2486 4.0946 -1097.8498 0.0000 0.0000 2727.9179 6168.3873 301.3061 3440.4694 6200.1523 296.9770 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: 6387.02, 0.00390808/step Wall: 6387.02, 0.00390808/step, 0.992 hours remaining, 114.218750 MB of memory in use. ENERGY: 1586200 667.2770 1855.2755 1935.2683 115.9527 3.3707 -1092.8830 0.0000 0.0000 2703.3550 6187.6162 298.5931 3484.2612 6216.7735 300.0013 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: 6387.8, 0.00391312/step Wall: 6387.8, 0.00391312/step, 0.993064 hours remaining, 114.218750 MB of memory in use. ENERGY: 1586400 662.9309 1818.4001 1988.0919 104.8872 1.7593 -1092.2773 0.0000 0.0000 2690.9098 6174.7018 297.2185 3483.7920 6207.8079 298.0947 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: 6388.59, 0.00391499/step Wall: 6388.59, 0.00391499/step, 0.99332 hours remaining, 114.218750 MB of memory in use. ENERGY: 1586600 679.7292 1864.5100 1956.1018 102.1378 1.8084 -1132.9767 0.0000 0.0000 2709.1784 6180.4890 299.2363 3471.3106 6213.1587 299.1832 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: 6389.37, 0.00391292/step Wall: 6389.37, 0.00391292/step, 0.992577 hours remaining, 114.218750 MB of memory in use. ENERGY: 1586800 650.0100 1801.0891 1961.9908 120.2778 1.9050 -1060.9271 0.0000 0.0000 2709.6323 6183.9779 299.2864 3474.3456 6215.1358 298.9938 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: 6390.15, 0.00391339/step Wall: 6390.15, 0.00391339/step, 0.992478 hours remaining, 114.218750 MB of memory in use. ENERGY: 1587000 642.5215 1817.5160 1954.0650 105.3256 1.7461 -1135.4541 0.0000 0.0000 2746.1672 6131.8873 303.3218 3385.7201 6168.1302 299.4564 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: 6390.93, 0.00390664/step Wall: 6390.93, 0.00390664/step, 0.99055 hours remaining, 114.218750 MB of memory in use. ENERGY: 1587200 641.0592 1843.8610 1952.9826 112.7234 1.9987 -1109.2227 0.0000 0.0000 2651.8851 6095.2871 292.9081 3443.4021 6127.8975 297.5317 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: 6391.72, 0.00391369/step Wall: 6391.72, 0.00391369/step, 0.992122 hours remaining, 114.218750 MB of memory in use. ENERGY: 1587400 654.2448 1815.6873 1949.4892 100.6009 3.1124 -1089.5223 0.0000 0.0000 2675.2978 6108.9101 295.4941 3433.6123 6141.2136 295.6615 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: 6392.5, 0.00391253/step Wall: 6392.5, 0.00391253/step, 0.99161 hours remaining, 114.218750 MB of memory in use. ENERGY: 1587600 654.3559 1808.4911 1926.9109 110.8637 2.3112 -1079.3318 0.0000 0.0000 2679.3204 6102.9214 295.9384 3423.6010 6136.0752 295.3983 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: 6393.28, 0.00391479/step Wall: 6393.28, 0.00391479/step, 0.991963 hours remaining, 114.218750 MB of memory in use. ENERGY: 1587800 664.9876 1836.7851 1939.5839 108.9469 2.6679 -1081.3636 0.0000 0.0000 2628.9961 6100.6039 290.3799 3471.6078 6130.5319 294.7506 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: 6394.06, 0.00390835/step Wall: 6394.06, 0.00390835/step, 0.990115 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1588000 658.0577 1869.5955 1933.4719 115.1026 2.5878 -1067.8899 0.0000 0.0000 2659.5704 6170.4960 293.7570 3510.9256 6200.0930 298.1424 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: 6394.85, 0.00391606/step Wall: 6394.85, 0.00391606/step, 0.991852 hours remaining, 114.218750 MB of memory in use. ENERGY: 1588200 650.0257 1834.3943 1926.4828 100.4916 2.0645 -1061.8133 0.0000 0.0000 2663.3320 6114.9776 294.1724 3451.6456 6144.5045 296.8791 LDB: ============= START OF LOAD BALANCING ============== 6397.55 LDB: ============== END OF LOAD BALANCING =============== 6397.55 LDB: =============== DONE WITH MIGRATION ================ 6397.55 LDB: ============= START OF LOAD BALANCING ============== 6397.94 LDB: ============== END OF LOAD BALANCING =============== 6397.94 LDB: =============== DONE WITH MIGRATION ================ 6397.94 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: 6395.63, 0.00391684/step Wall: 6395.63, 0.00391684/step, 0.991831 hours remaining, 114.218750 MB of memory in use. ENERGY: 1588400 618.9996 1839.9538 1944.5599 112.2803 2.5141 -1076.7162 0.0000 0.0000 2663.9377 6105.5292 294.2393 3441.5915 6136.4500 296.5555 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: 6396.41, 0.00391583/step Wall: 6396.41, 0.00391583/step, 0.991358 hours remaining, 114.218750 MB of memory in use. ENERGY: 1588600 643.4037 1832.9789 1916.1123 114.5750 2.3743 -1099.0088 0.0000 0.0000 2687.2520 6097.6873 296.8145 3410.4353 6130.5042 295.1023 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: 6397.2, 0.0039138/step Wall: 6397.2, 0.0039138/step, 0.990626 hours remaining, 114.218750 MB of memory in use. ENERGY: 1588800 683.4415 1767.9263 1919.0027 97.6187 3.8068 -1085.5863 0.0000 0.0000 2744.0948 6130.3044 303.0929 3386.2096 6162.2774 295.1020 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: 6397.98, 0.00390965/step Wall: 6397.98, 0.00390965/step, 0.989357 hours remaining, 114.218750 MB of memory in use. ENERGY: 1589000 665.1871 1833.2658 1976.8879 99.7777 3.3307 -1088.9544 0.0000 0.0000 2678.9390 6168.4338 295.8963 3489.4948 6203.7877 296.4684 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: 6398.76, 0.0039254/step Wall: 6398.76, 0.0039254/step, 0.993126 hours remaining, 114.218750 MB of memory in use. ENERGY: 1589200 680.6578 1827.8816 1963.7825 112.5152 2.1506 -1075.9620 0.0000 0.0000 2644.1403 6155.1659 292.0527 3511.0256 6188.8016 296.8440 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: 6399.55, 0.00391479/step Wall: 6399.55, 0.00391479/step, 0.990224 hours remaining, 114.218750 MB of memory in use. ENERGY: 1589400 646.7562 1814.3804 1943.7581 106.5797 3.0081 -1094.3113 0.0000 0.0000 2701.0233 6121.1946 298.3356 3420.1713 6157.0051 295.6407 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: 6400.33, 0.00391386/step Wall: 6400.33, 0.00391386/step, 0.989772 hours remaining, 114.218750 MB of memory in use. ENERGY: 1589600 621.0796 1821.2342 1958.4545 118.1422 3.6502 -1095.4271 0.0000 0.0000 2720.0986 6147.2322 300.4425 3427.1336 6180.9749 296.5518 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: 6401.11, 0.00391346/step Wall: 6401.11, 0.00391346/step, 0.989454 hours remaining, 114.218750 MB of memory in use. ENERGY: 1589800 626.1629 1832.7340 1954.6816 107.7161 3.3902 -1093.9005 0.0000 0.0000 2674.7561 6105.5403 295.4343 3430.7842 6140.2008 296.4910 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: 6401.89, 0.00390942/step Wall: 6401.89, 0.00390942/step, 0.988214 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1590000 606.4708 1834.5818 1940.2098 111.7281 2.1762 -1041.7630 0.0000 0.0000 2687.7296 6141.1333 296.8672 3453.4038 6174.3979 296.2692 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1590000 WRITING COORDINATES TO DCD FILE MD.1.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: 6402.72, 0.0041415/step Wall: 6402.72, 0.0041415/step, 1.04665 hours remaining, 114.218750 MB of memory in use. ENERGY: 1590200 650.2285 1813.2700 1959.2931 118.6115 3.1286 -1098.6315 0.0000 0.0000 2642.8790 6088.7791 291.9133 3445.9001 6120.3301 295.9597 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: 6403.5, 0.00391436/step Wall: 6403.5, 0.00391436/step, 0.989027 hours remaining, 114.218750 MB of memory in use. ENERGY: 1590400 625.9650 1784.8393 1969.4148 106.9705 3.5007 -1096.5311 0.0000 0.0000 2678.6678 6072.8271 295.8663 3394.1592 6107.1384 294.0453 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: 6404.29, 0.00391315/step Wall: 6404.29, 0.00391315/step, 0.988504 hours remaining, 114.218750 MB of memory in use. ENERGY: 1590600 701.6744 1841.7709 1951.9337 106.9712 4.5241 -1129.6246 0.0000 0.0000 2646.3903 6123.6400 292.3012 3477.2497 6156.3696 296.0071 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: 6405.07, 0.00390842/step Wall: 6405.07, 0.00390842/step, 0.987093 hours remaining, 114.218750 MB of memory in use. ENERGY: 1590800 674.2782 1830.7941 1956.4023 96.6727 3.4277 -1134.7218 0.0000 0.0000 2701.5814 6128.4345 298.3972 3426.8532 6161.8217 297.0849 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: 6405.85, 0.00391487/step Wall: 6405.85, 0.00391487/step, 0.988506 hours remaining, 114.218750 MB of memory in use. ENERGY: 1591000 671.6586 1868.5386 1976.1349 105.9271 2.1774 -1098.5314 0.0000 0.0000 2685.4332 6211.3382 296.6136 3525.9051 6242.3585 299.3466 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: 6406.64, 0.00391631/step Wall: 6406.64, 0.0039163/step, 0.988648 hours remaining, 114.218750 MB of memory in use. ENERGY: 1591200 628.0991 1883.2562 1948.9504 105.4974 3.2161 -1100.4057 0.0000 0.0000 2665.7864 6134.3999 294.4435 3468.6135 6167.2003 298.8300 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: 6407.42, 0.00391578/step Wall: 6407.42, 0.00391579/step, 0.988301 hours remaining, 114.218750 MB of memory in use. ENERGY: 1591400 640.1815 1847.5715 1958.4169 104.8190 2.8479 -1069.9656 0.0000 0.0000 2682.5077 6166.3788 296.2904 3483.8711 6198.9624 296.9494 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: 6408.2, 0.00391667/step Wall: 6408.2, 0.00391667/step, 0.988306 hours remaining, 114.218750 MB of memory in use. ENERGY: 1591600 666.5207 1815.2952 1949.8522 110.7707 3.9879 -1079.5649 0.0000 0.0000 2720.2338 6187.0956 300.4574 3466.8618 6217.8092 299.0553 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: 6408.98, 0.00391098/step Wall: 6408.98, 0.00391098/step, 0.986655 hours remaining, 114.218750 MB of memory in use. ENERGY: 1591800 624.6151 1871.9042 1981.3806 112.9899 2.8059 -1070.8628 0.0000 0.0000 2702.7621 6225.5951 298.5276 3522.8330 6258.4518 300.3687 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: 6409.77, 0.00391627/step Wall: 6409.77, 0.00391627/step, 0.987771 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1592000 644.4089 1831.6477 1956.7329 100.4699 2.4799 -1033.3815 0.0000 0.0000 2725.5515 6227.9094 301.0448 3502.3579 6263.9848 299.9672 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: 6410.55, 0.00391638/step Wall: 6410.55, 0.00391638/step, 0.987581 hours remaining, 114.218750 MB of memory in use. ENERGY: 1592200 638.3909 1791.9241 1956.4453 104.0668 2.7556 -1058.4741 0.0000 0.0000 2693.1337 6128.2424 297.4641 3435.1087 6160.3960 297.8654 LDB: ============= START OF LOAD BALANCING ============== 6413.25 LDB: ============== END OF LOAD BALANCING =============== 6413.25 LDB: =============== DONE WITH MIGRATION ================ 6413.25 LDB: ============= START OF LOAD BALANCING ============== 6413.64 LDB: ============== END OF LOAD BALANCING =============== 6413.64 LDB: =============== DONE WITH MIGRATION ================ 6413.64 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: 6411.33, 0.00392161/step Wall: 6411.33, 0.00392161/step, 0.98868 hours remaining, 114.218750 MB of memory in use. ENERGY: 1592400 650.9049 1805.2342 1967.6816 114.1945 2.1999 -1135.1154 0.0000 0.0000 2718.8158 6123.9155 300.3008 3405.0997 6158.7568 295.5084 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: 6412.12, 0.0039106/step Wall: 6412.12, 0.0039106/step, 0.985688 hours remaining, 114.218750 MB of memory in use. ENERGY: 1592600 669.0386 1840.9143 1943.3689 108.7603 1.9843 -1107.2154 0.0000 0.0000 2709.3806 6166.2315 299.2586 3456.8509 6197.3131 296.3021 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: 6412.9, 0.00391528/step Wall: 6412.9, 0.00391528/step, 0.986649 hours remaining, 114.218750 MB of memory in use. ENERGY: 1592800 648.4196 1770.8932 1953.6413 106.2653 3.5198 -1063.6357 0.0000 0.0000 2678.7441 6097.8474 295.8747 3419.1034 6132.3449 295.0091 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: 6413.68, 0.00391663/step Wall: 6413.68, 0.00391663/step, 0.986773 hours remaining, 114.218750 MB of memory in use. ENERGY: 1593000 633.4525 1826.9886 1965.6500 113.8782 1.9410 -1090.1400 0.0000 0.0000 2674.3092 6126.0795 295.3849 3451.7703 6158.2244 295.2700 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: 6414.47, 0.00391688/step Wall: 6414.47, 0.00391688/step, 0.986619 hours remaining, 114.218750 MB of memory in use. ENERGY: 1593200 635.4187 1809.4265 1961.1335 106.8370 2.1891 -1056.3757 0.0000 0.0000 2716.2915 6174.9206 300.0220 3458.6292 6209.6697 297.8471 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: 6415.25, 0.00391577/step Wall: 6415.25, 0.00391577/step, 0.986121 hours remaining, 114.218750 MB of memory in use. ENERGY: 1593400 651.1670 1780.8808 1961.0675 113.9885 2.3517 -1056.5114 0.0000 0.0000 2749.1736 6202.1178 303.6539 3452.9442 6236.4060 298.7084 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: 6416.03, 0.0039105/step Wall: 6416.03, 0.0039105/step, 0.984578 hours remaining, 114.218750 MB of memory in use. ENERGY: 1593600 649.9862 1799.3912 1965.6183 102.9307 2.9599 -1071.5297 0.0000 0.0000 2692.9974 6142.3540 297.4491 3449.3566 6174.6467 297.6144 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: 6416.81, 0.00391656/step Wall: 6416.81, 0.00391656/step, 0.985885 hours remaining, 114.218750 MB of memory in use. ENERGY: 1593800 645.9519 1804.4052 1956.6530 103.5172 3.6759 -1033.9681 0.0000 0.0000 2673.9234 6154.1586 295.3423 3480.2352 6187.9547 296.4137 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: 6417.6, 0.00391436/step Wall: 6417.6, 0.00391436/step, 0.985113 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1594000 651.0766 1801.8738 1939.7923 105.7993 3.0641 -1103.5252 0.0000 0.0000 2746.2388 6144.3196 303.3297 3398.0808 6175.8801 297.3660 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: 6418.38, 0.00391289/step Wall: 6418.38, 0.00391289/step, 0.984527 hours remaining, 114.218750 MB of memory in use. ENERGY: 1594200 652.8049 1836.4177 1949.0676 105.4355 3.7080 -1079.3420 0.0000 0.0000 2657.6840 6125.7756 293.5486 3468.0916 6157.0847 297.8473 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: 6419.16, 0.00391233/step Wall: 6419.16, 0.00391233/step, 0.984168 hours remaining, 114.218750 MB of memory in use. ENERGY: 1594400 635.3650 1812.5972 1965.6160 104.2586 3.2974 -1072.2105 0.0000 0.0000 2665.0852 6114.0089 294.3661 3448.9237 6144.7893 296.4088 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: 6419.94, 0.00390718/step Wall: 6419.94, 0.00390718/step, 0.982656 hours remaining, 114.218750 MB of memory in use. ENERGY: 1594600 650.0341 1830.8233 1964.9878 96.9746 2.8807 -1082.5057 0.0000 0.0000 2665.4447 6128.6395 294.4058 3463.1948 6161.1581 296.5046 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: 6420.73, 0.00391396/step Wall: 6420.73, 0.00391396/step, 0.984144 hours remaining, 114.218750 MB of memory in use. ENERGY: 1594800 628.7066 1811.1067 1958.4457 105.6870 2.0535 -1111.0514 0.0000 0.0000 2687.3588 6082.3069 296.8263 3394.9481 6112.5399 293.8324 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: 6421.51, 0.00391346/step Wall: 6421.51, 0.00391346/step, 0.983799 hours remaining, 114.218750 MB of memory in use. ENERGY: 1595000 609.1594 1791.9448 1976.8367 110.8563 2.9118 -1079.4047 0.0000 0.0000 2691.7244 6104.0287 297.3085 3412.3043 6135.5958 294.7364 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: 6422.29, 0.00391352/step Wall: 6422.29, 0.00391352/step, 0.983598 hours remaining, 114.218750 MB of memory in use. ENERGY: 1595200 665.0415 1846.4345 1932.0636 102.1052 3.2921 -1087.6930 0.0000 0.0000 2730.7532 6191.9971 301.6193 3461.2440 6226.4008 297.0796 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: 6423.07, 0.00390891/step Wall: 6423.07, 0.00390891/step, 0.982223 hours remaining, 114.218750 MB of memory in use. ENERGY: 1595400 646.8605 1873.0926 1959.7657 118.1009 3.3695 -1097.3631 0.0000 0.0000 2680.2918 6184.1178 296.0457 3503.8260 6215.1722 300.2057 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: 6423.86, 0.00391458/step Wall: 6423.86, 0.00391458/step, 0.983428 hours remaining, 114.218750 MB of memory in use. ENERGY: 1595600 661.0841 1820.9692 1966.0435 104.9526 3.9870 -1077.0851 0.0000 0.0000 2700.0442 6179.9954 298.2274 3479.9511 6213.6743 298.5616 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: 6424.64, 0.00391378/step Wall: 6424.64, 0.00391378/step, 0.983012 hours remaining, 114.218750 MB of memory in use. ENERGY: 1595800 625.9893 1880.9136 1969.7698 112.8800 3.0349 -1096.5535 0.0000 0.0000 2706.9539 6202.9881 298.9906 3496.0342 6235.5690 299.6251 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: 6425.42, 0.00391428/step Wall: 6425.42, 0.00391428/step, 0.982919 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1596000 667.0607 1880.7097 1940.2538 125.7493 2.8854 -1098.3991 0.0000 0.0000 2685.0242 6203.2840 296.5684 3518.2598 6233.0544 300.0382 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: 6426.21, 0.00391231/step Wall: 6426.21, 0.00391231/step, 0.982207 hours remaining, 114.218750 MB of memory in use. ENERGY: 1596200 669.1246 1775.8476 1947.8309 122.2689 2.8804 -1059.2792 0.0000 0.0000 2753.5519 6212.2250 304.1375 3458.6731 6246.5088 300.7664 LDB: ============= START OF LOAD BALANCING ============== 6428.91 LDB: ============== END OF LOAD BALANCING =============== 6428.91 LDB: =============== DONE WITH MIGRATION ================ 6428.91 LDB: ============= START OF LOAD BALANCING ============== 6429.3 LDB: ============== END OF LOAD BALANCING =============== 6429.3 LDB: =============== DONE WITH MIGRATION ================ 6429.3 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: 6426.99, 0.0039117/step Wall: 6426.99, 0.0039117/step, 0.981837 hours remaining, 114.218750 MB of memory in use. ENERGY: 1596400 658.6260 1817.0187 1932.8820 111.2284 3.3571 -1051.6395 0.0000 0.0000 2770.5378 6242.0105 306.0136 3471.4726 6276.1201 301.9263 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: 6427.77, 0.00391161/step Wall: 6427.77, 0.00391161/step, 0.981597 hours remaining, 114.218750 MB of memory in use. ENERGY: 1596600 645.2447 1866.1922 1963.7703 105.3596 2.5499 -1094.5824 0.0000 0.0000 2738.1169 6226.6513 302.4326 3488.5344 6260.8965 302.8341 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: 6428.55, 0.00392026/step Wall: 6428.55, 0.00392026/step, 0.98355 hours remaining, 114.218750 MB of memory in use. ENERGY: 1596800 667.1548 1876.5767 1970.8350 116.4358 2.6401 -1086.9052 0.0000 0.0000 2645.9068 6192.6441 292.2478 3546.7373 6221.9797 299.7194 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: 6429.34, 0.00391489/step Wall: 6429.34, 0.00391489/step, 0.981985 hours remaining, 114.218750 MB of memory in use. ENERGY: 1597000 680.0319 1875.6071 1971.4425 106.6685 2.3929 -1119.5515 0.0000 0.0000 2683.0220 6199.6134 296.3473 3516.5914 6230.0832 299.0678 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: 6430.12, 0.0039111/step Wall: 6430.12, 0.0039111/step, 0.980816 hours remaining, 114.218750 MB of memory in use. ENERGY: 1597200 664.0174 1897.6186 1951.1164 106.7543 3.1573 -1114.8174 0.0000 0.0000 2741.5420 6249.3887 302.8110 3507.8467 6282.8030 300.7798 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: 6430.9, 0.0039132/step Wall: 6430.9, 0.0039132/step, 0.981126 hours remaining, 114.218750 MB of memory in use. ENERGY: 1597400 648.6145 1871.4897 1950.4914 103.6224 1.7746 -1078.9963 0.0000 0.0000 2687.2729 6184.2692 296.8168 3496.9963 6217.2451 299.9857 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: 6431.68, 0.00391295/step Wall: 6431.68, 0.00391295/step, 0.980846 hours remaining, 114.218750 MB of memory in use. ENERGY: 1597600 668.6658 1818.1299 1959.8018 101.8317 1.5793 -1059.4118 0.0000 0.0000 2753.5833 6244.1801 304.1409 3490.5968 6275.0427 301.4092 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: 6432.47, 0.00391294/step Wall: 6432.47, 0.00391294/step, 0.980627 hours remaining, 114.218750 MB of memory in use. ENERGY: 1597800 658.5713 1854.7520 1958.1344 117.2100 2.0641 -1118.4383 0.0000 0.0000 2714.7370 6187.0306 299.8503 3472.2936 6222.4370 301.2517 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: 6433.25, 0.00391403/step Wall: 6433.25, 0.00391403/step, 0.980682 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1598000 647.0803 1845.8603 1935.8936 106.3650 2.1585 -1102.9097 0.0000 0.0000 2673.6934 6108.1415 295.3169 3434.4482 6138.9341 295.6918 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: 6434.03, 0.00390633/step Wall: 6434.03, 0.00390633/step, 0.978537 hours remaining, 114.218750 MB of memory in use. ENERGY: 1598200 636.9502 1848.7637 1944.9991 108.0925 3.2194 -1077.9654 0.0000 0.0000 2729.3181 6193.3777 301.4608 3464.0596 6226.8436 297.9328 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: 6434.81, 0.00391373/step Wall: 6434.81, 0.00391373/step, 0.980172 hours remaining, 114.218750 MB of memory in use. ENERGY: 1598400 634.0906 1777.0532 1963.8732 104.1376 3.5097 -1092.0325 0.0000 0.0000 2709.7017 6100.3334 299.2941 3390.6317 6135.6619 298.9796 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: 6435.6, 0.00391449/step Wall: 6435.6, 0.00391449/step, 0.980145 hours remaining, 114.218750 MB of memory in use. ENERGY: 1598600 620.2946 1809.3287 1975.5589 107.8680 3.3801 -1059.2762 0.0000 0.0000 2656.6520 6113.8061 293.4346 3457.1540 6144.1824 294.3644 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: 6436.38, 0.00391549/step Wall: 6436.38, 0.00391549/step, 0.980176 hours remaining, 114.218750 MB of memory in use. ENERGY: 1598800 645.1678 1846.4912 1977.9693 101.5058 3.3676 -1099.4026 0.0000 0.0000 2616.4877 6091.5868 288.9984 3475.0990 6124.0680 292.4576 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: 6437.16, 0.0039101/step Wall: 6437.16, 0.0039101/step, 0.978611 hours remaining, 114.218750 MB of memory in use. ENERGY: 1599000 675.0960 1778.9862 1979.5100 119.8438 2.4718 -1099.3028 0.0000 0.0000 2706.9985 6163.6036 298.9955 3456.6050 6195.8243 295.0206 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: 6437.95, 0.00391569/step Wall: 6437.95, 0.00391569/step, 0.979792 hours remaining, 114.218750 MB of memory in use. ENERGY: 1599200 636.9940 1816.2775 1915.2336 99.3290 3.2094 -1056.6624 0.0000 0.0000 2702.7804 6117.1615 298.5296 3414.3811 6148.3839 298.2490 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: 6438.73, 0.00392401/step Wall: 6438.73, 0.00392401/step, 0.981656 hours remaining, 114.218750 MB of memory in use. ENERGY: 1599400 644.6205 1839.8606 1923.9909 111.9744 2.0990 -1091.5884 0.0000 0.0000 2670.7218 6101.6787 294.9887 3430.9569 6134.6935 295.3299 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: 6439.51, 0.00391437/step Wall: 6439.51, 0.00391437/step, 0.979028 hours remaining, 114.218750 MB of memory in use. ENERGY: 1599600 616.0280 1803.2072 1955.6219 100.8310 2.4702 -1061.7600 0.0000 0.0000 2699.7288 6116.1271 298.1926 3416.3983 6148.9332 293.9746 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: 6440.3, 0.00391456/step Wall: 6440.3, 0.00391456/step, 0.978859 hours remaining, 114.218750 MB of memory in use. ENERGY: 1599800 658.1272 1767.4479 1945.4200 102.4761 1.8623 -1098.6391 0.0000 0.0000 2702.2387 6078.9330 298.4698 3376.6943 6111.4767 295.8250 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: 6441.08, 0.00390975/step Wall: 6441.08, 0.00390975/step, 0.977437 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1600000 630.0611 1826.4527 1918.8185 118.7483 3.5278 -1096.6722 0.0000 0.0000 2679.1132 6080.0494 295.9155 3400.9362 6112.9104 294.3153 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1600000 WRITING COORDINATES TO DCD FILE MD.1.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: 6441.9, 0.00411915/step Wall: 6441.9, 0.00411915/step, 1.02956 hours remaining, 114.218750 MB of memory in use. ENERGY: 1600200 643.1950 1793.0163 1931.3205 106.0420 2.9528 -1091.3216 0.0000 0.0000 2680.7375 6065.9425 296.0949 3385.2050 6098.9395 294.3845 LDB: ============= START OF LOAD BALANCING ============== 6444.6 LDB: ============== END OF LOAD BALANCING =============== 6444.6 LDB: =============== DONE WITH MIGRATION ================ 6444.6 LDB: ============= START OF LOAD BALANCING ============== 6444.99 LDB: ============== END OF LOAD BALANCING =============== 6444.99 LDB: =============== DONE WITH MIGRATION ================ 6444.99 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: 6442.69, 0.00391957/step Wall: 6442.69, 0.00391957/step, 0.979456 hours remaining, 114.218750 MB of memory in use. ENERGY: 1600400 651.0333 1807.8730 1956.1949 109.6806 3.6384 -1115.5434 0.0000 0.0000 2708.8429 6121.7196 299.1992 3412.8767 6154.7416 294.0949 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: 6443.47, 0.00391427/step Wall: 6443.47, 0.00391427/step, 0.977915 hours remaining, 114.218750 MB of memory in use. ENERGY: 1600600 662.4626 1825.6774 1937.9013 98.3039 3.9109 -1142.1622 0.0000 0.0000 2719.3469 6105.4408 300.3594 3386.0939 6138.9225 294.7275 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: 6444.25, 0.00391252/step Wall: 6444.25, 0.00391252/step, 0.977259 hours remaining, 114.218750 MB of memory in use. ENERGY: 1600800 691.1327 1795.1694 1941.1265 116.4292 3.3515 -1111.3442 0.0000 0.0000 2693.0748 6128.9399 297.4576 3435.8651 6163.2388 297.8928 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: 6445.03, 0.00390934/step Wall: 6445.03, 0.00390934/step, 0.976249 hours remaining, 114.218750 MB of memory in use. ENERGY: 1601000 639.9084 1843.8863 1992.2870 108.8593 2.8555 -1126.7563 0.0000 0.0000 2664.2510 6125.2914 294.2739 3461.0403 6159.9834 297.0920 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: 6445.82, 0.00391425/step Wall: 6445.82, 0.00391425/step, 0.977257 hours remaining, 114.218750 MB of memory in use. ENERGY: 1601200 663.9984 1853.8080 1948.4101 112.6524 4.2914 -1100.5189 0.0000 0.0000 2599.7875 6082.4289 287.1538 3482.6413 6112.4108 295.2299 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: 6446.6, 0.00391469/step Wall: 6446.6, 0.00391469/step, 0.97715 hours remaining, 114.218750 MB of memory in use. ENERGY: 1601400 620.8331 1792.9812 1935.9155 100.0409 3.7237 -1097.2638 0.0000 0.0000 2641.8381 5998.0686 291.7984 3356.2306 6029.9949 291.8020 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: 6447.38, 0.00391539/step Wall: 6447.38, 0.00391539/step, 0.977106 hours remaining, 114.218750 MB of memory in use. ENERGY: 1601600 653.4599 1768.1985 1925.0134 104.5816 2.8811 -1086.1330 0.0000 0.0000 2658.5192 6026.5207 293.6409 3368.0014 6061.4037 291.6642 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: 6448.16, 0.00390971/step Wall: 6448.16, 0.00390971/step, 0.975474 hours remaining, 114.218750 MB of memory in use. ENERGY: 1601800 664.7174 1838.8351 1949.9849 92.6477 3.7507 -1123.4800 0.0000 0.0000 2638.4637 6064.9194 291.4257 3426.4558 6098.3450 292.3767 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: 6448.95, 0.00391801/step Wall: 6448.95, 0.00391801/step, 0.977325 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1602000 655.5397 1793.0803 1926.7448 106.1281 4.5067 -1107.9018 0.0000 0.0000 2711.6571 6089.7549 299.5101 3378.0979 6125.5603 293.3078 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: 6449.73, 0.00391508/step Wall: 6449.73, 0.00391508/step, 0.976377 hours remaining, 114.218750 MB of memory in use. ENERGY: 1602200 641.1591 1824.7879 1972.0721 107.7115 3.7199 -1091.3441 0.0000 0.0000 2664.6785 6122.7849 294.3212 3458.1064 6154.0595 295.3946 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: 6450.51, 0.00391546/step Wall: 6450.51, 0.00391546/step, 0.976255 hours remaining, 114.218750 MB of memory in use. ENERGY: 1602400 708.5230 1825.5750 1934.1423 98.5935 3.0867 -1072.5571 0.0000 0.0000 2598.5583 6095.9216 287.0180 3497.3633 6123.5422 295.3786 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: 6451.3, 0.00391497/step Wall: 6451.3, 0.00391497/step, 0.975916 hours remaining, 114.218750 MB of memory in use. ENERGY: 1602600 656.6563 1804.6752 1990.4474 120.3505 3.5175 -1131.7126 0.0000 0.0000 2639.4626 6083.3969 291.5360 3443.9343 6115.3743 294.9522 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: 6452.08, 0.00390947/step Wall: 6452.08, 0.00390947/step, 0.974326 hours remaining, 114.218750 MB of memory in use. ENERGY: 1602800 656.7250 1821.8489 1936.3895 98.0043 4.8858 -1065.4641 0.0000 0.0000 2645.3565 6097.7459 292.1870 3452.3894 6129.0516 292.7492 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: 6452.86, 0.00391499/step Wall: 6452.86, 0.00391499/step, 0.975485 hours remaining, 114.218750 MB of memory in use. ENERGY: 1603000 609.4582 1845.7722 1959.5810 94.9827 3.1862 -1049.0405 0.0000 0.0000 2680.7693 6144.7090 296.0984 3463.9398 6177.8679 297.0015 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: 6453.64, 0.00391265/step Wall: 6453.64, 0.00391265/step, 0.974685 hours remaining, 114.218750 MB of memory in use. ENERGY: 1603200 658.0506 1833.8777 1970.5427 107.2493 2.1890 -1133.4626 0.0000 0.0000 2694.2622 6132.7090 297.5888 3438.4468 6162.3023 296.8810 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: 6454.43, 0.00391229/step Wall: 6454.43, 0.00391229/step, 0.974379 hours remaining, 114.218750 MB of memory in use. ENERGY: 1603400 661.8292 1862.7801 1953.9208 113.0976 3.2081 -1094.4767 0.0000 0.0000 2670.6745 6171.0337 294.9834 3500.3591 6204.7680 297.5339 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: 6455.21, 0.00391143/step Wall: 6455.21, 0.00391143/step, 0.973946 hours remaining, 114.218750 MB of memory in use. ENERGY: 1603600 662.6833 1825.9008 1984.5036 118.6499 3.6378 -1103.7270 0.0000 0.0000 2697.7810 6189.4294 297.9774 3491.6484 6221.1721 298.7719 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: 6455.99, 0.00391053/step Wall: 6455.99, 0.00391053/step, 0.973505 hours remaining, 114.218750 MB of memory in use. ENERGY: 1603800 651.4448 1839.1850 1957.4971 116.6932 2.0757 -1097.1666 0.0000 0.0000 2697.8973 6167.6264 297.9903 3469.7291 6203.0936 299.6766 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: 6456.77, 0.00391466/step Wall: 6456.77, 0.00391466/step, 0.974317 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1604000 641.3983 1855.5169 1966.1614 108.1345 4.4410 -1090.4883 0.0000 0.0000 2732.5278 6217.6915 301.8153 3485.1637 6250.5884 299.7118 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: 6457.56, 0.0039141/step Wall: 6457.56, 0.0039141/step, 0.973959 hours remaining, 114.218750 MB of memory in use. ENERGY: 1604200 638.5298 1854.7124 1937.2190 116.9647 2.3975 -1079.2555 0.0000 0.0000 2773.3035 6243.8714 306.3191 3470.5679 6279.3058 300.9381 LDB: ============= START OF LOAD BALANCING ============== 6460.26 LDB: ============== END OF LOAD BALANCING =============== 6460.26 LDB: =============== DONE WITH MIGRATION ================ 6460.26 LDB: ============= START OF LOAD BALANCING ============== 6460.65 LDB: ============== END OF LOAD BALANCING =============== 6460.65 LDB: =============== DONE WITH MIGRATION ================ 6460.65 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: 6458.34, 0.00391933/step Wall: 6458.34, 0.00391933/step, 0.975042 hours remaining, 114.218750 MB of memory in use. ENERGY: 1604400 642.1658 1859.1446 1967.2374 108.6581 2.7621 -1099.4334 0.0000 0.0000 2783.3146 6263.8491 307.4249 3480.5345 6298.7695 302.8611 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: 6459.12, 0.00391008/step Wall: 6459.12, 0.00391008/step, 0.972524 hours remaining, 114.218750 MB of memory in use. ENERGY: 1604600 645.3176 1888.2124 1956.2908 124.2635 3.7418 -1082.0074 0.0000 0.0000 2752.8544 6288.6730 304.0604 3535.8186 6324.5778 303.2984 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: 6459.9, 0.00391394/step Wall: 6459.9, 0.00391394/step, 0.973265 hours remaining, 114.218750 MB of memory in use. ENERGY: 1604800 661.8367 1923.6240 1971.4663 116.6181 3.4118 -1120.5114 0.0000 0.0000 2737.1013 6293.5467 302.3205 3556.4455 6326.4933 304.3452 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: 6460.69, 0.00391751/step Wall: 6460.69, 0.00391751/step, 0.973937 hours remaining, 114.218750 MB of memory in use. ENERGY: 1605000 655.8836 1848.6193 2010.8099 104.8875 2.5549 -1076.9246 0.0000 0.0000 2745.9497 6291.7803 303.2978 3545.8306 6326.0615 304.1340 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: 6461.47, 0.00391777/step Wall: 6461.47, 0.00391777/step, 0.973784 hours remaining, 114.218750 MB of memory in use. ENERGY: 1605200 643.5664 1941.3366 1957.3999 100.1516 1.6128 -1089.8808 0.0000 0.0000 2818.4159 6372.6023 311.3019 3554.1864 6405.1848 306.0535 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: 6462.26, 0.00391712/step Wall: 6462.26, 0.00391711/step, 0.973402 hours remaining, 114.218750 MB of memory in use. ENERGY: 1605400 662.7926 1863.9911 1976.5557 111.2131 2.5072 -1063.8419 0.0000 0.0000 2815.9890 6369.2068 311.0338 3553.2178 6403.6408 309.1259 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: 6463.04, 0.00391065/step Wall: 6463.04, 0.00391066/step, 0.971581 hours remaining, 114.218750 MB of memory in use. ENERGY: 1605600 674.2155 1901.2511 1974.3435 121.3972 3.4535 -1063.9370 0.0000 0.0000 2727.2306 6337.9544 301.2302 3610.7238 6370.2283 307.2704 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: 6463.82, 0.0039159/step Wall: 6463.82, 0.0039159/step, 0.972666 hours remaining, 114.218750 MB of memory in use. ENERGY: 1605800 681.0428 1903.5148 1958.9525 106.0094 2.6857 -1116.8931 0.0000 0.0000 2793.0210 6328.3331 308.4969 3535.3121 6365.0714 308.5399 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: 6464.6, 0.0039168/step Wall: 6464.6, 0.0039168/step, 0.972672 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1606000 657.3761 1860.6114 1969.5003 113.9582 3.1798 -1079.0374 0.0000 0.0000 2757.4710 6283.0595 304.5704 3525.5885 6316.6829 307.3025 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: 6465.39, 0.0039158/step Wall: 6465.39, 0.0039158/step, 0.972206 hours remaining, 114.218750 MB of memory in use. ENERGY: 1606200 662.6013 1839.2394 1964.8882 115.9361 3.6984 -1091.8042 0.0000 0.0000 2742.4978 6237.0571 302.9165 3494.5593 6270.8031 303.8927 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: 6466.17, 0.00390922/step Wall: 6466.17, 0.00390922/step, 0.970356 hours remaining, 114.218750 MB of memory in use. ENERGY: 1606400 677.5340 1815.9194 1945.4036 107.7059 4.6752 -1102.2369 0.0000 0.0000 2747.1890 6196.1903 303.4347 3449.0013 6230.9931 299.9390 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: 6466.95, 0.00391833/step Wall: 6466.95, 0.00391833/step, 0.972399 hours remaining, 114.218750 MB of memory in use. ENERGY: 1606600 649.9309 1873.7553 1945.2221 119.8134 4.0315 -1097.0851 0.0000 0.0000 2693.5892 6189.2573 297.5144 3495.6681 6221.9932 298.9408 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: 6467.74, 0.0039178/step Wall: 6467.74, 0.0039178/step, 0.97205 hours remaining, 114.218750 MB of memory in use. ENERGY: 1606800 674.4018 1839.9904 1939.5766 100.9175 3.6354 -1087.3021 0.0000 0.0000 2730.1191 6201.3387 301.5493 3471.2196 6238.2968 299.8381 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: 6468.52, 0.00391742/step Wall: 6468.52, 0.00391742/step, 0.971738 hours remaining, 114.218750 MB of memory in use. ENERGY: 1607000 677.7593 1870.5100 1920.2117 109.3966 3.2497 -1095.5310 0.0000 0.0000 2670.5765 6156.1729 294.9726 3485.5963 6192.1670 300.1030 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: 6469.3, 0.00391709/step Wall: 6469.3, 0.00391709/step, 0.971438 hours remaining, 114.218750 MB of memory in use. ENERGY: 1607200 667.3863 1865.3191 1934.4325 105.2774 2.8964 -1098.7373 0.0000 0.0000 2702.0089 6178.5833 298.4444 3476.5745 6211.7285 297.6481 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: 6470.09, 0.00391008/step Wall: 6470.09, 0.00391007/step, 0.96948 hours remaining, 114.218750 MB of memory in use. ENERGY: 1607400 655.7461 1843.6447 1947.4178 107.1304 2.8016 -1053.9862 0.0000 0.0000 2660.7780 6163.5324 293.8903 3502.7544 6193.7432 297.0040 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: 6470.87, 0.0039165/step Wall: 6470.87, 0.00391651/step, 0.970859 hours remaining, 114.218750 MB of memory in use. ENERGY: 1607600 698.9996 1875.5530 1957.2743 103.7618 2.5368 -1105.7039 0.0000 0.0000 2697.8280 6230.2496 297.9826 3532.4216 6262.8816 300.5353 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: 6471.65, 0.00391685/step Wall: 6471.65, 0.00391685/step, 0.970725 hours remaining, 114.218750 MB of memory in use. ENERGY: 1607800 671.2927 1850.3176 1936.2103 107.7190 2.2671 -1092.3553 0.0000 0.0000 2761.0615 6236.5128 304.9669 3475.4513 6271.9076 303.0105 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: 6472.44, 0.00391852/step Wall: 6472.44, 0.00391852/step, 0.970923 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1608000 653.9014 1833.5766 1980.1240 101.3199 3.4595 -1063.3441 0.0000 0.0000 2687.5783 6196.6157 296.8505 3509.0373 6229.0808 300.7597 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: 6473.22, 0.00391026/step Wall: 6473.22, 0.00391026/step, 0.968658 hours remaining, 114.218750 MB of memory in use. ENERGY: 1608200 637.4358 1882.2068 1930.4824 106.3797 3.9415 -1052.8098 0.0000 0.0000 2748.3591 6255.9956 303.5639 3507.6365 6287.2504 300.9121 LDB: ============= START OF LOAD BALANCING ============== 6475.92 LDB: ============== END OF LOAD BALANCING =============== 6475.92 LDB: =============== DONE WITH MIGRATION ================ 6475.92 LDB: ============= START OF LOAD BALANCING ============== 6476.31 LDB: ============== END OF LOAD BALANCING =============== 6476.31 LDB: =============== DONE WITH MIGRATION ================ 6476.31 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: 6474, 0.00392166/step Wall: 6474, 0.00392166/step, 0.971266 hours remaining, 114.218750 MB of memory in use. ENERGY: 1608400 671.9544 1904.0749 1967.6362 107.9310 2.4033 -1093.0800 0.0000 0.0000 2659.0619 6219.9817 293.7008 3560.9199 6251.0724 302.0631 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: 6474.79, 0.00391792/step Wall: 6474.79, 0.00391792/step, 0.970122 hours remaining, 114.218750 MB of memory in use. ENERGY: 1608600 656.7081 1809.6954 1976.8347 117.1081 4.1014 -1078.6963 0.0000 0.0000 2785.8333 6271.5848 307.7031 3485.7515 6308.1156 302.8939 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: 6475.57, 0.00391576/step Wall: 6475.57, 0.00391576/step, 0.969367 hours remaining, 114.218750 MB of memory in use. ENERGY: 1608800 660.9840 1850.0984 1949.0694 114.3615 3.2611 -1070.2649 0.0000 0.0000 2706.5395 6214.0491 298.9448 3507.5096 6247.1367 302.3287 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: 6476.35, 0.00391691/step Wall: 6476.35, 0.00391691/step, 0.969435 hours remaining, 114.218750 MB of memory in use. ENERGY: 1609000 674.8069 1835.1876 1976.1094 110.1982 3.2860 -1114.0216 0.0000 0.0000 2703.2394 6188.8058 298.5803 3485.5665 6222.0521 299.2140 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: 6477.13, 0.00390904/step Wall: 6477.13, 0.00390904/step, 0.96727 hours remaining, 114.218750 MB of memory in use. ENERGY: 1609200 621.3172 1827.4925 2005.7636 100.7041 3.4329 -1110.9378 0.0000 0.0000 2686.9054 6134.6778 296.7762 3447.7725 6167.7860 297.8344 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: 6477.92, 0.00391688/step Wall: 6477.92, 0.00391688/step, 0.968991 hours remaining, 114.218750 MB of memory in use. ENERGY: 1609400 636.7461 1831.5372 1956.8525 113.4579 2.8864 -1118.5685 0.0000 0.0000 2708.6925 6131.6040 299.1826 3422.9115 6165.8849 296.8169 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: 6478.7, 0.00392307/step Wall: 6478.7, 0.00392307/step, 0.970306 hours remaining, 114.218750 MB of memory in use. ENERGY: 1609600 644.0712 1885.9113 1977.8810 101.7576 2.9947 -1131.5369 0.0000 0.0000 2711.5596 6192.6384 299.4993 3481.0788 6226.9193 298.1246 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: 6479.48, 0.00391479/step Wall: 6479.48, 0.00391479/step, 0.968039 hours remaining, 114.218750 MB of memory in use. ENERGY: 1609800 648.5307 1916.9663 1969.6193 111.9546 2.7407 -1081.7498 0.0000 0.0000 2710.4341 6278.4958 299.3750 3568.0617 6308.9829 301.2276 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: 6480.27, 0.00391696/step Wall: 6480.27, 0.00391695/step, 0.968358 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1610000 674.4909 1866.4887 1968.0879 103.6810 2.8533 -1109.0722 0.0000 0.0000 2742.6966 6249.2261 302.9385 3506.5296 6281.3289 302.8489 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1610000 WRITING COORDINATES TO DCD FILE MD.1.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: 6481.09, 0.00410626/step Wall: 6481.09, 0.00410626/step, 1.01493 hours remaining, 114.218750 MB of memory in use. ENERGY: 1610200 649.0563 1881.5550 1978.2020 109.7914 1.7581 -1090.7933 0.0000 0.0000 2731.1514 6260.7210 301.6633 3529.5695 6296.5357 302.8856 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: 6481.87, 0.00391561/step Wall: 6481.87, 0.00391561/step, 0.96759 hours remaining, 114.218750 MB of memory in use. ENERGY: 1610400 663.2410 1852.1995 1968.6521 105.9262 3.1814 -1102.2926 0.0000 0.0000 2801.1373 6292.0450 309.3934 3490.9077 6328.9212 304.9011 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: 6482.66, 0.00391481/step Wall: 6482.66, 0.00391481/step, 0.967176 hours remaining, 114.218750 MB of memory in use. ENERGY: 1610600 678.3932 1906.2811 1979.9259 116.0424 2.8674 -1109.1361 0.0000 0.0000 2750.5346 6324.9085 303.8042 3574.3739 6353.8789 305.7678 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: 6483.44, 0.00391542/step Wall: 6483.44, 0.00391542/step, 0.967109 hours remaining, 114.218750 MB of memory in use. ENERGY: 1610800 633.0327 1860.2243 1959.6032 115.2263 2.9292 -1066.6195 0.0000 0.0000 2747.0544 6251.4505 303.4198 3504.3961 6286.5524 305.2995 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: 6484.22, 0.00390842/step Wall: 6484.22, 0.00390842/step, 0.965163 hours remaining, 114.218750 MB of memory in use. ENERGY: 1611000 671.7308 1900.1267 1940.4826 127.5052 3.2409 -1091.5854 0.0000 0.0000 2727.3834 6278.8842 301.2471 3551.5008 6309.9845 303.7941 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: 6485, 0.00391514/step Wall: 6485, 0.00391514/step, 0.966604 hours remaining, 114.218750 MB of memory in use. ENERGY: 1611200 667.2244 1844.7042 1994.7093 131.4183 2.7572 -1060.7933 0.0000 0.0000 2706.0454 6286.0655 298.8903 3580.0201 6319.0341 304.5890 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: 6485.79, 0.00391388/step Wall: 6485.79, 0.00391387/step, 0.966075 hours remaining, 114.218750 MB of memory in use. ENERGY: 1611400 696.6835 1854.8510 1995.5160 106.1764 1.1935 -1147.4510 0.0000 0.0000 2731.9628 6238.9322 301.7529 3506.9694 6272.8393 303.5278 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: 6486.57, 0.00391575/step Wall: 6486.57, 0.00391576/step, 0.966322 hours remaining, 114.218750 MB of memory in use. ENERGY: 1611600 652.0880 1871.3268 1939.3659 102.8806 3.3927 -1088.7836 0.0000 0.0000 2733.0804 6213.3509 301.8763 3480.2705 6246.9280 299.2807 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: 6487.35, 0.0039139/step Wall: 6487.35, 0.0039139/step, 0.965645 hours remaining, 114.218750 MB of memory in use. ENERGY: 1611800 669.1249 1885.5044 1935.8011 121.9938 3.4669 -1096.1331 0.0000 0.0000 2671.2736 6191.0317 295.0496 3519.7581 6223.4755 299.7826 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: 6488.13, 0.00390894/step Wall: 6488.13, 0.00390894/step, 0.964205 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1612000 665.8194 1782.4278 1935.6265 97.8098 3.1897 -1114.0996 0.0000 0.0000 2731.9272 6102.7009 301.7490 3370.7736 6135.4207 297.6437 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: 6488.92, 0.00392838/step Wall: 6488.92, 0.00392838/step, 0.968783 hours remaining, 114.218750 MB of memory in use. ENERGY: 1612200 639.3927 1846.8100 1980.0379 119.9635 1.7783 -1067.3169 0.0000 0.0000 2615.8241 6136.4894 288.9251 3520.6654 6168.2677 296.9462 LDB: ============= START OF LOAD BALANCING ============== 6491.62 LDB: ============== END OF LOAD BALANCING =============== 6491.62 LDB: =============== DONE WITH MIGRATION ================ 6491.62 LDB: ============= START OF LOAD BALANCING ============== 6492.01 LDB: ============== END OF LOAD BALANCING =============== 6492.01 LDB: =============== DONE WITH MIGRATION ================ 6492.01 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: 6489.7, 0.00391959/step Wall: 6489.7, 0.00391959/step, 0.966397 hours remaining, 114.218750 MB of memory in use. ENERGY: 1612400 661.3478 1833.5041 1987.3078 96.5690 2.7280 -1113.7547 0.0000 0.0000 2639.6519 6107.3537 291.5569 3467.7018 6139.5060 295.1716 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: 6490.49, 0.00391678/step Wall: 6490.49, 0.00391678/step, 0.965487 hours remaining, 114.218750 MB of memory in use. ENERGY: 1612600 669.9320 1811.2521 1942.0653 101.2192 3.4125 -1059.7466 0.0000 0.0000 2667.9628 6136.0972 294.6839 3468.1344 6170.3293 297.6249 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: 6491.27, 0.003908/step Wall: 6491.27, 0.003908/step, 0.963106 hours remaining, 114.218750 MB of memory in use. ENERGY: 1612800 659.8789 1790.7732 1958.3084 107.6074 3.1557 -1088.6573 0.0000 0.0000 2710.8446 6141.9109 299.4203 3431.0662 6175.9531 296.4684 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: 6492.05, 0.00391206/step Wall: 6492.05, 0.00391206/step, 0.963888 hours remaining, 114.218750 MB of memory in use. ENERGY: 1613000 651.4839 1792.1800 1969.1240 108.1729 3.8341 -1098.6241 0.0000 0.0000 2735.9610 6162.1318 302.1945 3426.1708 6196.6030 297.7711 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: 6492.83, 0.00391396/step Wall: 6492.83, 0.00391396/step, 0.964139 hours remaining, 114.218750 MB of memory in use. ENERGY: 1613200 667.0645 1787.9033 1998.5217 103.8898 2.0244 -1111.9711 0.0000 0.0000 2707.6634 6155.0960 299.0690 3447.4326 6185.3676 298.3029 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: 6493.62, 0.00391316/step Wall: 6493.62, 0.00391316/step, 0.963725 hours remaining, 114.218750 MB of memory in use. ENERGY: 1613400 664.2328 1774.4180 1979.9523 110.5235 4.3479 -1103.2727 0.0000 0.0000 2706.7458 6136.9477 298.9676 3430.2019 6172.5717 297.0023 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: 6494.4, 0.00391463/step Wall: 6494.4, 0.00391463/step, 0.963869 hours remaining, 114.218750 MB of memory in use. ENERGY: 1613600 658.3038 1821.9571 1967.4298 95.2555 1.7661 -1106.7615 0.0000 0.0000 2661.3184 6099.2692 293.9500 3437.9508 6131.9771 296.4781 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: 6495.18, 0.00390857/step Wall: 6495.18, 0.00390857/step, 0.962161 hours remaining, 114.218750 MB of memory in use. ENERGY: 1613800 668.1221 1847.1486 1957.3057 101.9732 2.2128 -1123.6084 0.0000 0.0000 2680.7771 6133.9309 296.0993 3453.1539 6167.7261 296.4937 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: 6495.96, 0.00391331/step Wall: 6495.96, 0.00391331/step, 0.963108 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1614000 630.6133 1796.9649 1963.9318 102.8753 2.4340 -1093.7047 0.0000 0.0000 2716.8073 6119.9218 300.0789 3403.1145 6154.1422 296.0932 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: 6496.75, 0.00391487/step Wall: 6496.75, 0.00391487/step, 0.963276 hours remaining, 114.218750 MB of memory in use. ENERGY: 1614200 637.3119 1809.9704 1967.8470 108.9811 2.3793 -1129.3008 0.0000 0.0000 2746.5461 6143.7350 303.3637 3397.1889 6176.8388 297.9802 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: 6497.53, 0.00391294/step Wall: 6497.53, 0.00391294/step, 0.962583 hours remaining, 114.218750 MB of memory in use. ENERGY: 1614400 630.1366 1893.9439 1952.9837 119.6567 1.6197 -1095.7198 0.0000 0.0000 2689.1805 6191.8012 297.0275 3502.6207 6223.5978 298.6785 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: 6498.31, 0.00391403/step Wall: 6498.31, 0.00391403/step, 0.962634 hours remaining, 114.218750 MB of memory in use. ENERGY: 1614600 666.7947 1789.1532 1948.6702 116.2121 2.0644 -1068.8094 0.0000 0.0000 2690.5618 6144.6469 297.1800 3454.0851 6177.6004 299.4075 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: 6499.09, 0.00390827/step Wall: 6499.09, 0.00390827/step, 0.961 hours remaining, 114.218750 MB of memory in use. ENERGY: 1614800 607.5640 1822.0597 1945.7808 112.3030 2.2684 -1048.8160 0.0000 0.0000 2708.8368 6149.9967 299.1986 3441.1599 6182.8764 298.6037 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: 6499.88, 0.00391371/step Wall: 6499.88, 0.00391371/step, 0.962122 hours remaining, 114.218750 MB of memory in use. ENERGY: 1615000 658.2671 1805.8440 1943.6334 116.2834 3.5307 -1100.2534 0.0000 0.0000 2714.6253 6141.9305 299.8379 3427.3052 6176.7534 298.7525 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: 6500.66, 0.00391676/step Wall: 6500.66, 0.00391676/step, 0.962652 hours remaining, 114.218750 MB of memory in use. ENERGY: 1615200 654.7181 1877.1787 1937.6656 124.1800 1.5513 -1096.7177 0.0000 0.0000 2724.6319 6223.2078 300.9432 3498.5760 6255.0245 299.1819 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: 6501.44, 0.00391405/step Wall: 6501.44, 0.00391405/step, 0.961768 hours remaining, 114.218750 MB of memory in use. ENERGY: 1615400 660.2845 1857.4630 1968.2355 118.3387 2.4023 -1131.2886 0.0000 0.0000 2695.1392 6170.5747 297.6856 3475.4355 6202.8438 299.7757 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: 6502.22, 0.00390686/step Wall: 6502.22, 0.00390686/step, 0.959785 hours remaining, 114.218750 MB of memory in use. ENERGY: 1615600 676.4174 1787.2847 1971.2290 105.6813 3.2709 -1103.6675 0.0000 0.0000 2711.8615 6152.0772 299.5327 3440.2157 6183.7632 296.9362 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: 6503.01, 0.00391521/step Wall: 6503.01, 0.00391521/step, 0.961618 hours remaining, 114.218750 MB of memory in use. ENERGY: 1615800 673.8882 1801.7571 2019.0099 107.8776 2.1651 -1115.8996 0.0000 0.0000 2684.7243 6173.5226 296.5353 3488.7983 6208.5531 297.3183 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: 6503.79, 0.00391507/step Wall: 6503.79, 0.00391507/step, 0.961366 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1616000 663.7159 1842.2321 1968.8215 117.1667 2.3725 -1083.9575 0.0000 0.0000 2660.8560 6171.2073 293.8990 3510.3513 6205.6071 297.2577 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: 6504.57, 0.00391607/step Wall: 6504.57, 0.00391607/step, 0.961395 hours remaining, 114.218750 MB of memory in use. ENERGY: 1616200 636.4139 1904.9768 1964.5279 109.3744 1.4497 -1124.0321 0.0000 0.0000 2713.9365 6206.6471 299.7618 3492.7106 6241.5261 300.4477 LDB: ============= START OF LOAD BALANCING ============== 6507.27 LDB: ============== END OF LOAD BALANCING =============== 6507.27 LDB: =============== DONE WITH MIGRATION ================ 6507.27 LDB: ============= START OF LOAD BALANCING ============== 6507.67 LDB: ============== END OF LOAD BALANCING =============== 6507.67 LDB: =============== DONE WITH MIGRATION ================ 6507.67 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: 6505.36, 0.00392011/step Wall: 6505.36, 0.00392011/step, 0.962169 hours remaining, 114.218750 MB of memory in use. ENERGY: 1616400 662.9335 1791.1577 1979.8015 93.5881 2.8923 -1117.9090 0.0000 0.0000 2753.8872 6166.3513 304.1745 3412.4641 6198.8975 300.2199 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: 6506.14, 0.00390846/step Wall: 6506.14, 0.00390846/step, 0.959093 hours remaining, 114.218750 MB of memory in use. ENERGY: 1616600 693.8365 1840.6815 1954.4501 101.6288 2.4613 -1083.6069 0.0000 0.0000 2743.0380 6252.4894 302.9762 3509.4514 6288.7932 301.0816 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: 6506.92, 0.00391632/step Wall: 6506.92, 0.00391632/step, 0.960804 hours remaining, 114.218750 MB of memory in use. ENERGY: 1616800 682.3197 1869.3866 1958.2830 95.7016 3.8019 -1078.7903 0.0000 0.0000 2761.8849 6292.5874 305.0579 3530.7025 6329.1659 303.7046 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: 6507.7, 0.00391548/step Wall: 6507.7, 0.00391548/step, 0.96038 hours remaining, 114.218750 MB of memory in use. ENERGY: 1617000 648.2996 1856.1336 1942.2829 103.4918 3.6591 -1077.5395 0.0000 0.0000 2757.9386 6234.2661 304.6220 3476.3276 6266.5405 303.5416 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: 6508.49, 0.00391761/step Wall: 6508.49, 0.00391761/step, 0.960685 hours remaining, 114.218750 MB of memory in use. ENERGY: 1617200 662.7637 1826.0225 1972.6719 103.3117 3.2222 -1047.8104 0.0000 0.0000 2739.5304 6259.7121 302.5888 3520.1816 6295.0295 302.0040 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: 6509.27, 0.0039088/step Wall: 6509.27, 0.0039088/step, 0.958308 hours remaining, 114.218750 MB of memory in use. ENERGY: 1617400 646.5468 1793.3558 2006.1501 111.2963 1.8833 -1103.2364 0.0000 0.0000 2751.3531 6207.3490 303.8946 3455.9959 6244.2262 301.9995 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: 6510.05, 0.00391484/step Wall: 6510.05, 0.00391484/step, 0.959571 hours remaining, 114.218750 MB of memory in use. ENERGY: 1617600 655.4855 1895.0760 1960.2301 109.2952 3.4386 -1133.3092 0.0000 0.0000 2737.8234 6228.0397 302.4002 3490.2163 6261.1805 301.7997 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: 6510.84, 0.00391901/step Wall: 6510.84, 0.00391901/step, 0.960375 hours remaining, 114.218750 MB of memory in use. ENERGY: 1617800 658.0925 1858.8986 1990.3870 111.0606 3.4437 -1079.4829 0.0000 0.0000 2689.7816 6232.1810 297.0939 3542.3995 6262.0070 301.5595 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: 6511.62, 0.00391683/step Wall: 6511.62, 0.00391683/step, 0.959623 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1618000 669.8155 1874.0372 1976.0296 104.0191 4.0005 -1108.7796 0.0000 0.0000 2725.3479 6244.4702 301.0223 3519.1223 6278.6251 301.8625 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: 6512.4, 0.00391584/step Wall: 6512.4, 0.00391584/step, 0.959162 hours remaining, 114.218750 MB of memory in use. ENERGY: 1618200 645.3460 1864.7864 1963.3081 97.7586 4.4182 -1094.0287 0.0000 0.0000 2741.6085 6223.1971 302.8183 3481.5887 6258.1874 301.9596 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: 6513.19, 0.00390948/step Wall: 6513.19, 0.00390948/step, 0.957388 hours remaining, 114.218750 MB of memory in use. ENERGY: 1618400 652.6150 1810.3515 1948.3706 99.8527 3.2644 -1078.1992 0.0000 0.0000 2804.0637 6240.3187 309.7166 3436.2550 6275.9775 302.0119 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: 6513.97, 0.00391398/step Wall: 6513.97, 0.00391398/step, 0.958273 hours remaining, 114.218750 MB of memory in use. ENERGY: 1618600 632.0263 1858.7782 1968.3210 106.2435 2.8070 -1086.6980 0.0000 0.0000 2715.5626 6197.0406 299.9415 3481.4781 6230.5289 302.3498 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: 6514.75, 0.00391606/step Wall: 6514.75, 0.00391606/step, 0.958564 hours remaining, 114.218750 MB of memory in use. ENERGY: 1618800 691.1801 1824.5463 1958.0896 110.5188 4.1543 -1121.0250 0.0000 0.0000 2726.1266 6193.5906 301.1083 3467.4641 6224.8238 302.3889 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: 6515.53, 0.003915/step Wall: 6515.53, 0.003915/step, 0.958086 hours remaining, 114.218750 MB of memory in use. ENERGY: 1619000 650.4695 1871.3380 1975.9095 116.4337 2.8018 -1150.0771 0.0000 0.0000 2686.3711 6153.2464 296.7172 3466.8754 6184.1385 300.8000 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: 6516.32, 0.00390715/step Wall: 6516.32, 0.00390715/step, 0.955951 hours remaining, 114.218750 MB of memory in use. ENERGY: 1619200 626.2684 1818.1805 1949.1561 106.2218 2.3283 -1095.8555 0.0000 0.0000 2749.6214 6155.9210 303.7033 3406.2996 6188.2021 298.6051 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: 6517.1, 0.00391423/step Wall: 6517.1, 0.00391423/step, 0.957464 hours remaining, 114.218750 MB of memory in use. ENERGY: 1619400 622.9007 1876.1294 1980.7133 106.9352 2.2169 -1102.9677 0.0000 0.0000 2711.2190 6197.1466 299.4617 3485.9277 6227.8517 298.9505 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: 6517.88, 0.00392328/step Wall: 6517.88, 0.00392328/step, 0.959459 hours remaining, 114.218750 MB of memory in use. ENERGY: 1619600 655.8176 1851.2194 1968.2745 108.5640 3.7577 -1073.4318 0.0000 0.0000 2689.5790 6203.7803 297.0715 3514.2013 6236.6809 300.7414 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: 6518.67, 0.00391542/step Wall: 6518.67, 0.00391542/step, 0.957321 hours remaining, 114.218750 MB of memory in use. ENERGY: 1619800 649.6640 1842.9621 1959.2958 116.7137 3.2506 -1110.8326 0.0000 0.0000 2742.3857 6203.4394 302.9041 3461.0537 6236.2032 300.7939 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: 6519.45, 0.00391325/step Wall: 6519.45, 0.00391325/step, 0.956571 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1620000 682.9991 1808.6389 1986.5770 115.9577 2.7009 -1100.1557 0.0000 0.0000 2688.8990 6185.6168 296.9964 3496.7178 6216.8698 300.5450 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1620000 WRITING COORDINATES TO DCD FILE MD.1.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: 6520.28, 0.00415563/step Wall: 6520.28, 0.00415563/step, 1.01559 hours remaining, 114.218750 MB of memory in use. ENERGY: 1620200 634.4336 1865.5646 1944.9890 100.0063 3.5104 -1118.1351 0.0000 0.0000 2690.7878 6121.1567 297.2050 3430.3689 6153.1153 296.8476 LDB: ============= START OF LOAD BALANCING ============== 6522.98 LDB: ============== END OF LOAD BALANCING =============== 6522.98 LDB: =============== DONE WITH MIGRATION ================ 6522.98 LDB: ============= START OF LOAD BALANCING ============== 6523.37 LDB: ============== END OF LOAD BALANCING =============== 6523.37 LDB: =============== DONE WITH MIGRATION ================ 6523.37 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: 6521.06, 0.00391757/step Wall: 6521.06, 0.00391757/step, 0.957193 hours remaining, 114.218750 MB of memory in use. ENERGY: 1620400 631.6813 1823.3874 1948.7333 117.9292 3.1051 -1120.5623 0.0000 0.0000 2723.6915 6127.9654 300.8393 3404.2739 6162.0722 297.5238 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: 6521.85, 0.00391252/step Wall: 6521.85, 0.00391252/step, 0.955742 hours remaining, 114.218750 MB of memory in use. ENERGY: 1620600 650.2035 1843.5620 1966.7581 94.5348 2.1569 -1125.7092 0.0000 0.0000 2716.6595 6148.1656 300.0626 3431.5061 6180.5148 297.7895 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: 6522.63, 0.00391271/step Wall: 6522.63, 0.00391271/step, 0.955571 hours remaining, 114.218750 MB of memory in use. ENERGY: 1620800 669.3262 1849.2258 1970.9532 122.8831 2.0627 -1078.0727 0.0000 0.0000 2639.1304 6175.5086 291.4993 3536.3782 6204.9972 298.5959 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: 6523.41, 0.00391145/step Wall: 6523.41, 0.00391145/step, 0.955046 hours remaining, 114.218750 MB of memory in use. ENERGY: 1621000 640.8898 1882.7222 1951.0897 106.8487 3.1267 -1066.9348 0.0000 0.0000 2675.5556 6193.2978 295.5226 3517.7422 6226.2991 297.5926 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: 6524.19, 0.0039065/step Wall: 6524.19, 0.0039065/step, 0.95362 hours remaining, 114.218750 MB of memory in use. ENERGY: 1621200 634.4005 1875.0137 1965.6760 108.2877 1.0310 -1098.8172 0.0000 0.0000 2688.2021 6173.7938 296.9194 3485.5917 6207.5211 299.7330 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: 6524.98, 0.00391397/step Wall: 6524.98, 0.00391397/step, 0.955226 hours remaining, 114.218750 MB of memory in use. ENERGY: 1621400 678.2559 1830.0563 1957.0053 105.4811 2.5036 -1084.7850 0.0000 0.0000 2771.8942 6260.4114 306.1634 3488.5172 6293.2689 304.0068 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: 6525.76, 0.00391412/step Wall: 6525.76, 0.00391412/step, 0.955046 hours remaining, 114.218750 MB of memory in use. ENERGY: 1621600 693.0506 1861.5244 1930.9553 117.7753 1.8207 -1091.1078 0.0000 0.0000 2690.2835 6204.3021 297.1493 3514.0186 6235.0266 301.9915 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: 6526.54, 0.00391513/step Wall: 6526.54, 0.00391513/step, 0.955074 hours remaining, 114.218750 MB of memory in use. ENERGY: 1621800 656.8662 1866.7824 1992.2055 93.5318 3.2545 -1107.2526 0.0000 0.0000 2665.3275 6170.7152 294.3928 3505.3877 6203.8417 299.5007 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: 6527.32, 0.00390839/step Wall: 6527.32, 0.00390839/step, 0.953213 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1622000 673.0691 1869.6551 1962.5702 119.5180 3.6365 -1103.8198 0.0000 0.0000 2678.6296 6203.2586 295.8621 3524.6290 6235.4703 299.3204 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: 6528.11, 0.00391451/step Wall: 6528.11, 0.00391451/step, 0.954489 hours remaining, 114.218750 MB of memory in use. ENERGY: 1622200 677.5897 1844.4307 1938.5573 96.7352 2.1330 -1111.4971 0.0000 0.0000 2721.0827 6169.0315 300.5512 3447.9487 6205.0351 300.3539 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: 6528.89, 0.00391443/step Wall: 6528.89, 0.00391443/step, 0.954251 hours remaining, 114.218750 MB of memory in use. ENERGY: 1622400 668.3681 1858.7545 1936.5221 103.1557 2.1733 -1107.6182 0.0000 0.0000 2717.0777 6178.4333 300.1088 3461.3556 6213.4758 298.9563 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: 6529.67, 0.003914/step Wall: 6529.67, 0.003914/step, 0.953928 hours remaining, 114.218750 MB of memory in use. ENERGY: 1622600 642.8369 1815.4494 1991.5282 105.4392 2.5555 -1120.0132 0.0000 0.0000 2702.3736 6140.1696 298.4847 3437.7960 6172.5414 296.7019 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: 6530.45, 0.00391575/step Wall: 6530.45, 0.00391575/step, 0.954138 hours remaining, 114.218750 MB of memory in use. ENERGY: 1622800 655.5198 1853.6383 1982.9912 103.7153 2.5641 -1079.0372 0.0000 0.0000 2629.6717 6149.0633 290.4546 3519.3916 6179.4090 296.9988 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: 6531.24, 0.00390807/step Wall: 6531.24, 0.00390807/step, 0.952048 hours remaining, 114.218750 MB of memory in use. ENERGY: 1623000 658.7770 1798.5307 1990.6840 112.9218 0.9125 -1130.1189 0.0000 0.0000 2731.1523 6162.8593 301.6634 3431.7070 6199.4906 297.4203 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: 6532.02, 0.00391528/step Wall: 6532.02, 0.00391528/step, 0.953588 hours remaining, 114.218750 MB of memory in use. ENERGY: 1623200 654.8879 1854.9755 1968.1651 109.0641 2.4723 -1090.8690 0.0000 0.0000 2687.3972 6186.0933 296.8305 3498.6960 6219.2486 301.3955 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: 6532.8, 0.00391584/step Wall: 6532.8, 0.00391584/step, 0.953507 hours remaining, 114.218750 MB of memory in use. ENERGY: 1623400 665.9693 1822.9617 1939.0189 109.7355 2.8312 -1079.1082 0.0000 0.0000 2678.9129 6140.3213 295.8934 3461.4084 6173.8300 299.4668 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: 6533.59, 0.00391517/step Wall: 6533.59, 0.00391517/step, 0.953126 hours remaining, 114.218750 MB of memory in use. ENERGY: 1623600 648.3886 1829.0052 1942.9721 113.3017 1.5597 -1119.1927 0.0000 0.0000 2713.2671 6129.3016 299.6879 3416.0345 6161.0459 295.7565 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: 6534.37, 0.00391542/step Wall: 6534.37, 0.00391541/step, 0.952968 hours remaining, 114.218750 MB of memory in use. ENERGY: 1623800 652.4719 1794.4440 1955.8724 100.9560 2.4759 -1097.4978 0.0000 0.0000 2670.8637 6079.5860 295.0043 3408.7223 6112.8281 293.3560 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: 6535.15, 0.00391071/step Wall: 6535.15, 0.00391072/step, 0.951607 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1624000 658.5920 1817.4383 1944.4560 103.0580 2.6187 -1075.0071 0.0000 0.0000 2673.2860 6124.4418 295.2719 3451.1559 6156.4101 296.2027 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: 6535.93, 0.00391602/step Wall: 6535.93, 0.00391602/step, 0.952682 hours remaining, 114.218750 MB of memory in use. ENERGY: 1624200 642.4838 1844.3265 1952.4901 96.7243 2.2947 -1091.2653 0.0000 0.0000 2639.9066 6086.9607 291.5850 3447.0541 6122.0927 295.8367 LDB: ============= START OF LOAD BALANCING ============== 6538.63 LDB: ============== END OF LOAD BALANCING =============== 6538.63 LDB: =============== DONE WITH MIGRATION ================ 6538.63 LDB: ============= START OF LOAD BALANCING ============== 6539.03 LDB: ============== END OF LOAD BALANCING =============== 6539.03 LDB: =============== DONE WITH MIGRATION ================ 6539.03 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: 6536.72, 0.00391956/step Wall: 6536.72, 0.00391956/step, 0.953324 hours remaining, 114.218750 MB of memory in use. ENERGY: 1624400 651.2970 1790.6074 1949.2884 109.9704 1.9420 -1127.0610 0.0000 0.0000 2735.3183 6111.3624 302.1235 3376.0441 6145.2447 294.0042 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: 6537.5, 0.0039146/step Wall: 6537.5, 0.0039146/step, 0.9519 hours remaining, 114.218750 MB of memory in use. ENERGY: 1624600 647.7557 1857.0128 1931.0862 109.6404 1.3327 -1136.1530 0.0000 0.0000 2706.7050 6117.3798 298.9631 3410.6748 6151.5062 295.4830 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: 6538.28, 0.00390949/step Wall: 6538.28, 0.00390949/step, 0.95044 hours remaining, 114.218750 MB of memory in use. ENERGY: 1624800 644.6848 1825.3184 1970.5536 97.1068 2.3797 -1117.7865 0.0000 0.0000 2683.6247 6105.8815 296.4138 3422.2568 6135.3648 294.5524 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: 6539.07, 0.00391397/step Wall: 6539.07, 0.00391398/step, 0.951314 hours remaining, 114.218750 MB of memory in use. ENERGY: 1625000 658.0936 1770.7008 1992.2091 106.2957 2.3460 -1112.4949 0.0000 0.0000 2725.1473 6142.2977 301.0001 3417.1503 6171.9064 294.9214 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: 6539.85, 0.00391318/step Wall: 6539.85, 0.00391318/step, 0.950903 hours remaining, 114.218750 MB of memory in use. ENERGY: 1625200 645.5097 1828.2735 1979.7011 111.9254 2.8766 -1092.9011 0.0000 0.0000 2652.0739 6127.4592 292.9290 3475.3852 6158.6691 297.2287 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: 6540.63, 0.00391619/step Wall: 6540.63, 0.00391619/step, 0.951417 hours remaining, 114.218750 MB of memory in use. ENERGY: 1625400 628.4848 1761.4093 1985.5065 131.0044 2.0792 -1084.6307 0.0000 0.0000 2699.5379 6123.3913 298.1715 3423.8534 6157.9699 295.2734 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: 6541.41, 0.00391518/step Wall: 6541.41, 0.00391518/step, 0.950953 hours remaining, 114.218750 MB of memory in use. ENERGY: 1625600 623.3443 1793.9237 1951.8309 107.4743 1.1223 -1067.9941 0.0000 0.0000 2723.5214 6133.2230 300.8205 3409.7016 6168.3417 294.7245 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: 6542.2, 0.00390793/step Wall: 6542.2, 0.00390793/step, 0.948977 hours remaining, 114.218750 MB of memory in use. ENERGY: 1625800 677.4206 1806.6111 1964.9726 115.3296 1.4278 -1104.8675 0.0000 0.0000 2749.9930 6210.8873 303.7444 3460.8942 6242.1248 297.7783 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: 6542.98, 0.00391449/step Wall: 6542.98, 0.00391449/step, 0.950351 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1626000 648.3716 1813.1014 1994.5188 120.5882 2.0414 -1088.9621 0.0000 0.0000 2700.1265 6189.7859 298.2365 3489.6594 6219.4533 300.2407 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: 6543.76, 0.00391483/step Wall: 6543.76, 0.00391483/step, 0.950216 hours remaining, 114.218750 MB of memory in use. ENERGY: 1626200 652.1295 1830.7337 1967.5977 98.3691 1.4318 -1138.8828 0.0000 0.0000 2764.0406 6175.4195 305.2960 3411.3789 6211.9842 298.8673 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: 6544.54, 0.00391466/step Wall: 6544.54, 0.00391466/step, 0.949958 hours remaining, 114.218750 MB of memory in use. ENERGY: 1626400 650.9909 1841.5529 1988.1978 99.6330 1.1968 -1096.1520 0.0000 0.0000 2722.6011 6208.0205 300.7189 3485.4194 6243.5357 301.2044 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: 6545.33, 0.00390864/step Wall: 6545.33, 0.00390864/step, 0.948281 hours remaining, 114.218750 MB of memory in use. ENERGY: 1626600 635.2188 1821.1821 1958.4644 129.0387 1.2324 -1088.6998 0.0000 0.0000 2714.2279 6170.6646 299.7940 3456.4366 6200.8374 299.6920 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: 6546.11, 0.00391274/step Wall: 6546.11, 0.00391274/step, 0.949058 hours remaining, 114.218750 MB of memory in use. ENERGY: 1626800 685.9287 1856.3172 1966.9382 103.2534 3.1882 -1117.1865 0.0000 0.0000 2703.5378 6201.9769 298.6133 3498.4391 6235.5237 299.6284 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: 6546.89, 0.0039136/step Wall: 6546.89, 0.0039136/step, 0.949047 hours remaining, 114.218750 MB of memory in use. ENERGY: 1627000 643.0565 1811.4211 1958.7090 106.7522 2.9728 -1090.1681 0.0000 0.0000 2743.4056 6176.1490 303.0168 3432.7434 6212.7485 299.8916 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: 6547.67, 0.00391303/step Wall: 6547.67, 0.00391303/step, 0.948693 hours remaining, 114.218750 MB of memory in use. ENERGY: 1627200 646.0204 1821.2248 1992.9625 111.3682 3.4521 -1092.9186 0.0000 0.0000 2718.2077 6200.3171 300.2336 3482.1094 6232.1330 298.1265 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: 6548.46, 0.00392874/step Wall: 6548.46, 0.00392874/step, 0.952282 hours remaining, 114.218750 MB of memory in use. ENERGY: 1627400 653.9510 1796.4060 1999.1912 110.8729 3.0387 -1079.7593 0.0000 0.0000 2718.9972 6202.6977 300.3208 3483.7004 6233.2975 299.8546 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: 6549.24, 0.00390991/step Wall: 6549.24, 0.00390991/step, 0.947501 hours remaining, 114.218750 MB of memory in use. ENERGY: 1627600 643.4779 1852.0073 1951.9418 116.3746 2.9250 -1084.3404 0.0000 0.0000 2725.4250 6207.8112 301.0308 3482.3862 6241.4359 299.3167 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: 6550.03, 0.00391766/step Wall: 6550.03, 0.00391766/step, 0.949162 hours remaining, 114.218750 MB of memory in use. ENERGY: 1627800 674.6801 1852.9506 1942.8427 125.4156 3.5966 -1107.5372 0.0000 0.0000 2680.0189 6171.9674 296.0156 3491.9485 6203.7176 299.6956 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: 6550.81, 0.00391571/step Wall: 6550.81, 0.00391571/step, 0.948472 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1628000 660.2790 1834.3709 1967.1734 113.7490 3.7097 -1081.3007 0.0000 0.0000 2632.7377 6130.7189 290.7932 3497.9812 6160.0250 297.0839 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: 6551.59, 0.00391477/step Wall: 6551.59, 0.00391477/step, 0.948027 hours remaining, 114.218750 MB of memory in use. ENERGY: 1628200 635.0257 1779.3554 1985.1271 100.0295 3.5293 -1070.1239 0.0000 0.0000 2698.6308 6131.5740 298.0713 3432.9432 6163.3161 295.7641 LDB: ============= START OF LOAD BALANCING ============== 6554.29 LDB: ============== END OF LOAD BALANCING =============== 6554.29 LDB: =============== DONE WITH MIGRATION ================ 6554.29 LDB: ============= START OF LOAD BALANCING ============== 6554.68 LDB: ============== END OF LOAD BALANCING =============== 6554.68 LDB: =============== DONE WITH MIGRATION ================ 6554.68 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: 6552.37, 0.00391543/step Wall: 6552.37, 0.00391543/step, 0.947968 hours remaining, 114.218750 MB of memory in use. ENERGY: 1628400 630.3870 1829.7878 1965.0311 113.4671 3.6051 -1100.5472 0.0000 0.0000 2676.4501 6118.1810 295.6214 3441.7310 6150.5313 296.5411 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: 6553.16, 0.00391611/step Wall: 6553.16, 0.00391611/step, 0.947915 hours remaining, 114.218750 MB of memory in use. ENERGY: 1628600 628.6478 1838.3534 1938.5777 123.8745 1.9402 -1062.3689 0.0000 0.0000 2693.9122 6162.9369 297.5501 3469.0247 6195.8978 296.9731 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: 6553.94, 0.00391469/step Wall: 6553.94, 0.00391469/step, 0.947355 hours remaining, 114.218750 MB of memory in use. ENERGY: 1628800 638.2548 1811.2493 1955.5693 115.7612 1.7086 -1103.1753 0.0000 0.0000 2708.1050 6127.4729 299.1177 3419.3679 6162.6305 297.4345 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: 6554.72, 0.00391549/step Wall: 6554.72, 0.00391549/step, 0.947331 hours remaining, 114.218750 MB of memory in use. ENERGY: 1629000 677.4848 1827.9211 1964.5266 106.3085 2.8470 -1080.5168 0.0000 0.0000 2634.1198 6132.6910 290.9459 3498.5712 6164.7627 296.9471 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: 6555.51, 0.00391513/step Wall: 6555.51, 0.00391513/step, 0.947026 hours remaining, 114.218750 MB of memory in use. ENERGY: 1629200 657.1232 1770.2896 1955.9896 104.5672 3.1330 -1068.7834 0.0000 0.0000 2668.0406 6090.3597 294.6925 3422.3191 6124.6026 296.5737 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: 6556.29, 0.00391017/step Wall: 6556.29, 0.00391017/step, 0.945609 hours remaining, 114.218750 MB of memory in use. ENERGY: 1629400 611.9371 1834.9744 1973.8630 113.0959 4.2018 -1104.3153 0.0000 0.0000 2739.7794 6173.5363 302.6163 3433.7569 6203.0966 297.8147 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: 6557.07, 0.00391495/step Wall: 6557.07, 0.00391494/step, 0.946546 hours remaining, 114.218750 MB of memory in use. ENERGY: 1629600 653.1465 1892.9664 1963.2238 97.8421 3.4994 -1086.8393 0.0000 0.0000 2720.2916 6244.1305 300.4638 3523.8389 6272.8451 300.1393 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: 6557.86, 0.00392051/step Wall: 6557.86, 0.00392051/step, 0.947674 hours remaining, 114.218750 MB of memory in use. ENERGY: 1629800 659.0587 1840.9219 1952.4313 103.3589 2.7685 -1071.8763 0.0000 0.0000 2720.2774 6206.9405 300.4622 3486.6631 6241.7457 302.0579 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: 6558.64, 0.00391365/step Wall: 6558.64, 0.00391365/step, 0.945799 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1630000 668.7730 1808.8116 1968.7375 105.9050 2.7219 -1102.7648 0.0000 0.0000 2763.6367 6215.8208 305.2514 3452.1841 6249.9299 300.9797 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1630000 WRITING COORDINATES TO DCD FILE MD.1.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: 6561.62, 0.0149299/step Wall: 6561.62, 0.0149299/step, 3.60722 hours remaining, 114.218750 MB of memory in use. ENERGY: 1630200 651.8961 1839.3824 1947.0010 115.0666 1.7964 -1070.1334 0.0000 0.0000 2754.8746 6239.8837 304.2836 3485.0091 6271.5807 302.5072 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: 6562.41, 0.00390998/step Wall: 6562.41, 0.00390998/step, 0.944476 hours remaining, 114.218750 MB of memory in use. ENERGY: 1630400 680.9998 1814.9398 1966.6929 103.2111 2.2842 -1101.1897 0.0000 0.0000 2759.7251 6226.6633 304.8193 3466.9382 6262.4652 302.1099 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: 6563.19, 0.00391402/step Wall: 6563.19, 0.00391402/step, 0.945236 hours remaining, 114.218750 MB of memory in use. ENERGY: 1630600 687.5306 1858.4499 1955.4549 117.2667 1.6085 -1115.0140 0.0000 0.0000 2693.7663 6199.0630 297.5340 3505.2966 6230.1035 301.1877 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: 6563.97, 0.00391428/step Wall: 6563.97, 0.00391428/step, 0.945081 hours remaining, 114.218750 MB of memory in use. ENERGY: 1630800 628.3551 1806.1669 1973.0563 104.2638 4.1533 -1092.2648 0.0000 0.0000 2787.8441 6211.5747 307.9251 3423.7306 6241.4091 300.4223 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: 6564.76, 0.00391468/step Wall: 6564.76, 0.00391468/step, 0.94496 hours remaining, 114.218750 MB of memory in use. ENERGY: 1631000 658.7232 1871.9274 1956.4300 114.8395 3.4504 -1093.1451 0.0000 0.0000 2718.5027 6230.7281 300.2662 3512.2254 6264.9636 300.8258 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: 6565.54, 0.00391467/step Wall: 6565.54, 0.00391467/step, 0.944741 hours remaining, 114.218750 MB of memory in use. ENERGY: 1631200 674.5715 1905.7875 1966.7897 122.1552 2.9165 -1124.4199 0.0000 0.0000 2692.3672 6240.1676 297.3795 3547.8004 6271.6176 302.8240 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: 6566.32, 0.00390849/step Wall: 6566.32, 0.00390849/step, 0.943031 hours remaining, 114.218750 MB of memory in use. ENERGY: 1631400 659.2538 1861.6839 1950.3455 103.1460 2.3374 -1068.4536 0.0000 0.0000 2717.1048 6225.4178 300.1118 3508.3130 6258.7324 302.8137 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: 6567.1, 0.0039137/step Wall: 6567.1, 0.0039137/step, 0.944072 hours remaining, 114.218750 MB of memory in use. ENERGY: 1631600 638.2198 1872.6727 1964.0803 116.6198 2.8624 -1096.3315 0.0000 0.0000 2739.2128 6237.3363 302.5537 3498.1235 6269.6689 303.3890 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: 6567.89, 0.00391343/step Wall: 6567.89, 0.00391342/step, 0.943787 hours remaining, 114.218750 MB of memory in use. ENERGY: 1631800 641.8115 1888.3041 1969.6901 115.4052 2.9318 -1086.9206 0.0000 0.0000 2691.7433 6222.9655 297.3105 3531.2222 6255.0708 302.6550 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: 6568.67, 0.0039154/step Wall: 6568.67, 0.00391541/step, 0.944049 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1632000 634.2809 1828.4946 1946.5117 111.0762 3.0417 -1018.4148 0.0000 0.0000 2710.5710 6215.5613 299.3901 3504.9903 6247.3062 300.3137 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: 6569.45, 0.00391505/step Wall: 6569.45, 0.00391505/step, 0.943746 hours remaining, 114.218750 MB of memory in use. ENERGY: 1632200 668.7683 1872.7465 1969.0184 114.7870 3.1003 -1091.2147 0.0000 0.0000 2724.1180 6261.3239 300.8864 3537.2059 6292.3788 303.2338 LDB: ============= START OF LOAD BALANCING ============== 6572.15 LDB: ============== END OF LOAD BALANCING =============== 6572.15 LDB: =============== DONE WITH MIGRATION ================ 6572.15 LDB: ============= START OF LOAD BALANCING ============== 6572.54 LDB: ============== END OF LOAD BALANCING =============== 6572.54 LDB: =============== DONE WITH MIGRATION ================ 6572.54 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: 6570.23, 0.00391332/step Wall: 6570.23, 0.00391332/step, 0.943109 hours remaining, 114.218750 MB of memory in use. ENERGY: 1632400 643.3108 1886.5433 1958.0245 104.8641 2.8442 -1128.7288 0.0000 0.0000 2754.4914 6221.3496 304.2412 3466.8581 6255.2584 303.2037 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: 6571.02, 0.00391568/step Wall: 6571.02, 0.00391568/step, 0.943461 hours remaining, 114.218750 MB of memory in use. ENERGY: 1632600 669.9366 1825.3942 1951.6349 104.8566 2.9105 -1107.1106 0.0000 0.0000 2724.1241 6171.7462 300.8871 3447.6222 6207.5477 300.1160 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: 6571.8, 0.00391559/step Wall: 6571.8, 0.00391559/step, 0.943222 hours remaining, 114.218750 MB of memory in use. ENERGY: 1632800 664.0784 1853.2279 1980.6944 100.3301 1.7227 -1136.3136 0.0000 0.0000 2735.5689 6199.3087 302.1512 3463.7398 6231.8438 299.2402 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: 6572.58, 0.00391623/step Wall: 6572.58, 0.00391623/step, 0.94316 hours remaining, 114.218750 MB of memory in use. ENERGY: 1633000 605.6693 1870.8320 1972.6203 104.8237 2.6220 -1104.6850 0.0000 0.0000 2717.3188 6169.2010 300.1354 3451.8823 6202.6295 297.9460 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: 6573.37, 0.00390863/step Wall: 6573.37, 0.00390863/step, 0.94111 hours remaining, 114.218750 MB of memory in use. ENERGY: 1633200 658.8319 1889.3669 1976.0819 110.4098 1.1171 -1112.4154 0.0000 0.0000 2694.4340 6217.8260 297.6077 3523.3921 6251.5514 300.0352 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: 6574.15, 0.00391471/step Wall: 6574.15, 0.00391471/step, 0.942358 hours remaining, 114.218750 MB of memory in use. ENERGY: 1633400 632.6554 1851.7429 1966.6489 115.3801 1.5313 -1113.5822 0.0000 0.0000 2653.3331 6107.7096 293.0680 3454.3765 6140.1611 298.3272 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: 6574.93, 0.00391697/step Wall: 6574.93, 0.00391697/step, 0.942684 hours remaining, 114.218750 MB of memory in use. ENERGY: 1633600 649.9983 1843.5294 1965.1408 103.0689 2.9246 -1120.4178 0.0000 0.0000 2679.8322 6124.0765 295.9949 3444.2443 6155.5975 295.7499 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: 6575.71, 0.00391579/step Wall: 6575.71, 0.00391579/step, 0.942183 hours remaining, 114.218750 MB of memory in use. ENERGY: 1633800 629.5288 1778.7192 1929.0551 109.6341 3.0385 -1095.4710 0.0000 0.0000 2715.6678 6070.1725 299.9531 3354.5047 6103.1216 296.5426 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: 6576.5, 0.00391727/step Wall: 6576.5, 0.00391726/step, 0.94232 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1634000 626.1927 1870.5531 1982.0241 102.8622 1.3805 -1135.2019 0.0000 0.0000 2660.3976 6108.2082 293.8483 3447.8106 6140.6332 296.3128 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: 6577.28, 0.00390852/step Wall: 6577.28, 0.00390853/step, 0.940001 hours remaining, 114.218750 MB of memory in use. ENERGY: 1634200 646.2485 1819.5238 1927.9697 102.5147 3.2164 -1079.4600 0.0000 0.0000 2662.3920 6082.4052 294.0686 3420.0132 6114.5580 295.8319 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: 6578.06, 0.00391566/step Wall: 6578.06, 0.00391566/step, 0.941499 hours remaining, 114.218750 MB of memory in use. ENERGY: 1634400 600.4233 1857.6030 1964.2896 118.6379 2.6830 -1101.0710 0.0000 0.0000 2620.1550 6062.7208 289.4034 3442.5658 6094.4579 294.5397 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: 6578.85, 0.00391842/step Wall: 6578.85, 0.00391842/step, 0.941946 hours remaining, 114.218750 MB of memory in use. ENERGY: 1634600 636.7090 1819.1104 1942.9440 110.9159 2.3849 -1094.8250 0.0000 0.0000 2732.9719 6150.2112 301.8644 3417.2393 6185.9236 297.3171 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: 6579.63, 0.00391563/step Wall: 6579.63, 0.00391563/step, 0.941055 hours remaining, 114.218750 MB of memory in use. ENERGY: 1634800 611.7270 1827.8638 1964.3616 99.1626 1.1745 -1127.0249 0.0000 0.0000 2752.6886 6129.9533 304.0421 3377.2646 6162.8498 296.9616 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: 6580.41, 0.00391077/step Wall: 6580.41, 0.00391077/step, 0.939671 hours remaining, 114.218750 MB of memory in use. ENERGY: 1635000 656.2061 1813.1650 1924.4045 108.0816 3.4812 -1075.4945 0.0000 0.0000 2710.1771 6140.0210 299.3466 3429.8439 6175.5282 297.3572 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: 6581.19, 0.00391327/step Wall: 6581.19, 0.00391327/step, 0.940054 hours remaining, 114.218750 MB of memory in use. ENERGY: 1635200 675.4509 1814.8475 1963.2955 112.1670 1.5586 -1093.6124 0.0000 0.0000 2678.1345 6151.8416 295.8074 3473.7071 6183.1938 297.6107 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: 6581.98, 0.00391608/step Wall: 6581.98, 0.00391608/step, 0.940512 hours remaining, 114.218750 MB of memory in use. ENERGY: 1635400 666.8056 1846.2736 1987.5492 112.5410 1.2878 -1134.8685 0.0000 0.0000 2685.8970 6165.4858 296.6648 3479.5888 6201.0495 299.3672 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: 6582.76, 0.00391677/step Wall: 6582.76, 0.00391677/step, 0.94046 hours remaining, 114.218750 MB of memory in use. ENERGY: 1635600 664.7823 1877.5119 1933.6807 108.3526 1.1738 -1094.2211 0.0000 0.0000 2681.9443 6173.2243 296.2282 3491.2800 6204.1370 299.7367 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: 6583.54, 0.0039154/step Wall: 6583.54, 0.0039154/step, 0.939913 hours remaining, 114.218750 MB of memory in use. ENERGY: 1635800 652.4457 1815.8149 1953.9926 111.1219 2.6217 -1070.0881 0.0000 0.0000 2756.8423 6222.7510 304.5009 3465.9087 6257.3837 299.9644 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: 6584.33, 0.00390865/step Wall: 6584.33, 0.00390865/step, 0.938075 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1636000 659.2466 1829.3468 1958.0513 107.2213 1.2771 -1081.7765 0.0000 0.0000 2740.2594 6213.6259 302.6693 3473.3665 6246.8781 301.2902 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: 6585.11, 0.00391427/step Wall: 6585.11, 0.00391427/step, 0.939207 hours remaining, 114.218750 MB of memory in use. ENERGY: 1636200 695.9428 1880.2396 1943.0461 103.9075 2.0593 -1108.8532 0.0000 0.0000 2710.5294 6226.8716 299.3855 3516.3422 6257.9986 301.2527 LDB: ============= START OF LOAD BALANCING ============== 6587.81 LDB: ============== END OF LOAD BALANCING =============== 6587.81 LDB: =============== DONE WITH MIGRATION ================ 6587.81 LDB: ============= START OF LOAD BALANCING ============== 6588.2 LDB: ============== END OF LOAD BALANCING =============== 6588.2 LDB: =============== DONE WITH MIGRATION ================ 6588.2 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: 6585.89, 0.00392094/step Wall: 6585.89, 0.00392094/step, 0.940589 hours remaining, 114.218750 MB of memory in use. ENERGY: 1636400 677.8101 1856.3574 1917.1943 120.7179 2.8350 -1041.1793 0.0000 0.0000 2785.5335 6319.2688 307.6699 3533.7354 6351.2727 302.4299 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: 6586.68, 0.00391713/step Wall: 6586.68, 0.00391713/step, 0.939458 hours remaining, 114.218750 MB of memory in use. ENERGY: 1636600 679.4563 1838.5533 1963.3446 112.0178 3.5448 -1072.1584 0.0000 0.0000 2783.3140 6308.0723 307.4248 3524.7583 6343.4548 306.8813 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: 6587.46, 0.00391048/step Wall: 6587.46, 0.00391048/step, 0.937647 hours remaining, 114.218750 MB of memory in use. ENERGY: 1636800 646.5553 1842.0006 1950.1086 111.8859 2.3436 -1068.0771 0.0000 0.0000 2821.4583 6306.2751 311.6379 3484.8169 6338.2822 307.6396 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: 6588.24, 0.00391543/step Wall: 6588.24, 0.00391543/step, 0.938615 hours remaining, 114.218750 MB of memory in use. ENERGY: 1637000 671.1107 1853.6984 1976.7963 115.3711 2.0250 -1107.8019 0.0000 0.0000 2794.3786 6305.5782 308.6469 3511.1996 6340.3640 307.7612 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: 6589.02, 0.00391563/step Wall: 6589.02, 0.00391563/step, 0.938446 hours remaining, 114.218750 MB of memory in use. ENERGY: 1637200 691.0597 1802.4264 1966.4953 101.8175 2.9294 -1084.9469 0.0000 0.0000 2778.2802 6258.0616 306.8688 3479.7814 6291.7928 304.7656 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: 6589.81, 0.00391487/step Wall: 6589.81, 0.00391487/step, 0.938047 hours remaining, 114.218750 MB of memory in use. ENERGY: 1637400 645.3508 1865.6371 1950.4318 103.8514 2.5683 -1092.8460 0.0000 0.0000 2780.5863 6255.5798 307.1235 3474.9934 6286.9627 302.8423 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: 6590.59, 0.00391515/step Wall: 6590.59, 0.00391515/step, 0.937896 hours remaining, 114.218750 MB of memory in use. ENERGY: 1637600 662.3681 1838.0458 1956.4895 108.1707 3.4245 -1066.3412 0.0000 0.0000 2694.9218 6197.0793 297.6616 3502.1575 6230.7330 300.3168 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: 6591.37, 0.00390856/step Wall: 6591.37, 0.00390856/step, 0.9361 hours remaining, 114.218750 MB of memory in use. ENERGY: 1637800 666.6368 1817.9759 1950.8580 102.4995 1.9158 -1058.3431 0.0000 0.0000 2703.1306 6184.6733 298.5683 3481.5428 6218.0033 298.5923 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: 6592.16, 0.00391273/step Wall: 6592.16, 0.00391273/step, 0.936882 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1638000 656.2350 1844.6280 1917.6466 105.6011 1.7058 -1101.6000 0.0000 0.0000 2701.3788 6125.5952 298.3748 3424.2164 6158.1070 298.0324 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: 6592.94, 0.00391423/step Wall: 6592.94, 0.00391423/step, 0.937023 hours remaining, 114.218750 MB of memory in use. ENERGY: 1638200 659.7327 1807.9338 1975.8168 118.4070 0.8455 -1105.6697 0.0000 0.0000 2668.4033 6125.4695 294.7326 3457.0663 6158.8167 297.3593 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: 6593.72, 0.0039154/step Wall: 6593.72, 0.0039154/step, 0.937086 hours remaining, 114.218750 MB of memory in use. ENERGY: 1638400 644.5548 1834.9280 1981.8424 105.5567 2.6379 -1105.5951 0.0000 0.0000 2704.7435 6168.6683 298.7465 3463.9247 6200.2070 298.0287 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: 6594.5, 0.00391618/step Wall: 6594.5, 0.00391618/step, 0.937056 hours remaining, 114.218750 MB of memory in use. ENERGY: 1638600 663.4462 1801.7644 1995.1333 107.0742 2.0528 -1076.3172 0.0000 0.0000 2730.8027 6223.9562 301.6248 3493.1535 6254.1701 298.6125 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: 6595.29, 0.00390922/step Wall: 6595.29, 0.00390922/step, 0.935173 hours remaining, 114.218750 MB of memory in use. ENERGY: 1638800 673.0768 1858.4012 1970.4486 104.5414 2.2634 -1079.8172 0.0000 0.0000 2725.4194 6254.3337 301.0302 3528.9142 6286.5158 301.0540 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: 6596.07, 0.00391452/step Wall: 6596.07, 0.00391452/step, 0.936222 hours remaining, 114.218750 MB of memory in use. ENERGY: 1639000 686.5939 1819.9443 1965.9503 110.5693 2.5059 -1115.9078 0.0000 0.0000 2756.9519 6226.6078 304.5130 3469.6559 6259.6799 302.1867 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: 6596.85, 0.00391715/step Wall: 6596.85, 0.00391715/step, 0.936634 hours remaining, 114.218750 MB of memory in use. ENERGY: 1639200 658.6957 1854.4243 1980.2081 114.2772 1.7378 -1115.0470 0.0000 0.0000 2703.5940 6197.8901 298.6195 3494.2962 6231.3133 302.3585 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: 6597.64, 0.00392069/step Wall: 6597.64, 0.00392069/step, 0.937264 hours remaining, 114.218750 MB of memory in use. ENERGY: 1639400 643.5460 1811.4169 1972.6223 107.7515 1.5390 -1082.1326 0.0000 0.0000 2734.3668 6189.1098 302.0184 3454.7430 6223.3072 299.8515 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: 6598.42, 0.00391175/step Wall: 6598.42, 0.00391175/step, 0.934907 hours remaining, 114.218750 MB of memory in use. ENERGY: 1639600 670.0463 1833.3805 1961.0960 101.3140 1.9973 -1096.3623 0.0000 0.0000 2746.1019 6217.5737 303.3146 3471.4718 6248.9566 300.6591 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: 6599.2, 0.00391608/step Wall: 6599.2, 0.00391608/step, 0.935727 hours remaining, 114.218750 MB of memory in use. ENERGY: 1639800 638.2567 1860.1297 1966.3935 99.7204 1.7217 -1088.3428 0.0000 0.0000 2749.8865 6227.7657 303.7326 3477.8792 6260.3518 303.0712 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: 6599.99, 0.00391677/step Wall: 6599.99, 0.00391677/step, 0.935672 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1640000 643.1975 1861.9647 1965.9975 117.6815 2.0441 -1068.8883 0.0000 0.0000 2656.7421 6178.7390 293.4446 3521.9969 6211.3721 299.9976 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1640000 WRITING COORDINATES TO DCD FILE MD.1.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: 6600.8, 0.0040776/step Wall: 6600.8, 0.0040776/step, 0.973867 hours remaining, 114.218750 MB of memory in use. ENERGY: 1640200 670.7106 1823.5115 1946.3237 103.2501 2.0587 -1067.1186 0.0000 0.0000 2717.3854 6196.1216 300.1428 3478.7361 6228.0791 297.5705 LDB: ============= START OF LOAD BALANCING ============== 6603.53 LDB: ============== END OF LOAD BALANCING =============== 6603.53 LDB: =============== DONE WITH MIGRATION ================ 6603.53 LDB: ============= START OF LOAD BALANCING ============== 6603.92 LDB: ============== END OF LOAD BALANCING =============== 6603.92 LDB: =============== DONE WITH MIGRATION ================ 6603.92 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: 6601.61, 0.0040573/step Wall: 6601.61, 0.0040573/step, 0.968793 hours remaining, 114.218750 MB of memory in use. ENERGY: 1640400 670.5794 1861.7504 1973.2844 113.0439 1.8978 -1110.5877 0.0000 0.0000 2651.8868 6161.8550 292.9083 3509.9682 6193.1390 298.7476 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: 6602.39, 0.00391203/step Wall: 6602.39, 0.00391203/step, 0.933889 hours remaining, 114.218750 MB of memory in use. ENERGY: 1640600 655.5563 1851.6709 1943.2825 102.0177 1.9946 -1130.1697 0.0000 0.0000 2714.2301 6138.5824 299.7943 3424.3523 6171.2758 298.2084 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: 6603.18, 0.00391044/step Wall: 6603.18, 0.00391044/step, 0.933293 hours remaining, 114.218750 MB of memory in use. ENERGY: 1640800 684.2767 1820.7962 1957.4537 118.5366 2.2886 -1134.6570 0.0000 0.0000 2656.5433 6105.2381 293.4226 3448.6948 6132.4503 297.6622 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: 6603.96, 0.00391109/step Wall: 6603.96, 0.00391109/step, 0.93323 hours remaining, 114.218750 MB of memory in use. ENERGY: 1641000 656.8638 1810.3993 1971.0498 107.2239 1.6036 -1084.0192 0.0000 0.0000 2641.4903 6104.6114 291.7600 3463.1212 6135.8177 294.1931 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: 6604.74, 0.00391108/step Wall: 6604.74, 0.00391108/step, 0.93301 hours remaining, 114.218750 MB of memory in use. ENERGY: 1641200 653.5762 1785.3115 1936.4701 103.7339 1.8869 -1084.5849 0.0000 0.0000 2674.8609 6071.2546 295.4458 3396.3937 6103.6477 293.9521 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: 6605.52, 0.00390867/step Wall: 6605.52, 0.00390867/step, 0.932217 hours remaining, 114.218750 MB of memory in use. ENERGY: 1641400 628.5987 1849.0572 1950.0013 106.5822 2.0018 -1078.1215 0.0000 0.0000 2632.7522 6090.8719 290.7948 3458.1197 6123.7232 292.8131 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: 6606.31, 0.00391024/step Wall: 6606.31, 0.00391024/step, 0.932376 hours remaining, 114.218750 MB of memory in use. ENERGY: 1641600 638.8243 1805.6234 1960.5898 100.6699 1.5497 -1082.3211 0.0000 0.0000 2676.4710 6101.4069 295.6237 3424.9359 6133.4892 293.7057 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: 6607.09, 0.0039102/step Wall: 6607.09, 0.0039102/step, 0.932148 hours remaining, 114.218750 MB of memory in use. ENERGY: 1641800 675.9186 1895.8657 1935.7805 111.1700 2.3385 -1077.4741 0.0000 0.0000 2640.1059 6183.7050 291.6070 3543.5991 6213.2004 296.2284 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: 6607.87, 0.00391383/step Wall: 6607.87, 0.00391383/step, 0.932796 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1642000 631.4932 1850.7044 1909.3490 117.4286 3.3603 -1035.6307 0.0000 0.0000 2693.3509 6170.0557 297.4881 3476.7048 6202.7978 300.1217 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: 6608.65, 0.00391793/step Wall: 6608.65, 0.00391793/step, 0.933557 hours remaining, 114.218750 MB of memory in use. ENERGY: 1642200 663.8893 1787.1661 1958.5454 104.3946 1.8716 -1082.0489 0.0000 0.0000 2664.5672 6098.3854 294.3089 3433.8181 6130.0601 294.6441 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: 6609.44, 0.00390777/step Wall: 6609.44, 0.00390777/step, 0.930916 hours remaining, 114.218750 MB of memory in use. ENERGY: 1642400 620.9456 1850.0811 1913.2274 117.1478 1.1428 -1104.9709 0.0000 0.0000 2711.7856 6109.3593 299.5243 3397.5737 6140.0527 295.9846 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: 6610.22, 0.00391025/step Wall: 6610.22, 0.00391025/step, 0.931291 hours remaining, 114.218750 MB of memory in use. ENERGY: 1642600 640.3097 1836.3096 1945.4121 104.5091 2.0647 -1090.4480 0.0000 0.0000 2683.0269 6121.1841 296.3478 3438.1572 6157.4681 297.7682 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: 6611, 0.00390723/step Wall: 6611, 0.00390723/step, 0.930356 hours remaining, 114.218750 MB of memory in use. ENERGY: 1642800 620.4386 1813.4143 1972.6147 116.0849 3.4290 -1090.4887 0.0000 0.0000 2653.2252 6088.7181 293.0561 3435.4928 6123.1225 296.0027 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: 6611.78, 0.00390729/step Wall: 6611.78, 0.00390729/step, 0.930152 hours remaining, 114.218750 MB of memory in use. ENERGY: 1643000 642.6041 1808.2566 1959.3019 104.1417 3.2987 -1067.7016 0.0000 0.0000 2680.4236 6130.3251 296.0603 3449.9015 6164.4546 295.7961 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: 6612.56, 0.00390685/step Wall: 6612.56, 0.00390685/step, 0.92983 hours remaining, 114.218750 MB of memory in use. ENERGY: 1643200 672.5550 1835.9209 1959.6064 101.8787 3.4543 -1102.1641 0.0000 0.0000 2657.7236 6128.9750 293.5530 3471.2514 6158.9540 294.7048 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: 6613.34, 0.00390669/step Wall: 6613.34, 0.00390669/step, 0.929574 hours remaining, 114.218750 MB of memory in use. ENERGY: 1643400 634.6302 1827.0659 1948.9482 97.8518 2.1834 -1050.4109 0.0000 0.0000 2683.7866 6144.0552 296.4317 3460.2686 6178.5132 296.9328 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: 6614.12, 0.00390914/step Wall: 6614.12, 0.00390914/step, 0.929942 hours remaining, 114.218750 MB of memory in use. ENERGY: 1643600 652.1200 1814.5529 1965.8080 110.8491 2.9367 -1090.4483 0.0000 0.0000 2700.5394 6156.3579 298.2821 3455.8184 6190.0146 297.4694 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: 6614.91, 0.00390756/step Wall: 6614.91, 0.00390756/step, 0.929348 hours remaining, 114.218750 MB of memory in use. ENERGY: 1643800 656.9948 1809.7170 1935.6512 99.7810 4.0980 -1093.4594 0.0000 0.0000 2731.5584 6144.3410 301.7082 3412.7827 6178.6726 296.6015 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: 6615.69, 0.00390871/step Wall: 6615.69, 0.00390871/step, 0.929404 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1644000 673.3528 1858.2678 1963.3961 97.2075 3.3289 -1106.3005 0.0000 0.0000 2691.3597 6180.6122 297.2682 3489.2525 6211.7968 298.0553 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: 6616.47, 0.00390778/step Wall: 6616.47, 0.00390778/step, 0.928967 hours remaining, 114.218750 MB of memory in use. ENERGY: 1644200 629.5128 1803.2900 1950.1042 111.3333 3.7077 -1055.8252 0.0000 0.0000 2768.7762 6210.8989 305.8190 3442.1228 6247.0755 299.9931 LDB: ============= START OF LOAD BALANCING ============== 6619.17 LDB: ============== END OF LOAD BALANCING =============== 6619.17 LDB: =============== DONE WITH MIGRATION ================ 6619.17 LDB: ============= START OF LOAD BALANCING ============== 6619.56 LDB: ============== END OF LOAD BALANCING =============== 6619.56 LDB: =============== DONE WITH MIGRATION ================ 6619.56 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: 6617.25, 0.00391079/step Wall: 6617.25, 0.00391079/step, 0.929465 hours remaining, 114.218750 MB of memory in use. ENERGY: 1644400 678.8532 1830.9581 2000.7940 122.8515 1.9897 -1099.0683 0.0000 0.0000 2709.6815 6246.0597 299.2919 3536.3781 6277.5339 300.2927 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: 6618.03, 0.0039086/step Wall: 6618.03, 0.0039086/step, 0.928727 hours remaining, 114.218750 MB of memory in use. ENERGY: 1644600 676.6706 1821.7164 1964.3779 119.4764 2.7188 -1086.8072 0.0000 0.0000 2710.8715 6209.0244 299.4233 3498.1528 6242.4217 302.9192 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: 6618.82, 0.00390859/step Wall: 6618.82, 0.00390859/step, 0.928506 hours remaining, 114.218750 MB of memory in use. ENERGY: 1644800 650.7074 1831.8456 1955.8397 108.9648 2.9344 -1121.0995 0.0000 0.0000 2742.4033 6171.5957 302.9061 3429.1924 6205.2464 299.4638 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: 6619.6, 0.00390833/step Wall: 6619.6, 0.00390833/step, 0.928228 hours remaining, 114.218750 MB of memory in use. ENERGY: 1645000 679.9970 1839.9790 1984.7596 109.7647 2.7867 -1118.9343 0.0000 0.0000 2693.4034 6191.7562 297.4939 3498.3528 6223.9132 299.5082 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: 6620.38, 0.00390986/step Wall: 6620.38, 0.00390986/step, 0.928374 hours remaining, 114.218750 MB of memory in use. ENERGY: 1645200 658.8852 1828.7990 1963.7002 98.1009 3.7254 -1084.1544 0.0000 0.0000 2689.4023 6158.4587 297.0520 3469.0564 6190.8518 298.8729 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: 6621.16, 0.00390705/step Wall: 6621.16, 0.00390705/step, 0.92749 hours remaining, 114.218750 MB of memory in use. ENERGY: 1645400 677.4168 1825.1433 1956.7509 101.0779 2.7571 -1088.7703 0.0000 0.0000 2664.5921 6138.9678 294.3116 3474.3757 6172.6185 296.4655 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: 6621.94, 0.00390913/step Wall: 6621.94, 0.00390913/step, 0.927766 hours remaining, 114.218750 MB of memory in use. ENERGY: 1645600 664.5270 1823.2254 1968.2028 101.8283 2.2427 -1105.6123 0.0000 0.0000 2732.3599 6186.7739 301.7968 3454.4140 6221.2810 299.5612 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: 6622.72, 0.00390671/step Wall: 6622.72, 0.0039067/step, 0.926974 hours remaining, 114.218750 MB of memory in use. ENERGY: 1645800 669.4064 1905.9418 1959.5902 106.4954 1.3950 -1079.2489 0.0000 0.0000 2643.9173 6207.4972 292.0280 3563.5799 6237.6935 300.7974 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: 6623.5, 0.00390556/step Wall: 6623.5, 0.00390556/step, 0.926484 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1646000 678.4105 1841.1376 1945.2121 105.8219 2.5222 -1063.4093 0.0000 0.0000 2690.5247 6200.2198 297.1759 3509.6951 6233.0583 300.8708 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: 6624.29, 0.00390866/step Wall: 6624.29, 0.00390867/step, 0.927006 hours remaining, 114.218750 MB of memory in use. ENERGY: 1646200 685.6831 1841.2183 1961.2556 114.1533 1.5379 -1060.9712 0.0000 0.0000 2711.9303 6254.8074 299.5403 3542.8771 6286.8870 303.0949 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: 6625.07, 0.00390695/step Wall: 6625.07, 0.00390695/step, 0.926381 hours remaining, 114.218750 MB of memory in use. ENERGY: 1646400 664.0380 1852.7178 1929.3935 111.7191 1.6033 -1053.1938 0.0000 0.0000 2740.1481 6246.4260 302.6570 3506.2779 6281.4657 303.7832 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: 6625.85, 0.00390758/step Wall: 6625.85, 0.00390758/step, 0.926313 hours remaining, 114.218750 MB of memory in use. ENERGY: 1646600 661.6130 1884.4037 1948.4367 106.4548 2.0651 -1100.4093 0.0000 0.0000 2744.0773 6246.6413 303.0910 3502.5640 6280.0042 303.8901 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: 6626.63, 0.00390728/step Wall: 6626.63, 0.00390728/step, 0.926025 hours remaining, 114.218750 MB of memory in use. ENERGY: 1646800 651.0012 1857.9963 1959.5250 97.8229 2.5132 -1080.0465 0.0000 0.0000 2793.7005 6282.5126 308.5720 3488.8122 6317.2509 302.1760 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: 6627.41, 0.00390612/step Wall: 6627.41, 0.00390612/step, 0.925532 hours remaining, 114.218750 MB of memory in use. ENERGY: 1647000 664.2985 1882.7172 1943.9008 102.8144 1.4695 -1089.2844 0.0000 0.0000 2717.6700 6223.5860 300.1742 3505.9160 6255.8675 302.7525 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: 6628.19, 0.00390831/step Wall: 6628.19, 0.00390831/step, 0.925836 hours remaining, 114.218750 MB of memory in use. ENERGY: 1647200 652.4188 1884.2105 1954.7092 112.0536 1.9666 -1098.0473 0.0000 0.0000 2727.4290 6234.7405 301.2521 3507.3115 6264.6092 300.4062 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: 6628.97, 0.00390675/step Wall: 6628.97, 0.00390675/step, 0.925248 hours remaining, 114.218750 MB of memory in use. ENERGY: 1647400 631.4126 1869.3711 1958.2698 102.1528 1.9013 -1080.4584 0.0000 0.0000 2778.2525 6260.9016 306.8657 3482.6491 6297.2168 302.2315 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: 6629.76, 0.00390886/step Wall: 6629.76, 0.00390886/step, 0.925532 hours remaining, 114.218750 MB of memory in use. ENERGY: 1647600 653.4798 1897.0510 1930.8927 96.4504 2.7208 -1086.2279 0.0000 0.0000 2767.1828 6261.5496 305.6431 3494.3667 6293.5870 303.6349 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: 6630.54, 0.00390692/step Wall: 6630.54, 0.00390692/step, 0.924855 hours remaining, 114.218750 MB of memory in use. ENERGY: 1647800 650.5665 1854.0592 1928.7297 107.2801 2.7948 -1053.6203 0.0000 0.0000 2773.9654 6263.7753 306.3922 3489.8099 6303.9697 305.2814 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: 6631.32, 0.00390671/step Wall: 6631.32, 0.00390671/step, 0.924588 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1648000 649.4710 1799.2141 1948.6492 128.1755 2.9578 -1054.5606 0.0000 0.0000 2754.9342 6228.8411 304.2902 3473.9068 6262.8827 302.0374 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: 6632.1, 0.00390916/step Wall: 6632.1, 0.00390916/step, 0.924951 hours remaining, 114.218750 MB of memory in use. ENERGY: 1648200 667.0889 1846.1682 1956.2147 103.9284 2.5837 -1077.1019 0.0000 0.0000 2676.8204 6175.7023 295.6623 3498.8819 6208.5321 299.6386 LDB: ============= START OF LOAD BALANCING ============== 6634.8 LDB: ============== END OF LOAD BALANCING =============== 6634.8 LDB: =============== DONE WITH MIGRATION ================ 6634.8 LDB: ============= START OF LOAD BALANCING ============== 6635.19 LDB: ============== END OF LOAD BALANCING =============== 6635.19 LDB: =============== DONE WITH MIGRATION ================ 6635.19 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: 6632.88, 0.00391318/step Wall: 6632.88, 0.00391318/step, 0.925684 hours remaining, 114.218750 MB of memory in use. ENERGY: 1648400 693.6073 1813.4847 1948.6262 111.4409 3.2003 -1129.9339 0.0000 0.0000 2676.0943 6116.5198 295.5821 3440.4255 6148.5955 297.4310 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: 6633.67, 0.00390908/step Wall: 6633.67, 0.00390908/step, 0.924497 hours remaining, 114.218750 MB of memory in use. ENERGY: 1648600 611.5230 1880.2953 1933.8098 104.8810 2.1858 -1062.9122 0.0000 0.0000 2658.1350 6127.9177 293.5984 3469.7827 6160.6154 297.0489 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: 6634.45, 0.00390835/step Wall: 6634.45, 0.00390835/step, 0.924108 hours remaining, 114.218750 MB of memory in use. ENERGY: 1648800 650.3019 1850.8804 1961.5870 112.5709 2.7912 -1120.5654 0.0000 0.0000 2682.2815 6139.8475 296.2655 3457.5660 6173.5890 295.6812 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: 6635.23, 0.00390892/step Wall: 6635.23, 0.00390892/step, 0.924025 hours remaining, 114.218750 MB of memory in use. ENERGY: 1649000 654.2596 1822.7812 1931.0278 111.5331 2.4128 -1101.7051 0.0000 0.0000 2717.0273 6137.3366 300.1032 3420.3093 6171.5771 296.7698 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: 6636.01, 0.00391056/step Wall: 6636.01, 0.00391056/step, 0.924196 hours remaining, 114.218750 MB of memory in use. ENERGY: 1649200 637.3634 1848.4551 1948.2127 116.4506 3.6888 -1086.6181 0.0000 0.0000 2706.8160 6174.3685 298.9754 3467.5525 6206.1332 299.1027 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: 6636.79, 0.00390792/step Wall: 6636.79, 0.00390791/step, 0.923352 hours remaining, 114.218750 MB of memory in use. ENERGY: 1649400 672.7855 1842.0710 1945.5249 100.8824 2.9626 -1122.6828 0.0000 0.0000 2680.3633 6121.9068 296.0536 3441.5435 6153.4533 297.2684 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: 6637.58, 0.00391169/step Wall: 6637.58, 0.00391169/step, 0.924029 hours remaining, 114.218750 MB of memory in use. ENERGY: 1649600 654.3657 1785.9333 1952.8220 116.3572 2.3247 -1098.9895 0.0000 0.0000 2682.8115 6095.6249 296.3240 3412.8134 6127.7996 296.7535 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: 6638.36, 0.00391004/step Wall: 6638.36, 0.00391004/step, 0.923421 hours remaining, 114.218750 MB of memory in use. ENERGY: 1649800 637.9336 1857.8473 1949.0696 93.0652 3.4781 -1123.8730 0.0000 0.0000 2728.1075 6145.6284 301.3271 3417.5209 6178.5298 297.4535 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: 6639.14, 0.0039091/step Wall: 6639.14, 0.0039091/step, 0.922982 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1650000 649.2184 1870.7877 1938.4073 95.7281 2.5629 -1086.2152 0.0000 0.0000 2676.3137 6146.8029 295.6063 3470.4892 6179.6380 297.5528 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1650000 WRITING COORDINATES TO DCD FILE MD.1.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: 6640, 0.00429415/step Wall: 6640, 0.00429415/step, 1.01366 hours remaining, 114.218750 MB of memory in use. ENERGY: 1650200 666.9353 1867.5591 1927.5924 105.0090 2.9036 -1099.1653 0.0000 0.0000 2727.0872 6197.9213 301.2144 3470.8342 6231.5284 297.3049 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: 6640.78, 0.00392381/step Wall: 6640.78, 0.00392381/step, 0.926018 hours remaining, 114.218750 MB of memory in use. ENERGY: 1650400 653.4627 1885.2236 1971.8776 107.2660 2.5288 -1073.0386 0.0000 0.0000 2623.3473 6170.6673 289.7560 3547.3200 6201.6687 299.1170 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: 6641.56, 0.00390788/step Wall: 6641.56, 0.00390788/step, 0.922044 hours remaining, 114.218750 MB of memory in use. ENERGY: 1650600 641.8902 1836.8681 1959.7078 95.7278 3.1349 -1111.9904 0.0000 0.0000 2707.4851 6132.8236 299.0493 3425.3385 6166.1419 299.3323 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: 6642.35, 0.00391392/step Wall: 6642.35, 0.00391392/step, 0.923251 hours remaining, 114.218750 MB of memory in use. ENERGY: 1650800 639.1369 1806.0613 1967.3832 104.3620 2.8953 -1115.0529 0.0000 0.0000 2695.6074 6100.3932 297.7374 3404.7858 6132.6458 296.0644 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: 6643.13, 0.00391266/step Wall: 6643.13, 0.00391266/step, 0.922736 hours remaining, 114.218750 MB of memory in use. ENERGY: 1651000 672.9792 1825.8758 1964.7491 99.1261 1.4929 -1098.4187 0.0000 0.0000 2688.3668 6154.1713 296.9376 3465.8045 6189.8584 296.6138 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: 6643.91, 0.0039109/step Wall: 6643.91, 0.0039109/step, 0.922102 hours remaining, 114.218750 MB of memory in use. ENERGY: 1651200 666.7399 1798.4894 1931.8344 113.3913 3.7479 -1128.7365 0.0000 0.0000 2762.1447 6147.6111 305.0866 3385.4664 6183.4734 298.2384 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: 6644.69, 0.00391356/step Wall: 6644.69, 0.00391356/step, 0.922514 hours remaining, 114.218750 MB of memory in use. ENERGY: 1651400 654.1738 1872.9733 1933.9329 103.4693 2.7361 -1091.4951 0.0000 0.0000 2666.2350 6142.0254 294.4931 3475.7904 6172.6044 299.1014 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: 6645.48, 0.00390611/step Wall: 6645.48, 0.00390611/step, 0.92054 hours remaining, 114.218750 MB of memory in use. ENERGY: 1651600 659.3042 1876.4795 1948.9606 116.0201 2.0184 -1117.9260 0.0000 0.0000 2736.6846 6221.5415 302.2744 3484.8569 6255.4216 299.5990 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: 6646.26, 0.00391231/step Wall: 6646.26, 0.00391231/step, 0.921785 hours remaining, 114.218750 MB of memory in use. ENERGY: 1651800 627.0292 1847.8970 1931.5203 105.2721 2.8859 -1071.1705 0.0000 0.0000 2757.4756 6200.9096 304.5709 3443.4341 6232.1151 300.3286 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: 6647.04, 0.00391321/step Wall: 6647.04, 0.00391321/step, 0.921779 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1652000 642.2741 1844.8682 1961.1533 107.1732 0.2554 -1128.0003 0.0000 0.0000 2760.2355 6187.9596 304.8757 3427.7241 6224.1374 301.1874 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: 6647.82, 0.00391142/step Wall: 6647.82, 0.00391142/step, 0.921138 hours remaining, 114.218750 MB of memory in use. ENERGY: 1652200 647.8950 1831.7603 1973.8820 104.9692 1.3918 -1054.8061 0.0000 0.0000 2708.4620 6213.5543 299.1572 3505.0923 6246.1577 302.1500 LDB: ============= START OF LOAD BALANCING ============== 6650.52 LDB: ============== END OF LOAD BALANCING =============== 6650.52 LDB: =============== DONE WITH MIGRATION ================ 6650.52 LDB: ============= START OF LOAD BALANCING ============== 6650.92 LDB: ============== END OF LOAD BALANCING =============== 6650.92 LDB: =============== DONE WITH MIGRATION ================ 6650.92 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: 6648.61, 0.00391921/step Wall: 6648.61, 0.00391921/step, 0.922756 hours remaining, 114.218750 MB of memory in use. ENERGY: 1652400 644.0851 1832.8677 1947.2918 124.3797 2.6197 -1087.8102 0.0000 0.0000 2766.8840 6230.3177 305.6100 3463.4337 6266.4560 302.6227 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: 6649.39, 0.00390675/step Wall: 6649.39, 0.00390675/step, 0.919605 hours remaining, 114.218750 MB of memory in use. ENERGY: 1652600 701.4937 1871.8526 1951.1909 110.1209 2.1683 -1124.4204 0.0000 0.0000 2729.9533 6242.3594 301.5310 3512.4060 6277.2837 303.5280 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: 6650.17, 0.00391101/step Wall: 6650.17, 0.00391101/step, 0.920391 hours remaining, 114.218750 MB of memory in use. ENERGY: 1652800 672.3462 1870.5951 1960.8911 118.8950 1.7509 -1107.6601 0.0000 0.0000 2771.3398 6288.1580 306.1022 3516.8182 6319.8005 305.3721 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: 6650.95, 0.00391248/step Wall: 6650.95, 0.00391248/step, 0.92052 hours remaining, 114.218750 MB of memory in use. ENERGY: 1653000 690.7219 1888.8204 1948.3181 124.6292 2.5309 -1081.8321 0.0000 0.0000 2721.1788 6294.3673 300.5618 3573.1884 6328.2432 304.6360 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: 6651.74, 0.00391248/step Wall: 6651.74, 0.00391248/step, 0.920302 hours remaining, 114.218750 MB of memory in use. ENERGY: 1653200 681.1224 1875.6183 1943.3744 106.7123 2.4783 -1091.6477 0.0000 0.0000 2710.0488 6227.7070 299.3324 3517.6581 6259.5769 302.9032 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: 6652.52, 0.003908/step Wall: 6652.52, 0.003908/step, 0.91903 hours remaining, 114.218750 MB of memory in use. ENERGY: 1653400 669.5673 1850.7245 1943.4633 114.8061 0.4496 -1089.3340 0.0000 0.0000 2774.9886 6264.6655 306.5052 3489.6769 6297.1949 302.9908 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: 6653.3, 0.00391202/step Wall: 6653.3, 0.00391202/step, 0.919759 hours remaining, 114.218750 MB of memory in use. ENERGY: 1653600 665.2517 1861.9018 1953.6703 105.3677 2.0079 -1103.1701 0.0000 0.0000 2736.0101 6221.0394 302.1999 3485.0293 6253.5003 303.3808 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: 6654.08, 0.00391238/step Wall: 6654.08, 0.00391238/step, 0.919628 hours remaining, 114.218750 MB of memory in use. ENERGY: 1653800 638.8990 1866.3174 1939.8461 106.4987 2.0126 -1124.7574 0.0000 0.0000 2719.5259 6148.3423 300.3792 3428.8164 6179.0099 301.6060 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: 6654.86, 0.00391204/step Wall: 6654.86, 0.00391204/step, 0.919329 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1654000 647.2051 1870.1437 1922.3119 113.1149 1.7195 -1116.0706 0.0000 0.0000 2705.3773 6143.8018 298.8165 3438.4245 6175.6429 295.8040 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: 6655.65, 0.00391353/step Wall: 6655.65, 0.00391353/step, 0.919463 hours remaining, 114.218750 MB of memory in use. ENERGY: 1654200 684.1298 1861.7193 1918.2435 106.0769 2.5082 -1126.1047 0.0000 0.0000 2670.4185 6116.9917 294.9552 3446.5732 6148.6745 297.5315 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: 6656.43, 0.00390632/step Wall: 6656.43, 0.00390632/step, 0.917551 hours remaining, 114.218750 MB of memory in use. ENERGY: 1654400 610.1484 1863.5501 1956.7282 113.9768 2.1311 -1118.6502 0.0000 0.0000 2718.1149 6145.9993 300.2234 3427.8844 6176.9916 299.3332 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: 6657.21, 0.00391186/step Wall: 6657.21, 0.00391186/step, 0.918635 hours remaining, 114.218750 MB of memory in use. ENERGY: 1654600 665.4456 1810.6391 1931.5415 111.7040 1.5965 -1099.2011 0.0000 0.0000 2676.7265 6098.4523 295.6519 3421.7257 6132.9687 297.4858 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: 6657.99, 0.00391085/step Wall: 6657.99, 0.00391085/step, 0.91818 hours remaining, 114.218750 MB of memory in use. ENERGY: 1654800 644.3498 1818.6763 1938.0795 104.7585 2.0175 -1090.9289 0.0000 0.0000 2720.1319 6137.0846 300.4461 3416.9527 6167.1308 296.4295 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: 6658.78, 0.00391258/step Wall: 6658.78, 0.00391258/step, 0.918371 hours remaining, 114.218750 MB of memory in use. ENERGY: 1655000 689.0799 1834.6971 1945.5438 107.0750 1.9123 -1124.8744 0.0000 0.0000 2751.7585 6205.1923 303.9394 3453.4338 6241.0942 300.1795 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: 6659.56, 0.00390535/step Wall: 6659.56, 0.00390535/step, 0.916457 hours remaining, 114.218750 MB of memory in use. ENERGY: 1655200 605.1758 1837.6569 1972.1494 107.0046 1.5998 -1073.3064 0.0000 0.0000 2737.4374 6187.7175 302.3576 3450.2801 6222.4253 300.6570 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: 6660.34, 0.00391205/step Wall: 6660.34, 0.00391205/step, 0.91781 hours remaining, 114.218750 MB of memory in use. ENERGY: 1655400 692.2103 1849.0082 1935.5371 104.4738 1.3602 -1109.3190 0.0000 0.0000 2766.5200 6239.7906 305.5698 3473.2706 6273.5838 301.4338 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: 6661.12, 0.0039106/step Wall: 6661.12, 0.0039106/step, 0.917253 hours remaining, 114.218750 MB of memory in use. ENERGY: 1655600 675.1515 1807.9015 1942.7229 120.5629 1.1861 -1089.1238 0.0000 0.0000 2780.1570 6238.5580 307.0761 3458.4010 6273.8787 304.0638 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: 6661.9, 0.00391176/step Wall: 6661.9, 0.00391176/step, 0.917308 hours remaining, 114.218750 MB of memory in use. ENERGY: 1655800 686.4869 1899.8812 1936.0775 121.9574 1.5977 -1117.1515 0.0000 0.0000 2694.6429 6223.4920 297.6308 3528.8491 6255.9800 302.1096 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: 6662.69, 0.00391154/step Wall: 6662.69, 0.00391154/step, 0.917039 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1656000 656.8703 1849.8017 1965.6091 115.4733 2.2091 -1085.6034 0.0000 0.0000 2750.7348 6255.0949 303.8263 3504.3601 6289.7504 304.5427 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: 6663.47, 0.00390722/step Wall: 6663.47, 0.00390722/step, 0.915808 hours remaining, 114.218750 MB of memory in use. ENERGY: 1656200 625.1760 1862.6146 1963.9387 110.4063 2.1683 -1076.6216 0.0000 0.0000 2756.6976 6244.3799 304.4849 3487.6823 6279.3833 303.6461 LDB: ============= START OF LOAD BALANCING ============== 6666.17 LDB: ============== END OF LOAD BALANCING =============== 6666.17 LDB: =============== DONE WITH MIGRATION ================ 6666.17 LDB: ============= START OF LOAD BALANCING ============== 6666.56 LDB: ============== END OF LOAD BALANCING =============== 6666.56 LDB: =============== DONE WITH MIGRATION ================ 6666.56 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: 6664.25, 0.00391735/step Wall: 6664.25, 0.00391735/step, 0.917966 hours remaining, 114.218750 MB of memory in use. ENERGY: 1656400 697.5944 1846.6043 1940.8439 109.1217 2.2166 -1090.2806 0.0000 0.0000 2745.4075 6251.5076 303.2379 3506.1001 6286.0542 303.0967 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: 6665.03, 0.00391316/step Wall: 6665.03, 0.00391316/step, 0.916766 hours remaining, 114.218750 MB of memory in use. ENERGY: 1656600 647.7373 1874.2323 1945.9133 109.8915 2.4484 -1079.8531 0.0000 0.0000 2764.3097 6264.6793 305.3257 3500.3697 6296.3096 304.2668 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: 6665.82, 0.00391189/step Wall: 6665.82, 0.00391189/step, 0.916252 hours remaining, 114.218750 MB of memory in use. ENERGY: 1656800 620.1686 1902.6372 1964.5401 125.1002 1.2515 -1089.0303 0.0000 0.0000 2753.3641 6278.0314 304.1167 3524.6673 6310.3893 305.2079 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: 6666.6, 0.00390728/step Wall: 6666.6, 0.00390728/step, 0.914955 hours remaining, 114.218750 MB of memory in use. ENERGY: 1657000 614.5576 1855.6264 1979.4269 121.4244 1.3951 -1020.7522 0.0000 0.0000 2723.6747 6275.3530 300.8375 3551.6783 6307.5272 305.3658 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: 6667.38, 0.00391201/step Wall: 6667.38, 0.00391201/step, 0.915846 hours remaining, 114.218750 MB of memory in use. ENERGY: 1657200 655.1883 1886.5694 1945.8833 111.0431 2.7900 -1089.4282 0.0000 0.0000 2766.0833 6278.1293 305.5216 3512.0460 6310.3633 303.7687 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: 6668.16, 0.00391207/step Wall: 6668.16, 0.00391207/step, 0.915642 hours remaining, 114.218750 MB of memory in use. ENERGY: 1657400 662.7669 1881.3365 1935.6468 96.1225 3.5910 -1094.3349 0.0000 0.0000 2740.8301 6225.9588 302.7323 3485.1288 6259.6461 304.1484 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: 6668.95, 0.00392866/step Wall: 6668.95, 0.00392866/step, 0.919308 hours remaining, 114.218750 MB of memory in use. ENERGY: 1657600 654.4192 1769.2653 1943.0444 105.7810 2.5882 -1100.5885 0.0000 0.0000 2752.9644 6127.4739 304.0726 3374.5096 6163.7452 299.1625 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: 6669.73, 0.00391591/step Wall: 6669.73, 0.00391591/step, 0.916105 hours remaining, 114.218750 MB of memory in use. ENERGY: 1657800 620.2153 1818.6074 1961.7830 108.2142 3.6690 -1106.3956 0.0000 0.0000 2779.5592 6185.6526 307.0101 3406.0933 6219.2241 299.5670 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: 6670.51, 0.00390892/step Wall: 6670.51, 0.00390892/step, 0.914252 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1658000 654.2203 1842.0507 1964.2675 107.5480 0.1316 -1094.3146 0.0000 0.0000 2730.7755 6204.6789 301.6218 3473.9035 6239.9113 301.6159 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: 6671.3, 0.00391405/step Wall: 6671.3, 0.00391405/step, 0.915235 hours remaining, 114.218750 MB of memory in use. ENERGY: 1658200 641.7211 1884.7295 1973.1371 103.0353 1.3402 -1115.7296 0.0000 0.0000 2740.2451 6228.4788 302.6677 3488.2337 6261.9972 304.4807 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: 6672.08, 0.0039133/step Wall: 6672.08, 0.0039133/step, 0.914844 hours remaining, 114.218750 MB of memory in use. ENERGY: 1658400 636.6823 1827.5624 1992.2221 111.0777 1.5163 -1088.2968 0.0000 0.0000 2733.0855 6213.8494 301.8769 3480.7639 6246.6211 301.0269 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: 6672.86, 0.0039133/step Wall: 6672.86, 0.0039133/step, 0.914624 hours remaining, 114.218750 MB of memory in use. ENERGY: 1658600 636.6244 1871.3613 1955.0255 115.9768 2.4553 -1087.1534 0.0000 0.0000 2741.3470 6235.6369 302.7894 3494.2899 6269.1882 302.0954 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: 6673.64, 0.00391406/step Wall: 6673.64, 0.00391406/step, 0.914585 hours remaining, 114.218750 MB of memory in use. ENERGY: 1658800 632.3311 1871.8272 1990.4853 114.4062 1.6690 -1099.3054 0.0000 0.0000 2732.9148 6244.3282 301.8581 3511.4134 6275.6814 303.3815 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: 6674.42, 0.00390559/step Wall: 6674.42, 0.00390559/step, 0.912389 hours remaining, 114.218750 MB of memory in use. ENERGY: 1659000 642.2299 1840.4751 1949.3950 94.9648 2.8936 -1075.9723 0.0000 0.0000 2725.5367 6179.5228 301.0431 3453.9861 6212.3425 300.5582 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: 6675.21, 0.00391163/step Wall: 6675.21, 0.00391163/step, 0.913584 hours remaining, 114.218750 MB of memory in use. ENERGY: 1659200 653.0193 1804.2462 1952.2491 117.7973 0.9697 -1074.4031 0.0000 0.0000 2708.1891 6162.0675 299.1270 3453.8785 6196.7610 298.9087 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: 6675.99, 0.00391095/step Wall: 6675.99, 0.00391095/step, 0.913207 hours remaining, 114.218750 MB of memory in use. ENERGY: 1659400 686.5335 1825.2557 1919.4372 111.1840 2.2270 -1085.1129 0.0000 0.0000 2717.8628 6177.3874 300.1955 3459.5246 6211.7977 300.6042 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: 6676.77, 0.00391359/step Wall: 6676.77, 0.00391359/step, 0.913606 hours remaining, 114.218750 MB of memory in use. ENERGY: 1659600 649.1791 1868.3219 1930.6355 105.5110 0.8513 -1095.1657 0.0000 0.0000 2711.6598 6170.9928 299.5104 3459.3330 6202.5177 299.2253 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: 6677.55, 0.00390725/step Wall: 6677.55, 0.00390725/step, 0.911908 hours remaining, 114.218750 MB of memory in use. ENERGY: 1659800 639.0009 1853.0603 1944.4845 100.0423 1.6078 -1122.0734 0.0000 0.0000 2717.6657 6133.7881 300.1737 3416.1224 6167.2943 298.6512 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: 6678.34, 0.00391874/step Wall: 6678.34, 0.00391874/step, 0.914374 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1660000 622.4756 1882.1051 1921.6594 111.9769 0.3423 -1082.4613 0.0000 0.0000 2688.9780 6145.0759 297.0051 3456.0979 6179.2301 296.6397 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1660000 WRITING COORDINATES TO DCD FILE MD.1.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: 6679.15, 0.00407532/step Wall: 6679.15, 0.00407532/step, 0.950682 hours remaining, 114.218750 MB of memory in use. ENERGY: 1660200 669.2496 1848.7357 1937.6850 99.1271 1.3221 -1132.7512 0.0000 0.0000 2694.1026 6117.4709 297.5711 3423.3684 6150.0122 298.1295 LDB: ============= START OF LOAD BALANCING ============== 6681.85 LDB: ============== END OF LOAD BALANCING =============== 6681.85 LDB: =============== DONE WITH MIGRATION ================ 6681.85 LDB: ============= START OF LOAD BALANCING ============== 6682.24 LDB: ============== END OF LOAD BALANCING =============== 6682.24 LDB: =============== DONE WITH MIGRATION ================ 6682.24 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: 6679.94, 0.00391928/step Wall: 6679.94, 0.00391928/step, 0.914063 hours remaining, 114.218750 MB of memory in use. ENERGY: 1660400 635.0878 1866.3908 1914.7571 118.8385 1.6123 -1099.4999 0.0000 0.0000 2708.8112 6145.9978 299.1957 3437.1866 6180.2346 296.3220 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: 6680.72, 0.00391304/step Wall: 6680.72, 0.00391304/step, 0.912391 hours remaining, 114.218750 MB of memory in use. ENERGY: 1660600 634.6207 1895.2819 1954.4714 109.3840 1.3127 -1098.7769 0.0000 0.0000 2682.2322 6178.5260 296.2600 3496.2938 6209.9370 299.5349 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: 6681.5, 0.00390496/step Wall: 6681.5, 0.00390496/step, 0.91029 hours remaining, 114.218750 MB of memory in use. ENERGY: 1660800 631.2042 1815.5607 1953.8215 102.5909 3.5446 -1092.8479 0.0000 0.0000 2775.7752 6189.6492 306.5921 3413.8740 6225.0337 300.1426 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: 6682.28, 0.00391057/step Wall: 6682.28, 0.00391057/step, 0.91138 hours remaining, 114.218750 MB of memory in use. ENERGY: 1661000 653.0315 1851.6193 1978.4492 101.5171 2.9809 -1104.1022 0.0000 0.0000 2732.6545 6216.1503 301.8293 3483.4958 6249.0220 302.9943 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: 6683.06, 0.00391095/step Wall: 6683.06, 0.00391095/step, 0.911251 hours remaining, 114.218750 MB of memory in use. ENERGY: 1661200 667.3159 1850.6057 1938.3629 108.5664 2.0392 -1115.3479 0.0000 0.0000 2730.2185 6181.7607 301.5602 3451.5422 6214.2400 301.1695 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: 6683.85, 0.00391158/step Wall: 6683.85, 0.00391158/step, 0.911182 hours remaining, 114.218750 MB of memory in use. ENERGY: 1661400 666.4764 1832.8352 1969.0067 112.2137 -0.1160 -1079.6327 0.0000 0.0000 2715.7136 6216.4969 299.9581 3500.7833 6249.1206 301.1666 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: 6684.63, 0.00390626/step Wall: 6684.63, 0.00390626/step, 0.909724 hours remaining, 114.218750 MB of memory in use. ENERGY: 1661600 655.4913 1824.7147 1940.0469 98.0998 0.4977 -1085.1914 0.0000 0.0000 2802.0252 6235.6843 309.4915 3433.6591 6271.3564 300.9731 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: 6685.41, 0.00391183/step Wall: 6685.41, 0.00391183/step, 0.910804 hours remaining, 114.218750 MB of memory in use. ENERGY: 1661800 701.1482 1837.2683 1971.0809 95.2515 2.2199 -1068.6240 0.0000 0.0000 2770.8657 6309.2105 306.0498 3538.3449 6344.4360 304.8819 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: 6686.19, 0.00391182/step Wall: 6686.19, 0.00391182/step, 0.910585 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1662000 669.3336 1829.0122 1955.7800 116.8419 2.8069 -1078.6894 0.0000 0.0000 2768.8836 6263.9689 305.8309 3495.0853 6297.5881 305.8097 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: 6686.97, 0.00391263/step Wall: 6686.97, 0.00391263/step, 0.910556 hours remaining, 114.218750 MB of memory in use. ENERGY: 1662200 671.9296 1882.5215 1939.0222 110.7834 2.8680 -1076.2949 0.0000 0.0000 2765.9004 6296.7301 305.5014 3530.8297 6331.2139 304.7504 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: 6687.76, 0.00391224/step Wall: 6687.76, 0.00391224/step, 0.910248 hours remaining, 114.218750 MB of memory in use. ENERGY: 1662400 681.8637 1839.5671 1976.1291 105.6463 1.9426 -1095.3190 0.0000 0.0000 2767.5137 6277.3434 305.6796 3509.8297 6312.4903 305.7786 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: 6688.54, 0.00390636/step Wall: 6688.54, 0.00390636/step, 0.908664 hours remaining, 114.218750 MB of memory in use. ENERGY: 1662600 668.7990 1890.5506 1959.1917 90.4743 2.1472 -1090.3917 0.0000 0.0000 2735.6572 6256.4284 302.1610 3520.7712 6290.4929 304.3705 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: 6689.32, 0.00391254/step Wall: 6689.32, 0.00391254/step, 0.909883 hours remaining, 114.218750 MB of memory in use. ENERGY: 1662800 639.8924 1845.7396 1948.8464 104.8238 2.8419 -1103.2920 0.0000 0.0000 2814.1756 6253.0277 310.8335 3438.8521 6290.6792 304.6547 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: 6690.1, 0.00391185/step Wall: 6690.1, 0.00391185/step, 0.909504 hours remaining, 114.218750 MB of memory in use. ENERGY: 1663000 676.9360 1896.3753 1966.9085 114.3289 2.6920 -1123.8377 0.0000 0.0000 2729.5929 6262.9959 301.4911 3533.4030 6296.6786 304.7324 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: 6690.89, 0.00391181/step Wall: 6690.89, 0.00391181/step, 0.909278 hours remaining, 114.218750 MB of memory in use. ENERGY: 1663200 633.5592 1842.3688 1959.3715 122.5073 2.1605 -1084.4746 0.0000 0.0000 2749.3257 6224.8183 303.6707 3475.4927 6257.2006 302.4595 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: 6691.67, 0.00390728/step Wall: 6691.67, 0.00390728/step, 0.908008 hours remaining, 114.218750 MB of memory in use. ENERGY: 1663400 673.6037 1819.1836 1944.3809 101.0882 0.8837 -1126.0607 0.0000 0.0000 2788.9684 6202.0478 308.0493 3413.0794 6236.5567 302.9665 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: 6692.45, 0.00391268/step Wall: 6692.45, 0.00391268/step, 0.909046 hours remaining, 114.218750 MB of memory in use. ENERGY: 1663600 664.3485 1835.9359 1959.5203 108.6563 1.5079 -1100.7905 0.0000 0.0000 2728.2920 6197.4705 301.3475 3469.1785 6227.9960 301.3383 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: 6693.23, 0.00391308/step Wall: 6693.23, 0.00391308/step, 0.908921 hours remaining, 114.218750 MB of memory in use. ENERGY: 1663800 635.5303 1832.0851 1942.2032 121.4408 1.5589 -1097.6987 0.0000 0.0000 2795.7754 6230.8951 308.8012 3435.1197 6266.6695 302.9530 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: 6694.01, 0.00391433/step Wall: 6694.01, 0.00391433/step, 0.908996 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1664000 688.6297 1834.3491 1934.9732 103.3772 0.3686 -1092.1682 0.0000 0.0000 2739.7037 6209.2333 302.6079 3469.5296 6241.0433 302.7413 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: 6694.8, 0.00391293/step Wall: 6694.8, 0.00391293/step, 0.908451 hours remaining, 114.218750 MB of memory in use. ENERGY: 1664200 640.7774 1896.7230 1925.9535 98.9411 1.2707 -1046.1500 0.0000 0.0000 2708.9514 6226.4671 299.2112 3517.5157 6257.5354 302.7290 LDB: ============= START OF LOAD BALANCING ============== 6697.5 LDB: ============== END OF LOAD BALANCING =============== 6697.5 LDB: =============== DONE WITH MIGRATION ================ 6697.5 LDB: ============= START OF LOAD BALANCING ============== 6697.89 LDB: ============== END OF LOAD BALANCING =============== 6697.89 LDB: =============== DONE WITH MIGRATION ================ 6697.89 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: 6695.58, 0.00391115/step Wall: 6695.58, 0.00391115/step, 0.907821 hours remaining, 114.218750 MB of memory in use. ENERGY: 1664400 638.0614 1891.4919 1950.1798 100.6639 1.8048 -1098.1963 0.0000 0.0000 2714.9789 6198.9844 299.8770 3484.0055 6230.7271 301.3192 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: 6696.36, 0.00391419/step Wall: 6696.36, 0.00391419/step, 0.908309 hours remaining, 114.218750 MB of memory in use. ENERGY: 1664600 653.7607 1846.4557 1963.4911 115.0310 1.2486 -1095.9553 0.0000 0.0000 2715.4433 6199.4751 299.9283 3484.0319 6232.1960 299.5485 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: 6697.15, 0.00391294/step Wall: 6697.15, 0.00391294/step, 0.907802 hours remaining, 114.218750 MB of memory in use. ENERGY: 1664800 638.2497 1846.9681 1911.9043 107.1405 1.6450 -1071.4136 0.0000 0.0000 2749.1592 6183.6531 303.6523 3434.4938 6216.8141 299.3285 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: 6697.93, 0.00391331/step Wall: 6697.93, 0.00391331/step, 0.90767 hours remaining, 114.218750 MB of memory in use. ENERGY: 1665000 679.6462 1858.7663 1946.8624 105.5890 1.5181 -1078.8911 0.0000 0.0000 2680.3847 6193.8756 296.0560 3513.4909 6226.1117 299.8508 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: 6698.71, 0.00391207/step Wall: 6698.71, 0.00391207/step, 0.907167 hours remaining, 114.218750 MB of memory in use. ENERGY: 1665200 677.4059 1849.9404 1966.3082 99.6650 2.2375 -1114.3969 0.0000 0.0000 2686.7773 6167.9374 296.7620 3481.1601 6196.9330 301.0013 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: 6699.49, 0.00390666/step Wall: 6699.49, 0.00390666/step, 0.905695 hours remaining, 114.218750 MB of memory in use. ENERGY: 1665400 643.9581 1836.7303 1922.5836 108.0238 2.6091 -1115.7677 0.0000 0.0000 2790.4072 6188.5443 308.2082 3398.1372 6225.5999 301.9590 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: 6700.27, 0.00391187/step Wall: 6700.27, 0.00391187/step, 0.906684 hours remaining, 114.218750 MB of memory in use. ENERGY: 1665600 649.4424 1848.3981 1953.8379 103.7074 2.3206 -1058.9323 0.0000 0.0000 2737.3045 6236.0785 302.3429 3498.7740 6271.3390 301.3064 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: 6701.06, 0.00391104/step Wall: 6701.06, 0.00391104/step, 0.906276 hours remaining, 114.218750 MB of memory in use. ENERGY: 1665800 667.5264 1888.5325 1977.0338 108.6240 -0.1011 -1106.8350 0.0000 0.0000 2709.3975 6244.1780 299.2605 3534.7805 6276.9671 303.4259 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: 6701.84, 0.00391268/step Wall: 6701.84, 0.00391268/step, 0.906436 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1666000 657.0027 1830.8225 1992.9985 109.8382 1.3746 -1089.1601 0.0000 0.0000 2714.3615 6217.2379 299.8088 3502.8764 6252.3231 303.5254 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: 6702.62, 0.00390849/step Wall: 6702.62, 0.00390849/step, 0.905251 hours remaining, 114.218750 MB of memory in use. ENERGY: 1666200 674.9816 1843.6776 1957.8183 111.4693 1.6173 -1078.7991 0.0000 0.0000 2708.7282 6219.4932 299.1866 3510.7649 6249.4116 301.2028 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: 6703.4, 0.00391384/step Wall: 6703.4, 0.00391384/step, 0.906271 hours remaining, 114.218750 MB of memory in use. ENERGY: 1666400 643.3997 1864.3188 1971.1012 105.2163 2.4288 -1092.3793 0.0000 0.0000 2755.5291 6249.6145 304.3559 3494.0855 6281.6436 302.8973 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: 6704.19, 0.00391252/step Wall: 6704.19, 0.00391252/step, 0.905748 hours remaining, 114.218750 MB of memory in use. ENERGY: 1666600 659.4056 1798.8590 1976.0638 105.7089 2.3099 -1079.0981 0.0000 0.0000 2760.1098 6223.3590 304.8618 3463.2492 6260.0059 302.7724 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: 6704.97, 0.00391176/step Wall: 6704.97, 0.00391176/step, 0.905356 hours remaining, 114.218750 MB of memory in use. ENERGY: 1666800 649.7035 1796.7161 1952.4738 100.3200 2.3992 -1081.8464 0.0000 0.0000 2747.8287 6167.5949 303.5053 3419.7662 6198.4924 299.1130 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: 6705.75, 0.00391272/step Wall: 6705.75, 0.00391272/step, 0.90536 hours remaining, 114.218750 MB of memory in use. ENERGY: 1667000 644.5002 1795.3741 1943.5760 114.1978 1.9763 -1075.4796 0.0000 0.0000 2708.5901 6132.7350 299.1713 3424.1449 6165.3993 297.4686 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: 6706.53, 0.00390649/step Wall: 6706.53, 0.00390649/step, 0.903702 hours remaining, 114.218750 MB of memory in use. ENERGY: 1667200 623.6389 1803.2166 1965.1507 103.6512 1.4789 -1084.5091 0.0000 0.0000 2718.7928 6131.4200 300.2982 3412.6272 6164.1833 295.7712 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: 6707.31, 0.00391196/step Wall: 6707.31, 0.00391196/step, 0.904749 hours remaining, 114.218750 MB of memory in use. ENERGY: 1667400 640.9707 1870.4822 1939.9084 100.9995 1.2081 -1104.3510 0.0000 0.0000 2714.2273 6163.4453 299.7940 3449.2179 6196.6719 296.6330 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: 6708.1, 0.00391366/step Wall: 6708.1, 0.00391366/step, 0.904924 hours remaining, 114.218750 MB of memory in use. ENERGY: 1667600 656.6487 1801.9641 1940.7068 106.3571 0.5538 -1081.4580 0.0000 0.0000 2714.6739 6139.4462 299.8433 3424.7724 6172.8169 298.0373 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: 6708.88, 0.00391372/step Wall: 6708.88, 0.00391372/step, 0.904722 hours remaining, 114.218750 MB of memory in use. ENERGY: 1667800 638.6911 1801.3545 1950.5315 107.9170 1.1149 -1074.5672 0.0000 0.0000 2625.8077 6050.8495 290.0278 3425.0417 6083.3876 294.5123 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: 6709.66, 0.00390611/step Wall: 6709.66, 0.00390611/step, 0.902745 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1668000 682.9981 1804.5856 1971.0775 115.8005 1.8613 -1115.4117 0.0000 0.0000 2631.0995 6092.0109 290.6123 3460.9114 6123.8745 295.0067 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: 6710.44, 0.00391286/step Wall: 6710.44, 0.00391286/step, 0.904087 hours remaining, 114.218750 MB of memory in use. ENERGY: 1668200 667.5339 1868.7223 1952.6610 104.4981 0.9062 -1106.0804 0.0000 0.0000 2660.6491 6148.8901 293.8761 3488.2410 6177.4523 296.8142 LDB: ============= START OF LOAD BALANCING ============== 6713.14 LDB: ============== END OF LOAD BALANCING =============== 6713.14 LDB: =============== DONE WITH MIGRATION ================ 6713.14 LDB: ============= START OF LOAD BALANCING ============== 6713.54 LDB: ============== END OF LOAD BALANCING =============== 6713.54 LDB: =============== DONE WITH MIGRATION ================ 6713.54 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: 6711.23, 0.00391723/step Wall: 6711.23, 0.00391723/step, 0.90488 hours remaining, 114.218750 MB of memory in use. ENERGY: 1668400 658.6764 1836.0957 1945.1535 105.8900 2.4251 -1095.9519 0.0000 0.0000 2676.0571 6128.3458 295.5780 3452.2887 6161.0718 297.7773 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: 6712.01, 0.00391301/step Wall: 6712.01, 0.00391301/step, 0.903687 hours remaining, 114.218750 MB of memory in use. ENERGY: 1668600 629.5740 1848.4250 1930.9660 110.3396 2.3090 -1071.6917 0.0000 0.0000 2681.0981 6131.0201 296.1348 3449.9220 6165.4826 297.7821 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: 6712.79, 0.0039115/step Wall: 6712.79, 0.0039115/step, 0.903121 hours remaining, 114.218750 MB of memory in use. ENERGY: 1668800 677.2298 1840.1532 1942.4705 108.3724 2.2582 -1113.7447 0.0000 0.0000 2609.2054 6065.9447 288.1940 3456.7393 6098.4144 293.9927 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: 6713.57, 0.00390704/step Wall: 6713.57, 0.00390704/step, 0.901875 hours remaining, 114.218750 MB of memory in use. ENERGY: 1669000 624.8537 1865.9565 1972.0397 100.4557 1.2408 -1092.0286 0.0000 0.0000 2618.1717 6090.6894 289.1844 3472.5178 6122.9264 294.1059 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: 6714.36, 0.00391401/step Wall: 6714.36, 0.00391401/step, 0.903267 hours remaining, 114.218750 MB of memory in use. ENERGY: 1669200 644.9260 1801.1178 1925.5060 96.4452 1.4698 -1110.7200 0.0000 0.0000 2748.3379 6107.0826 303.5616 3358.7447 6144.2417 293.7890 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: 6715.14, 0.00391483/step Wall: 6715.14, 0.00391483/step, 0.903238 hours remaining, 114.218750 MB of memory in use. ENERGY: 1669400 636.0190 1876.3569 1923.4308 108.0036 1.6846 -1100.0324 0.0000 0.0000 2656.3868 6101.8493 293.4053 3445.4625 6137.9976 296.5193 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: 6715.92, 0.00391551/step Wall: 6715.92, 0.00391551/step, 0.903179 hours remaining, 114.218750 MB of memory in use. ENERGY: 1669600 620.9936 1860.2130 1922.3024 94.5275 1.6176 -1106.0131 0.0000 0.0000 2691.9103 6085.5513 297.3290 3393.6410 6117.1486 293.7048 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: 6716.7, 0.00390894/step Wall: 6716.7, 0.00390894/step, 0.901445 hours remaining, 114.218750 MB of memory in use. ENERGY: 1669800 621.2643 1860.9321 1935.4536 114.6112 2.8912 -1108.8058 0.0000 0.0000 2663.0596 6089.4063 294.1424 3426.3466 6123.0214 294.7409 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: 6717.49, 0.00391448/step Wall: 6717.49, 0.00391448/step, 0.902504 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1670000 646.7850 1827.5856 1936.0887 110.6979 2.6831 -1105.9149 0.0000 0.0000 2721.3533 6139.2787 300.5811 3417.9254 6170.7583 297.7286 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1670000 WRITING COORDINATES TO DCD FILE MD.1.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: 6718.3, 0.0040808/step Wall: 6718.3, 0.0040808/step, 0.940623 hours remaining, 114.218750 MB of memory in use. ENERGY: 1670200 664.9544 1796.1890 1921.2824 111.5054 1.7579 -1116.0736 0.0000 0.0000 2741.4614 6121.0768 302.8020 3379.6154 6153.9702 298.5696 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: 6719.09, 0.00391681/step Wall: 6719.09, 0.00391681/step, 0.902608 hours remaining, 114.218750 MB of memory in use. ENERGY: 1670400 658.3297 1808.1688 1954.1153 126.6486 0.6381 -1137.3703 0.0000 0.0000 2730.3471 6140.8773 301.5744 3410.5301 6177.2070 298.6826 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: 6719.87, 0.00391325/step Wall: 6719.87, 0.00391325/step, 0.901568 hours remaining, 114.218750 MB of memory in use. ENERGY: 1670600 656.9973 1809.9644 1935.8788 114.6502 1.4327 -1122.4536 0.0000 0.0000 2691.9661 6088.4359 297.3351 3396.4698 6121.3907 296.6875 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: 6720.65, 0.00391039/step Wall: 6720.65, 0.00391039/step, 0.900693 hours remaining, 114.218750 MB of memory in use. ENERGY: 1670800 671.6640 1803.5219 1955.0132 112.4071 2.6986 -1103.6618 0.0000 0.0000 2677.0400 6118.6830 295.6865 3441.6430 6151.1751 295.3762 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: 6721.43, 0.00391531/step Wall: 6721.43, 0.00391531/step, 0.901608 hours remaining, 114.218750 MB of memory in use. ENERGY: 1671000 644.3447 1834.3291 1978.7602 105.6333 3.5496 -1123.2578 0.0000 0.0000 2650.6085 6093.9677 292.7671 3443.3592 6126.5210 294.9319 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: 6722.22, 0.00391251/step Wall: 6722.22, 0.00391251/step, 0.900747 hours remaining, 114.218750 MB of memory in use. ENERGY: 1671200 658.7962 1785.1993 1930.0392 109.6625 1.6248 -1059.2813 0.0000 0.0000 2713.4697 6139.5105 299.7103 3426.0407 6172.2672 294.2498 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: 6723, 0.00391451/step Wall: 6723, 0.00391451/step, 0.900989 hours remaining, 114.218750 MB of memory in use. ENERGY: 1671400 673.5528 1818.3858 1955.9721 102.4907 1.5301 -1093.5890 0.0000 0.0000 2708.2626 6166.6051 299.1352 3458.3425 6198.4832 296.7302 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: 6723.78, 0.00391559/step Wall: 6723.78, 0.0039156/step, 0.901023 hours remaining, 114.218750 MB of memory in use. ENERGY: 1671600 663.0829 1850.3611 1952.2486 101.9638 0.8998 -1112.2182 0.0000 0.0000 2793.0725 6249.4106 308.5026 3456.3380 6282.6246 299.8487 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: 6724.56, 0.00390925/step Wall: 6724.56, 0.00390925/step, 0.899345 hours remaining, 114.218750 MB of memory in use. ENERGY: 1671800 675.8384 1776.3457 1951.5116 106.6526 1.7446 -1093.4742 0.0000 0.0000 2759.3922 6178.0109 304.7826 3418.6187 6213.0532 300.6213 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: 6725.35, 0.00391418/step Wall: 6725.35, 0.00391418/step, 0.90026 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1672000 650.0958 1830.8476 1957.8382 117.2784 0.3047 -1092.9637 0.0000 0.0000 2700.7620 6164.1630 298.3067 3463.4010 6198.2191 298.5222 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: 6726.13, 0.00391309/step Wall: 6726.13, 0.00391309/step, 0.899792 hours remaining, 114.218750 MB of memory in use. ENERGY: 1672200 698.9675 1838.1095 1952.4032 101.1638 0.5595 -1114.9264 0.0000 0.0000 2743.8286 6220.1058 303.0635 3476.2772 6254.1878 300.4230 LDB: ============= START OF LOAD BALANCING ============== 6728.83 LDB: ============== END OF LOAD BALANCING =============== 6728.83 LDB: =============== DONE WITH MIGRATION ================ 6728.83 LDB: ============= START OF LOAD BALANCING ============== 6729.22 LDB: ============== END OF LOAD BALANCING =============== 6729.22 LDB: =============== DONE WITH MIGRATION ================ 6729.22 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: 6726.91, 0.00391897/step Wall: 6726.91, 0.00391897/step, 0.900929 hours remaining, 114.218750 MB of memory in use. ENERGY: 1672400 668.4200 1850.3705 1944.6148 99.9500 1.1610 -1099.0718 0.0000 0.0000 2728.2164 6193.6609 301.3391 3465.4445 6228.9259 300.5348 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: 6727.7, 0.00390971/step Wall: 6727.7, 0.00390971/step, 0.898582 hours remaining, 114.218750 MB of memory in use. ENERGY: 1672600 660.6006 1863.1288 1903.9420 111.7168 1.9006 -1095.3128 0.0000 0.0000 2682.7849 6128.7610 296.3211 3445.9760 6164.4446 297.3948 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: 6728.48, 0.00391626/step Wall: 6728.48, 0.00391626/step, 0.899871 hours remaining, 114.218750 MB of memory in use. ENERGY: 1672800 648.8920 1879.8798 1926.7370 108.8632 0.2488 -1096.7152 0.0000 0.0000 2692.0361 6159.9416 297.3429 3467.9056 6192.7362 296.8277 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: 6729.26, 0.00392695/step Wall: 6729.26, 0.00392695/step, 0.902109 hours remaining, 114.218750 MB of memory in use. ENERGY: 1673000 645.8281 1839.0552 1953.6562 104.5507 0.5096 -1071.1766 0.0000 0.0000 2680.3277 6152.7509 296.0497 3472.4231 6181.4571 297.5727 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: 6730.05, 0.00391567/step Wall: 6730.05, 0.00391567/step, 0.899299 hours remaining, 114.218750 MB of memory in use. ENERGY: 1673200 629.2733 1880.4871 1948.7514 97.6339 1.6281 -1101.2963 0.0000 0.0000 2688.2711 6144.7485 296.9270 3456.4774 6178.6272 297.9628 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: 6730.83, 0.00391321/step Wall: 6730.83, 0.0039132/step, 0.898514 hours remaining, 114.218750 MB of memory in use. ENERGY: 1673400 624.7108 1858.1308 1947.4194 101.6174 -0.0824 -1059.8329 0.0000 0.0000 2640.1624 6112.1256 291.6133 3471.9631 6142.5903 296.3331 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: 6731.61, 0.00390783/step Wall: 6731.61, 0.00390783/step, 0.897065 hours remaining, 114.218750 MB of memory in use. ENERGY: 1673600 631.4894 1842.9258 1941.3564 118.2768 0.8260 -1063.1607 0.0000 0.0000 2650.7747 6122.4883 292.7855 3471.7136 6152.9383 295.5261 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: 6732.39, 0.00391205/step Wall: 6732.39, 0.00391205/step, 0.897816 hours remaining, 114.218750 MB of memory in use. ENERGY: 1673800 673.8527 1816.4695 1976.9029 103.0842 -0.3116 -1093.6093 0.0000 0.0000 2654.8487 6131.2371 293.2354 3476.3884 6163.3477 296.4158 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: 6733.18, 0.00391205/step Wall: 6733.18, 0.00391205/step, 0.897599 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1674000 655.6530 1815.7531 1983.5684 118.0106 0.4309 -1122.4296 0.0000 0.0000 2683.8176 6134.8041 296.4351 3450.9864 6169.1333 297.5093 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: 6733.96, 0.00391188/step Wall: 6733.96, 0.00391188/step, 0.897341 hours remaining, 114.218750 MB of memory in use. ENERGY: 1674200 657.0560 1847.5161 1953.1478 114.4386 2.5885 -1126.9842 0.0000 0.0000 2703.2403 6151.0030 298.5804 3447.7628 6183.4555 296.7348 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: 6734.74, 0.00390688/step Wall: 6734.74, 0.00390688/step, 0.895979 hours remaining, 114.218750 MB of memory in use. ENERGY: 1674400 630.1217 1808.6003 1950.5871 114.2663 2.3499 -1072.0583 0.0000 0.0000 2694.7520 6128.6190 297.6429 3433.8670 6164.6080 297.9541 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: 6735.52, 0.00391131/step Wall: 6735.52, 0.00391131/step, 0.896777 hours remaining, 114.218750 MB of memory in use. ENERGY: 1674600 671.6936 1783.6763 1997.7742 113.1191 2.6921 -1106.0036 0.0000 0.0000 2638.3661 6101.3179 291.4149 3462.9518 6133.8595 295.4494 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: 6736.3, 0.0039124/step Wall: 6736.3, 0.0039124/step, 0.896809 hours remaining, 114.218750 MB of memory in use. ENERGY: 1674800 647.5640 1789.6497 1983.5997 110.8325 3.8073 -1099.6464 0.0000 0.0000 2687.7333 6123.5401 296.8676 3435.8068 6157.9884 294.1280 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: 6737.09, 0.00391021/step Wall: 6737.09, 0.00391021/step, 0.896089 hours remaining, 114.218750 MB of memory in use. ENERGY: 1675000 640.9502 1850.1770 1960.6830 94.3130 3.4673 -1129.5011 0.0000 0.0000 2721.8961 6141.9856 300.6410 3420.0894 6175.7255 296.6782 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: 6737.87, 0.00390974/step Wall: 6737.87, 0.00390974/step, 0.895765 hours remaining, 114.218750 MB of memory in use. ENERGY: 1675200 649.2181 1819.2061 1967.1121 111.8536 2.3629 -1082.3379 0.0000 0.0000 2703.5390 6170.9540 298.6134 3467.4150 6204.2415 299.1351 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: 6738.65, 0.00390715/step Wall: 6738.65, 0.00390715/step, 0.894953 hours remaining, 114.218750 MB of memory in use. ENERGY: 1675400 634.5254 1887.5943 1935.1583 102.3505 2.6274 -1089.3600 0.0000 0.0000 2694.3912 6167.2871 297.6030 3472.8959 6202.7096 298.3531 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: 6739.43, 0.0039107/step Wall: 6739.43, 0.00391071/step, 0.895553 hours remaining, 114.218750 MB of memory in use. ENERGY: 1675600 630.0791 1815.8147 1965.8544 99.1414 2.3868 -1076.4632 0.0000 0.0000 2778.2383 6215.0517 306.8642 3436.8133 6249.4425 299.1863 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: 6740.21, 0.00391193/step Wall: 6740.21, 0.00391193/step, 0.895614 hours remaining, 114.218750 MB of memory in use. ENERGY: 1675800 629.8056 1829.9435 1954.7885 118.6022 2.3533 -1093.2744 0.0000 0.0000 2732.6407 6174.8594 301.8278 3442.2187 6212.9855 300.0126 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: 6741, 0.00391106/step Wall: 6741, 0.00391106/step, 0.895197 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1676000 690.9475 1830.9215 1943.6570 105.2012 3.0970 -1112.0467 0.0000 0.0000 2728.5665 6190.3441 301.3778 3461.7776 6224.0484 299.2668 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: 6741.78, 0.00391231/step Wall: 6741.78, 0.00391231/step, 0.895268 hours remaining, 114.218750 MB of memory in use. ENERGY: 1676200 673.2149 1868.6127 1961.1032 99.3532 2.0395 -1149.7860 0.0000 0.0000 2789.7678 6244.3053 308.1376 3454.5375 6279.2149 301.9340 LDB: ============= START OF LOAD BALANCING ============== 6744.48 LDB: ============== END OF LOAD BALANCING =============== 6744.48 LDB: =============== DONE WITH MIGRATION ================ 6744.48 LDB: ============= START OF LOAD BALANCING ============== 6744.87 LDB: ============== END OF LOAD BALANCING =============== 6744.87 LDB: =============== DONE WITH MIGRATION ================ 6744.87 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: 6742.56, 0.00391071/step Wall: 6742.56, 0.00391071/step, 0.894684 hours remaining, 114.218750 MB of memory in use. ENERGY: 1676400 669.8065 1905.0802 1988.6012 108.7307 1.9022 -1129.0645 0.0000 0.0000 2704.1215 6249.1778 298.6778 3545.0562 6280.2710 303.1322 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: 6743.34, 0.00391175/step Wall: 6743.34, 0.00391175/step, 0.894704 hours remaining, 114.218750 MB of memory in use. ENERGY: 1676600 644.0401 1847.7766 1965.4173 92.6705 1.4945 -1069.4165 0.0000 0.0000 2728.6410 6210.6236 301.3860 3481.9826 6245.9837 300.5205 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: 6744.13, 0.00391021/step Wall: 6744.13, 0.00391021/step, 0.894135 hours remaining, 114.218750 MB of memory in use. ENERGY: 1676800 649.4975 1883.0077 1951.2338 106.3180 2.0841 -1103.0918 0.0000 0.0000 2723.6858 6212.7351 300.8387 3489.0493 6244.9607 300.3427 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: 6744.91, 0.0039111/step Wall: 6744.91, 0.0039111/step, 0.89412 hours remaining, 114.218750 MB of memory in use. ENERGY: 1677000 629.6728 1843.3883 1951.3003 112.9788 1.6435 -1125.3886 0.0000 0.0000 2743.7758 6157.3710 303.0577 3413.5951 6190.3752 300.6460 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: 6745.69, 0.00390561/step Wall: 6745.69, 0.00390561/step, 0.892648 hours remaining, 114.218750 MB of memory in use. ENERGY: 1677200 663.4996 1830.9493 1958.0024 99.7557 1.6910 -1092.2808 0.0000 0.0000 2699.0568 6160.6741 298.1183 3461.6173 6192.2837 299.2427 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: 6746.47, 0.00391111/step Wall: 6746.47, 0.00391111/step, 0.89369 hours remaining, 114.218750 MB of memory in use. ENERGY: 1677400 652.1591 1840.9331 1930.8694 102.8193 3.5509 -1113.8612 0.0000 0.0000 2711.6793 6128.1499 299.5125 3416.4706 6160.7353 298.6081 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: 6747.25, 0.00391033/step Wall: 6747.25, 0.00391032/step, 0.893292 hours remaining, 114.218750 MB of memory in use. ENERGY: 1677600 622.3226 1845.4783 1937.5382 112.7669 3.8183 -1088.9613 0.0000 0.0000 2688.1411 6121.1042 296.9127 3432.9631 6154.0754 295.7394 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: 6748.04, 0.00391055/step Wall: 6748.04, 0.00391056/step, 0.893128 hours remaining, 114.218750 MB of memory in use. ENERGY: 1677800 662.8845 1869.1279 1952.3139 113.7575 3.0185 -1111.3212 0.0000 0.0000 2655.2825 6145.0638 293.2834 3489.7813 6175.6474 297.2368 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: 6748.82, 0.00391259/step Wall: 6748.82, 0.00391259/step, 0.893374 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1678000 664.1212 1853.9230 1953.0973 116.5540 1.2881 -1117.6955 0.0000 0.0000 2691.9408 6163.2290 297.3324 3471.2882 6196.7776 296.8043 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: 6749.6, 0.00390436/step Wall: 6749.6, 0.00390436/step, 0.891278 hours remaining, 114.218750 MB of memory in use. ENERGY: 1678200 666.2973 1847.5809 1938.6162 114.1808 2.8298 -1102.0976 0.0000 0.0000 2682.5111 6149.9187 296.2908 3467.4075 6181.8898 299.4136 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: 6750.38, 0.00391137/step Wall: 6750.38, 0.00391137/step, 0.892662 hours remaining, 114.218750 MB of memory in use. ENERGY: 1678400 652.4927 1804.1880 1971.0637 103.0479 2.8423 -1144.0196 0.0000 0.0000 2782.4458 6172.0608 307.3289 3389.6150 6207.9166 298.6184 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: 6751.16, 0.00390922/step Wall: 6751.16, 0.00390922/step, 0.891954 hours remaining, 114.218750 MB of memory in use. ENERGY: 1678600 646.9059 1794.7858 1956.4183 104.0749 1.6043 -1066.1080 0.0000 0.0000 2680.5186 6118.1997 296.0707 3437.6811 6152.9892 297.7498 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: 6751.95, 0.00391103/step Wall: 6751.95, 0.00391103/step, 0.89215 hours remaining, 114.218750 MB of memory in use. ENERGY: 1678800 683.7854 1816.2294 1930.8804 96.0513 2.8626 -1102.3629 0.0000 0.0000 2643.0656 6070.5117 291.9340 3427.4462 6101.8889 295.4699 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: 6752.73, 0.00390359/step Wall: 6752.73, 0.00390359/step, 0.890234 hours remaining, 114.218750 MB of memory in use. ENERGY: 1679000 655.4538 1877.7090 1941.9265 101.2315 0.6366 -1118.7758 0.0000 0.0000 2619.9312 6078.1127 289.3787 3458.1815 6110.2443 293.4641 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: 6753.51, 0.00390941/step Wall: 6753.51, 0.00390941/step, 0.891346 hours remaining, 114.218750 MB of memory in use. ENERGY: 1679200 649.3649 1842.7900 1940.3270 111.3775 2.9033 -1131.6363 0.0000 0.0000 2720.8578 6135.9843 300.5263 3415.1265 6170.2408 295.6004 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: 6754.29, 0.00390916/step Wall: 6754.29, 0.00390916/step, 0.891071 hours remaining, 114.218750 MB of memory in use. ENERGY: 1679400 677.9844 1869.0838 1912.7762 119.1740 1.6392 -1105.7956 0.0000 0.0000 2660.6350 6135.4970 293.8745 3474.8620 6168.9105 296.0746 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: 6755.07, 0.00390889/step Wall: 6755.07, 0.00390889/step, 0.890792 hours remaining, 114.218750 MB of memory in use. ENERGY: 1679600 636.4828 1861.2165 1949.0494 110.9383 2.6742 -1127.1230 0.0000 0.0000 2682.0769 6115.3151 296.2429 3433.2383 6147.0802 296.6394 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: 6755.85, 0.00390854/step Wall: 6755.85, 0.00390854/step, 0.890495 hours remaining, 114.218750 MB of memory in use. ENERGY: 1679800 676.3409 1810.2427 1951.0100 104.6976 2.5153 -1085.6475 0.0000 0.0000 2692.9378 6152.0966 297.4425 3459.1588 6183.1257 296.1391 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: 6756.63, 0.00390373/step Wall: 6756.63, 0.00390373/step, 0.889183 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1680000 700.0621 1881.4871 1931.6888 101.6053 1.8382 -1099.0376 0.0000 0.0000 2699.5653 6217.2092 298.1745 3517.6439 6248.5229 300.2871 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1680000 WRITING COORDINATES TO DCD FILE MD.1.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: 6757.49, 0.00429489/step Wall: 6757.49, 0.00429489/step, 0.978043 hours remaining, 114.218750 MB of memory in use. ENERGY: 1680200 671.5615 1908.9808 1925.9122 104.6427 1.3589 -1079.3481 0.0000 0.0000 2700.9894 6234.0972 298.3318 3533.1078 6267.8579 302.6151 LDB: ============= START OF LOAD BALANCING ============== 6760.2 LDB: ============== END OF LOAD BALANCING =============== 6760.2 LDB: =============== DONE WITH MIGRATION ================ 6760.2 LDB: ============= START OF LOAD BALANCING ============== 6760.59 LDB: ============== END OF LOAD BALANCING =============== 6760.59 LDB: =============== DONE WITH MIGRATION ================ 6760.59 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: 6758.28, 0.00392192/step Wall: 6758.28, 0.00392192/step, 0.892892 hours remaining, 114.218750 MB of memory in use. ENERGY: 1680400 656.7403 1900.4804 1942.0672 95.0719 1.4629 -1119.2014 0.0000 0.0000 2784.1771 6260.7985 307.5201 3476.6214 6295.8231 302.9972 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: 6759.06, 0.0039088/step Wall: 6759.06, 0.0039088/step, 0.889687 hours remaining, 114.218750 MB of memory in use. ENERGY: 1680600 685.3928 1880.0063 1944.2344 110.4585 0.4005 -1064.1533 0.0000 0.0000 2644.8862 6201.2254 292.1351 3556.3392 6228.7541 301.5039 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: 6759.84, 0.00390915/step Wall: 6759.84, 0.00390915/step, 0.889549 hours remaining, 114.218750 MB of memory in use. ENERGY: 1680800 642.9976 1896.7878 1918.9570 101.6866 0.4103 -1096.4479 0.0000 0.0000 2731.6539 6196.0453 301.7188 3464.3914 6226.7433 300.9488 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: 6760.62, 0.00390398/step Wall: 6760.62, 0.00390398/step, 0.888154 hours remaining, 114.218750 MB of memory in use. ENERGY: 1681000 658.8462 1858.1867 1921.9641 108.3900 1.1350 -1093.7728 0.0000 0.0000 2700.3796 6155.1288 298.2645 3454.7492 6188.2555 300.0029 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: 6761.4, 0.00390793/step Wall: 6761.4, 0.00390793/step, 0.888837 hours remaining, 114.218750 MB of memory in use. ENERGY: 1681200 639.0602 1870.4044 1958.7369 117.9671 -0.2417 -1102.7041 0.0000 0.0000 2778.5440 6261.7668 306.8979 3483.2228 6296.9753 301.1669 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: 6762.19, 0.00390891/step Wall: 6762.19, 0.00390891/step, 0.888843 hours remaining, 114.218750 MB of memory in use. ENERGY: 1681400 665.7103 1912.4004 1961.8845 109.6671 0.2269 -1107.7317 0.0000 0.0000 2674.1436 6216.3011 295.3666 3542.1575 6247.8909 303.2217 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: 6762.97, 0.00390838/step Wall: 6762.97, 0.00390838/step, 0.888505 hours remaining, 114.218750 MB of memory in use. ENERGY: 1681600 640.2814 1872.7980 1964.2106 110.9301 1.8586 -1086.8590 0.0000 0.0000 2709.9022 6213.1219 299.3162 3503.2198 6245.0342 300.8397 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: 6763.75, 0.00390452/step Wall: 6763.75, 0.00390452/step, 0.88741 hours remaining, 114.218750 MB of memory in use. ENERGY: 1681800 670.2668 1876.4424 1953.4424 113.6377 1.2602 -1071.8628 0.0000 0.0000 2752.6275 6295.8141 304.0354 3543.1867 6326.1942 304.8476 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: 6764.53, 0.00390841/step Wall: 6764.53, 0.00390841/step, 0.888077 hours remaining, 114.218750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1682000 649.5511 1868.5314 1959.1538 115.1023 2.8495 -1044.0278 0.0000 0.0000 2726.7893 6277.9496 301.1815 3551.1603 6310.5842 304.6300 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: 6765.31, 0.00390792/step Wall: 6765.31, 0.00390792/step, 0.887749 hours remaining, 114.218750 MB of memory in use. ENERGY: 1682200 675.8985 1858.0522 1959.3697 103.7261 3.0974 -1095.1005 0.0000 0.0000 2772.9159 6277.9592 306.2763 3505.0433 6311.5460 302.1642 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: 6766.09, 0.00390803/step Wall: 6766.09, 0.00390803/step, 0.887557 hours remaining, 114.218750 MB of memory in use. ENERGY: 1682400 686.1359 1839.4826 1960.2741 103.3815 3.7762 -1079.3241 0.0000 0.0000 2748.3813 6262.1075 303.5664 3513.7262 6295.9506 303.6200 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: 6766.87, 0.003909/step Wall: 6766.87, 0.003909/step, 0.88756 hours remaining, 114.218750 MB of memory in use. ENERGY: 1682600 656.1642 1846.2485 1972.8665 102.5532 2.2846 -1071.1940 0.0000 0.0000 2738.4129 6247.3359 302.4653 3508.9229 6281.2580 304.6562 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: 6767.66, 0.00390335/step Wall: 6767.66, 0.00390335/step, 0.886061 hours remaining, 114.222656 MB of memory in use. ENERGY: 1682800 675.8806 1864.6236 1944.4766 106.5332 1.1829 -1069.0332 0.0000 0.0000 2715.3135 6238.9771 299.9139 3523.6635 6270.8058 301.4921 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: 6768.44, 0.00390923/step Wall: 6768.44, 0.00390923/step, 0.887177 hours remaining, 114.222656 MB of memory in use. ENERGY: 1683000 643.8765 1868.7669 1930.9321 107.6595 2.8604 -1097.1862 0.0000 0.0000 2752.5790 6209.4881 304.0300 3456.9092 6241.6473 301.4168 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: 6769.22, 0.00390756/step Wall: 6769.22, 0.00390756/step, 0.886582 hours remaining, 114.222656 MB of memory in use. ENERGY: 1683200 624.8718 1848.4768 1983.7933 116.6121 1.5579 -1100.8908 0.0000 0.0000 2711.7532 6186.1743 299.5207 3474.4211 6219.8733 299.6024 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: 6770, 0.00391014/step Wall: 6770, 0.00391014/step, 0.886949 hours remaining, 114.222656 MB of memory in use. ENERGY: 1683400 689.4759 1825.5916 1968.9790 114.9749 1.2811 -1109.8214 0.0000 0.0000 2698.5764 6189.0575 298.0653 3490.4811 6220.7184 298.9269 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: 6770.78, 0.00390331/step Wall: 6770.78, 0.00390331/step, 0.885185 hours remaining, 114.222656 MB of memory in use. ENERGY: 1683600 676.4597 1780.7462 2006.4708 111.8163 -0.2235 -1113.8404 0.0000 0.0000 2700.6807 6162.1097 298.2977 3461.4290 6198.3331 299.0736 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: 6771.56, 0.00390744/step Wall: 6771.56, 0.00390744/step, 0.885903 hours remaining, 114.222656 MB of memory in use. ENERGY: 1683800 655.1176 1831.6331 1959.0764 98.8836 0.7804 -1128.4220 0.0000 0.0000 2784.1309 6201.1999 307.5150 3417.0690 6234.7313 300.0068 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: 6772.34, 0.00390835/step Wall: 6772.34, 0.00390835/step, 0.885893 hours remaining, 114.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1684000 622.7005 1838.9923 2000.3403 105.6143 2.6620 -1120.5453 0.0000 0.0000 2728.9465 6178.7106 301.4197 3449.7641 6214.6188 300.3213 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: 6773.13, 0.00390794/step Wall: 6773.13, 0.00390795/step, 0.885584 hours remaining, 114.222656 MB of memory in use. ENERGY: 1684200 675.6473 1797.5236 1975.7391 115.4702 0.7716 -1084.2790 0.0000 0.0000 2715.2544 6196.1273 299.9074 3480.8729 6228.3401 299.6207 LDB: ============= START OF LOAD BALANCING ============== 6775.83 LDB: ============== END OF LOAD BALANCING =============== 6775.83 LDB: =============== DONE WITH MIGRATION ================ 6775.83 LDB: ============= START OF LOAD BALANCING ============== 6776.22 LDB: ============== END OF LOAD BALANCING =============== 6776.22 LDB: =============== DONE WITH MIGRATION ================ 6776.22 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: 6773.91, 0.0039138/step Wall: 6773.91, 0.0039138/step, 0.886693 hours remaining, 114.222656 MB of memory in use. ENERGY: 1684400 628.9260 1819.8975 1962.5855 113.0204 0.8234 -1041.2107 0.0000 0.0000 2671.9400 6155.9821 295.1232 3484.0422 6186.9204 298.5767 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: 6774.69, 0.00390522/step Wall: 6774.69, 0.00390522/step, 0.884531 hours remaining, 114.222656 MB of memory in use. ENERGY: 1684600 648.5754 1857.0766 1951.1311 87.7670 0.8129 -1087.6742 0.0000 0.0000 2686.5423 6144.2310 296.7361 3457.6888 6175.9262 296.8294 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: 6775.47, 0.00390815/step Wall: 6775.47, 0.00390815/step, 0.884979 hours remaining, 114.222656 MB of memory in use. ENERGY: 1684800 649.8393 1780.7673 1954.6536 106.8434 1.2510 -1121.9071 0.0000 0.0000 2810.1507 6181.5981 310.3890 3371.4474 6219.5360 297.8578 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: 6776.25, 0.0039074/step Wall: 6776.25, 0.0039074/step, 0.884592 hours remaining, 114.222656 MB of memory in use. ENERGY: 1685000 649.3547 1871.2737 1925.1694 106.8163 1.8749 -1057.2256 0.0000 0.0000 2730.0986 6227.3619 301.5470 3497.2634 6260.0149 298.4995 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: 6777.03, 0.0039087/step Wall: 6777.03, 0.0039087/step, 0.884669 hours remaining, 114.222656 MB of memory in use. ENERGY: 1685200 676.8529 1864.9512 1939.1784 101.0006 2.7129 -1087.0432 0.0000 0.0000 2752.1995 6249.8523 303.9881 3497.6527 6282.3022 301.6039 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: 6777.82, 0.0039038/step Wall: 6777.82, 0.0039038/step, 0.883343 hours remaining, 114.222656 MB of memory in use. ENERGY: 1685400 687.4660 1821.7123 1945.5539 110.9882 1.0323 -1085.8095 0.0000 0.0000 2807.1807 6288.1237 310.0609 3480.9430 6321.7604 304.1734 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: 6778.6, 0.00391081/step Wall: 6778.6, 0.00391081/step, 0.884712 hours remaining, 114.222656 MB of memory in use. ENERGY: 1685600 675.1169 1934.8978 1972.4554 106.8386 2.2308 -1133.6109 0.0000 0.0000 2736.4417 6294.3702 302.2476 3557.9285 6327.5272 306.7691 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: 6779.38, 0.0039074/step Wall: 6779.38, 0.0039074/step, 0.883724 hours remaining, 114.222656 MB of memory in use. ENERGY: 1685800 667.3769 1836.9816 1964.5425 108.9014 1.7610 -1087.2824 0.0000 0.0000 2745.8355 6238.1166 303.2852 3492.2811 6273.1592 304.1547 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: 6780.16, 0.00390859/step Wall: 6780.16, 0.00390859/step, 0.883777 hours remaining, 114.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1686000 645.6258 1879.6910 1945.7013 121.3155 2.1639 -1097.6315 0.0000 0.0000 2765.9067 6262.7725 305.5021 3496.8658 6296.2950 304.7595 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: 6780.94, 0.00391137/step Wall: 6780.94, 0.00391137/step, 0.884186 hours remaining, 114.222656 MB of memory in use. ENERGY: 1686200 685.4369 1816.6178 1948.9226 104.4793 3.3389 -1060.3107 0.0000 0.0000 2760.6596 6259.1443 304.9225 3498.4847 6293.9746 303.5135 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: 6781.72, 0.00390532/step Wall: 6781.72, 0.00390532/step, 0.882602 hours remaining, 114.222656 MB of memory in use. ENERGY: 1686400 625.6236 1854.6577 1906.1159 114.1501 3.1941 -1060.1645 0.0000 0.0000 2755.7173 6199.2941 304.3767 3443.5768 6231.3910 301.8999 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: 6782.51, 0.00391033/step Wall: 6782.51, 0.00391033/step, 0.883517 hours remaining, 114.222656 MB of memory in use. ENERGY: 1686600 632.1468 1821.7659 1955.8056 108.7483 1.8033 -1075.3665 0.0000 0.0000 2741.2077 6186.1111 302.7740 3444.9034 6219.5614 300.6432 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: 6783.29, 0.00391075/step Wall: 6783.29, 0.00391075/step, 0.883396 hours remaining, 114.222656 MB of memory in use. ENERGY: 1686800 665.8314 1816.3366 1941.3140 103.1796 2.2879 -1070.1322 0.0000 0.0000 2695.7252 6154.5425 297.7504 3458.8172 6187.9071 298.7379 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: 6784.07, 0.00390956/step Wall: 6784.07, 0.00390956/step, 0.882909 hours remaining, 114.222656 MB of memory in use. ENERGY: 1687000 710.7191 1774.4322 1945.3329 104.4848 1.2725 -1123.4373 0.0000 0.0000 2741.0417 6153.8461 302.7557 3412.8044 6188.7130 297.7570 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: 6784.85, 0.00390906/step Wall: 6784.85, 0.00390906/step, 0.88258 hours remaining, 114.222656 MB of memory in use. ENERGY: 1687200 652.1048 1878.0536 1941.9173 104.1575 1.6639 -1092.3911 0.0000 0.0000 2711.8043 6197.3103 299.5263 3485.5060 6231.3262 298.5090 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: 6785.63, 0.00390466/step Wall: 6785.63, 0.00390466/step, 0.881368 hours remaining, 114.222656 MB of memory in use. ENERGY: 1687400 675.9366 1824.9833 1933.1813 102.4500 1.9306 -1103.4155 0.0000 0.0000 2736.8678 6171.9341 302.2947 3435.0663 6205.4102 299.9359 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: 6786.41, 0.00390825/step Wall: 6786.41, 0.00390825/step, 0.881961 hours remaining, 114.222656 MB of memory in use. ENERGY: 1687600 652.2074 1842.5349 1929.2906 103.4305 1.6557 -1090.0475 0.0000 0.0000 2674.9395 6114.0111 295.4545 3439.0716 6145.7811 297.5112 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: 6787.2, 0.00390654/step Wall: 6787.2, 0.00390654/step, 0.881359 hours remaining, 114.222656 MB of memory in use. ENERGY: 1687800 639.8864 1817.6917 1942.9929 109.5677 2.7547 -1088.7690 0.0000 0.0000 2709.8890 6134.0135 299.3148 3424.1245 6167.9499 298.0227 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: 6787.98, 0.00391021/step Wall: 6787.98, 0.00391021/step, 0.88197 hours remaining, 114.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1688000 653.8035 1820.3710 1946.5003 121.7088 2.0345 -1083.6303 0.0000 0.0000 2710.0577 6170.8456 299.3334 3460.7878 6203.3172 298.5338 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: 6788.76, 0.00391454/step Wall: 6788.76, 0.00391454/step, 0.88273 hours remaining, 114.222656 MB of memory in use. ENERGY: 1688200 692.5825 1826.5110 1930.3096 104.8804 3.4423 -1098.7533 0.0000 0.0000 2647.1114 6106.0839 292.3808 3458.9724 6138.5364 296.6391 LDB: ============= START OF LOAD BALANCING ============== 6791.46 LDB: ============== END OF LOAD BALANCING =============== 6791.46 LDB: =============== DONE WITH MIGRATION ================ 6791.46 LDB: ============= START OF LOAD BALANCING ============== 6791.85 LDB: ============== END OF LOAD BALANCING =============== 6791.85 LDB: =============== DONE WITH MIGRATION ================ 6791.85 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: 6789.54, 0.00391707/step Wall: 6789.54, 0.00391707/step, 0.883082 hours remaining, 114.222656 MB of memory in use. ENERGY: 1688400 643.1757 1793.2488 1931.0135 111.8897 0.9193 -1097.9075 0.0000 0.0000 2716.9671 6099.3066 300.0966 3382.3395 6132.9391 295.8940 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: 6790.33, 0.00391384/step Wall: 6790.33, 0.00391384/step, 0.882136 hours remaining, 114.222656 MB of memory in use. ENERGY: 1688600 634.2648 1814.6175 1894.3354 107.4466 2.6516 -1068.5921 0.0000 0.0000 2726.2491 6110.9730 301.1218 3384.7239 6145.7034 295.2177 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: 6791.11, 0.00390862/step Wall: 6791.11, 0.00390862/step, 0.880741 hours remaining, 114.222656 MB of memory in use. ENERGY: 1688800 658.3696 1821.4755 1942.5486 114.7977 2.8589 -1122.6364 0.0000 0.0000 2718.8787 6136.2927 300.3077 3417.4140 6172.7885 298.4910 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: 6791.89, 0.00390953/step Wall: 6791.89, 0.00390953/step, 0.88073 hours remaining, 114.222656 MB of memory in use. ENERGY: 1689000 674.2391 1804.3472 1922.5125 97.1660 3.3212 -1105.0238 0.0000 0.0000 2719.8592 6116.4215 300.4160 3396.5623 6148.7898 297.3317 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: 6792.67, 0.00390392/step Wall: 6792.67, 0.00390392/step, 0.87925 hours remaining, 114.222656 MB of memory in use. ENERGY: 1689200 620.0403 1810.9403 1927.6965 97.9631 3.1973 -1072.9021 0.0000 0.0000 2735.6933 6122.6287 302.1649 3386.9354 6154.5618 295.6728 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: 6793.45, 0.00391131/step Wall: 6793.45, 0.00391131/step, 0.880696 hours remaining, 114.222656 MB of memory in use. ENERGY: 1689400 663.2500 1807.8265 1942.1941 100.0839 3.2475 -1104.4918 0.0000 0.0000 2716.1435 6128.2537 300.0056 3412.1102 6162.7579 296.7663 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: 6794.24, 0.00390828/step Wall: 6794.24, 0.00390828/step, 0.879797 hours remaining, 114.222656 MB of memory in use. ENERGY: 1689600 650.1041 1850.9104 1935.1238 100.8855 1.1830 -1130.0382 0.0000 0.0000 2696.4317 6104.6003 297.8284 3408.1685 6138.2907 297.5075 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: 6795.02, 0.00390908/step Wall: 6795.02, 0.00390908/step, 0.879759 hours remaining, 114.222656 MB of memory in use. ENERGY: 1689800 635.2267 1827.8656 1936.9645 111.1069 1.8748 -1078.9655 0.0000 0.0000 2653.5004 6087.5734 293.0865 3434.0731 6116.7115 296.7837 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: 6795.8, 0.00390342/step Wall: 6795.8, 0.00390342/step, 0.878268 hours remaining, 114.222656 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1690000 614.2622 1834.3705 1932.9696 101.1274 2.4957 -1053.3221 0.0000 0.0000 2706.0491 6137.9524 298.8907 3431.9033 6173.5297 295.6196 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1690000 WRITING COORDINATES TO DCD FILE MD.1.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: 6796.63, 0.00415647/step Wall: 6796.63, 0.00415647/step, 0.934975 hours remaining, 114.222656 MB of memory in use. ENERGY: 1690200 690.0099 1826.2175 1946.5120 106.6921 2.5031 -1080.3496 0.0000 0.0000 2682.7402 6174.3253 296.3161 3491.5851 6203.7562 298.8945 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: 6797.41, 0.00390934/step Wall: 6797.41, 0.00390934/step, 0.879167 hours remaining, 114.222656 MB of memory in use. ENERGY: 1690400 626.6163 1847.4533 1975.0424 114.6990 3.4426 -1137.2972 0.0000 0.0000 2716.6196 6146.5760 300.0582 3429.9564 6181.4923 299.6134 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: 6798.19, 0.00391536/step Wall: 6798.19, 0.00391536/step, 0.880303 hours remaining, 114.222656 MB of memory in use. ENERGY: 1690600 628.6365 1828.5902 1974.6407 109.2806 3.3512 -1088.7579 0.0000 0.0000 2720.8254 6176.5668 300.5227 3455.7414 6208.2210 298.0259 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: 6798.98, 0.00390758/step Wall: 6798.98, 0.00390758/step, 0.878336 hours remaining, 114.222656 MB of memory in use. ENERGY: 1690800 617.0691 1833.2173 1971.5399 118.3058 2.9271 -1098.2383 0.0000 0.0000 2747.6998 6192.5207 303.4911 3444.8208 6224.7650 301.1990 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: 6799.76, 0.00390224/step Wall: 6799.76, 0.00390224/step, 0.876919 hours remaining, 114.222656 MB of memory in use. ENERGY: 1691000 666.3616 1870.8171 1980.0947 103.5135 2.9855 -1104.8577 0.0000 0.0000 2689.0598 6207.9746 297.0141 3518.9148 6239.3663 301.7118 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: 6800.54, 0.00390738/step Wall: 6800.54, 0.00390738/step, 0.877858 hours remaining, 114.222656 MB of memory in use. ENERGY: 1691200 628.1855 1882.3859 1943.9787 121.8710 3.3175 -1099.0434 0.0000 0.0000 2737.6131 6218.3084 302.3770 3480.6952 6251.8305 301.7588 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: 6801.32, 0.00390892/step Wall: 6801.32, 0.00390892/step, 0.877987 hours remaining, 114.226562 MB of memory in use. ENERGY: 1691400 641.5865 1832.4178 1956.8149 113.0173 3.1801 -1087.4922 0.0000 0.0000 2754.9040 6214.4283 304.2868 3459.5243 6251.7013 302.8593 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: 6802.1, 0.00390593/step Wall: 6802.1, 0.00390593/step, 0.877098 hours remaining, 114.226562 MB of memory in use. ENERGY: 1691600 651.2377 1828.5560 1948.3637 112.1829 1.6234 -1087.2653 0.0000 0.0000 2761.4347 6216.1332 305.0082 3454.6984 6251.3375 301.4764 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: 6802.88, 0.00390177/step Wall: 6802.88, 0.00390177/step, 0.875946 hours remaining, 114.226562 MB of memory in use. ENERGY: 1691800 675.2395 1760.4893 1948.6035 119.3823 0.4131 -1024.4833 0.0000 0.0000 2724.3783 6204.0227 300.9152 3479.6444 6236.7676 302.7136 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: 6803.66, 0.00390481/step Wall: 6803.66, 0.00390481/step, 0.876412 hours remaining, 114.226562 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1692000 636.5125 1896.3555 1991.3618 116.5709 0.8566 -1115.3245 0.0000 0.0000 2689.2150 6215.5478 297.0313 3526.3328 6247.5779 301.3498 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: 6804.44, 0.00390633/step Wall: 6804.44, 0.00390632/step, 0.876535 hours remaining, 114.226562 MB of memory in use. ENERGY: 1692200 664.4258 1868.4684 1956.7387 100.2022 1.3770 -1065.0742 0.0000 0.0000 2700.9039 6227.0419 298.3224 3526.1380 6258.2206 301.3873 LDB: ============= START OF LOAD BALANCING ============== 6807.14 LDB: ============== END OF LOAD BALANCING =============== 6807.14 LDB: =============== DONE WITH MIGRATION ================ 6807.14 LDB: ============= START OF LOAD BALANCING ============== 6807.53 LDB: ============== END OF LOAD BALANCING =============== 6807.53 LDB: =============== DONE WITH MIGRATION ================ 6807.53 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: 6805.23, 0.00390961/step Wall: 6805.23, 0.00390962/step, 0.877057 hours remaining, 114.226562 MB of memory in use. ENERGY: 1692400 690.5133 1853.7758 1931.0972 104.7105 0.9029 -1095.8640 0.0000 0.0000 2665.2846 6150.4203 294.3881 3485.1357 6183.0960 297.6036 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: 6806.01, 0.00390776/step Wall: 6806.01, 0.00390776/step, 0.876423 hours remaining, 114.226562 MB of memory in use. ENERGY: 1692600 693.7288 1820.7985 1941.5985 110.1115 2.4923 -1118.6640 0.0000 0.0000 2686.0657 6136.1314 296.6834 3450.0657 6171.4994 298.9375 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: 6806.79, 0.00390342/step Wall: 6806.79, 0.00390342/step, 0.875234 hours remaining, 114.226562 MB of memory in use. ENERGY: 1692800 655.9742 1844.4554 1948.1435 104.4183 1.3708 -1107.7208 0.0000 0.0000 2708.1198 6154.7613 299.1194 3446.6415 6190.6415 299.1602 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: 6807.57, 0.00391094/step Wall: 6807.57, 0.00391094/step, 0.876702 hours remaining, 114.226562 MB of memory in use. ENERGY: 1693000 640.6164 1808.7385 1937.2052 114.2960 0.7227 -1060.6287 0.0000 0.0000 2732.8923 6173.8425 301.8556 3440.9502 6210.1418 297.7190 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: 6808.35, 0.00391188/step Wall: 6808.35, 0.00391188/step, 0.876695 hours remaining, 114.230469 MB of memory in use. ENERGY: 1693200 652.5421 1864.9196 1918.5103 106.6820 2.7751 -1113.8341 0.0000 0.0000 2739.6917 6171.2868 302.6066 3431.5950 6206.3169 298.5617 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: 6809.13, 0.00391035/step Wall: 6809.13, 0.00391035/step, 0.876136 hours remaining, 114.230469 MB of memory in use. ENERGY: 1693400 664.6107 1863.1103 1952.4645 109.9831 0.9206 -1105.4661 0.0000 0.0000 2681.7695 6167.3925 296.2089 3485.6231 6198.1355 297.7335 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: 6809.92, 0.00390867/step Wall: 6809.92, 0.00390867/step, 0.875542 hours remaining, 114.230469 MB of memory in use. ENERGY: 1693600 638.1439 1843.5431 1952.0908 113.8521 1.9524 -1101.0415 0.0000 0.0000 2745.7219 6194.2627 303.2726 3448.5408 6228.2814 300.4481 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: 6810.7, 0.00390526/step Wall: 6810.7, 0.00390526/step, 0.874561 hours remaining, 114.230469 MB of memory in use. ENERGY: 1693800 654.5993 1837.8957 1956.0415 113.7220 2.2394 -1067.4787 0.0000 0.0000 2709.3210 6206.3403 299.2521 3497.0193 6240.0087 300.9444 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: 6811.48, 0.00391206/step Wall: 6811.48, 0.00391206/step, 0.875867 hours remaining, 114.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1694000 659.0572 1816.4223 1956.2942 117.9725 2.6815 -1064.4573 0.0000 0.0000 2697.2488 6185.2191 297.9186 3487.9703 6217.3369 301.0360 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: 6812.26, 0.0039064/step Wall: 6812.26, 0.0039064/step, 0.874383 hours remaining, 114.230469 MB of memory in use. ENERGY: 1694200 635.7024 1854.0844 1960.5849 100.1501 2.8975 -1092.9367 0.0000 0.0000 2705.6488 6166.1314 298.8465 3460.4826 6200.1469 298.0843 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: 6813.04, 0.00390647/step Wall: 6813.04, 0.00390647/step, 0.874181 hours remaining, 114.230469 MB of memory in use. ENERGY: 1694400 680.0658 1830.7397 1959.1343 110.1161 1.6905 -1135.7371 0.0000 0.0000 2685.7670 6131.7763 296.6504 3446.0093 6163.3098 298.0127 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: 6813.82, 0.00390149/step Wall: 6813.82, 0.00390149/step, 0.872851 hours remaining, 114.230469 MB of memory in use. ENERGY: 1694600 686.4309 1814.3670 1941.3581 111.7974 3.0727 -1121.8233 0.0000 0.0000 2667.0905 6102.2932 294.5876 3435.2027 6133.3171 296.7752 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: 6814.6, 0.00390819/step Wall: 6814.6, 0.00390819/step, 0.874132 hours remaining, 114.230469 MB of memory in use. ENERGY: 1694800 676.3860 1819.2813 1941.9409 122.7050 2.9421 -1108.0853 0.0000 0.0000 2661.4488 6116.6188 293.9644 3455.1700 6148.0663 294.8620 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: 6815.39, 0.00390744/step Wall: 6815.39, 0.00390744/step, 0.873747 hours remaining, 114.230469 MB of memory in use. ENERGY: 1695000 663.9844 1841.4468 1932.8764 111.7588 3.0331 -1073.4922 0.0000 0.0000 2672.4184 6152.0257 295.1761 3479.6073 6181.7995 297.2225 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: 6816.17, 0.00390727/step Wall: 6816.17, 0.00390727/step, 0.873492 hours remaining, 114.230469 MB of memory in use. ENERGY: 1695200 725.8604 1835.3531 1941.1191 111.3816 0.6923 -1102.9602 0.0000 0.0000 2678.7045 6190.1507 295.8704 3511.4462 6221.2239 298.5194 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: 6816.95, 0.00390705/step Wall: 6816.95, 0.00390705/step, 0.873227 hours remaining, 114.230469 MB of memory in use. ENERGY: 1695400 668.5316 1913.0041 1964.8418 101.2904 1.4742 -1114.5923 0.0000 0.0000 2731.6750 6266.2249 301.7211 3534.5499 6299.6423 303.7943 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: 6817.73, 0.0039019/step Wall: 6817.73, 0.0039019/step, 0.871857 hours remaining, 114.230469 MB of memory in use. ENERGY: 1695600 676.7717 1917.9046 1945.2079 107.5347 1.7846 -1109.0534 0.0000 0.0000 2768.9121 6309.0622 305.8341 3540.1501 6340.0508 305.3074 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: 6818.51, 0.00390756/step Wall: 6818.51, 0.00390756/step, 0.872904 hours remaining, 114.230469 MB of memory in use. ENERGY: 1695800 679.6263 1873.4728 1942.7793 108.7715 1.8789 -1086.0962 0.0000 0.0000 2766.0629 6286.4956 305.5194 3520.4326 6319.0952 305.6228 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: 6819.29, 0.00390618/step Wall: 6819.29, 0.00390618/step, 0.87238 hours remaining, 114.230469 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1696000 650.8156 1865.0307 1932.2774 106.8799 2.2973 -1100.9365 0.0000 0.0000 2775.5036 6231.8680 306.5621 3456.3644 6264.9256 304.5636 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: 6820.07, 0.00390686/step Wall: 6820.07, 0.00390686/step, 0.872314 hours remaining, 114.230469 MB of memory in use. ENERGY: 1696200 689.9922 1863.0796 1920.5659 105.4913 1.3181 -1075.1696 0.0000 0.0000 2749.0086 6254.2862 303.6357 3505.2776 6285.2888 302.3090 LDB: ============= START OF LOAD BALANCING ============== 6822.77 LDB: ============== END OF LOAD BALANCING =============== 6822.77 LDB: =============== DONE WITH MIGRATION ================ 6822.77 LDB: ============= START OF LOAD BALANCING ============== 6823.16 LDB: ============== END OF LOAD BALANCING =============== 6823.16 LDB: =============== DONE WITH MIGRATION ================ 6823.16 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: 6820.85, 0.00390644/step Wall: 6820.85, 0.00390644/step, 0.872004 hours remaining, 114.390625 MB of memory in use. ENERGY: 1696400 691.6820 1875.8620 1956.7912 107.6625 1.3910 -1086.5041 0.0000 0.0000 2709.6394 6256.5239 299.2872 3546.8845 6288.5835 304.2390 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: 6821.64, 0.00391258/step Wall: 6821.64, 0.00391258/step, 0.873156 hours remaining, 114.390625 MB of memory in use. ENERGY: 1696600 662.8025 1849.4530 1990.1602 121.3867 1.3622 -1111.7114 0.0000 0.0000 2718.3609 6231.8140 300.2505 3513.4532 6262.2646 304.7949 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: 6822.42, 0.00390619/step Wall: 6822.42, 0.00390619/step, 0.871514 hours remaining, 114.390625 MB of memory in use. ENERGY: 1696800 680.9532 1856.2110 1944.1774 113.7055 0.6532 -1103.9067 0.0000 0.0000 2728.8690 6220.6626 301.4112 3491.7935 6251.5358 300.6721 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: 6823.2, 0.00390726/step Wall: 6823.2, 0.00390726/step, 0.871536 hours remaining, 114.390625 MB of memory in use. ENERGY: 1697000 675.9108 1856.4631 1965.3618 112.4358 1.2289 -1111.7048 0.0000 0.0000 2676.3865 6176.0820 295.6143 3499.6955 6206.7181 299.6142 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: 6823.98, 0.003907/step Wall: 6823.98, 0.003907/step, 0.871262 hours remaining, 114.390625 MB of memory in use. ENERGY: 1697200 692.4754 1871.3018 1969.7770 113.6019 1.5930 -1105.4427 0.0000 0.0000 2682.8410 6226.1473 296.3273 3543.3064 6258.0285 300.5944 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: 6824.76, 0.00390061/step Wall: 6824.76, 0.00390061/step, 0.86962 hours remaining, 114.390625 MB of memory in use. ENERGY: 1697400 675.6080 1862.1844 1951.6483 103.6127 1.5103 -1084.0854 0.0000 0.0000 2766.3377 6276.8160 305.5497 3510.4784 6310.9698 304.8703 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: 6825.54, 0.00390633/step Wall: 6825.54, 0.00390633/step, 0.870676 hours remaining, 114.390625 MB of memory in use. ENERGY: 1697600 688.7680 1831.0676 1934.0068 111.5965 1.5773 -1095.0695 0.0000 0.0000 2756.9824 6228.9292 304.5164 3471.9467 6262.5162 303.6479 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: 6826.32, 0.00390699/step Wall: 6826.32, 0.00390699/step, 0.870607 hours remaining, 114.390625 MB of memory in use. ENERGY: 1697800 649.2010 1840.1545 1956.4862 110.8268 1.3487 -1083.2271 0.0000 0.0000 2767.5141 6242.3042 305.6796 3474.7901 6279.7415 302.2886 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: 6827.1, 0.0039077/step Wall: 6827.1, 0.0039077/step, 0.87055 hours remaining, 114.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1698000 694.4544 1834.6743 1947.6418 105.6428 2.1590 -1074.8815 0.0000 0.0000 2721.4077 6231.0986 300.5871 3509.6909 6265.0583 302.6025 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: 6827.88, 0.00390102/step Wall: 6827.88, 0.00390102/step, 0.868844 hours remaining, 114.390625 MB of memory in use. ENERGY: 1698200 677.1696 1876.9946 1925.3597 113.9756 1.4545 -1074.6791 0.0000 0.0000 2694.4910 6214.7659 297.6140 3520.2749 6248.3137 301.5761 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: 6828.67, 0.0039082/step Wall: 6828.67, 0.0039082/step, 0.870225 hours remaining, 114.390625 MB of memory in use. ENERGY: 1698400 681.2843 1834.7593 1941.8371 109.8550 2.0768 -1109.3187 0.0000 0.0000 2774.7223 6235.2161 306.4758 3460.4939 6268.9969 304.1111 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: 6829.45, 0.00390804/step Wall: 6829.45, 0.00390804/step, 0.869973 hours remaining, 114.390625 MB of memory in use. ENERGY: 1698600 676.2922 1892.8872 1927.6948 104.8691 2.1404 -1069.2288 0.0000 0.0000 2634.6224 6169.2774 291.0014 3534.6549 6200.8772 299.7553 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: 6830.23, 0.00390828/step Wall: 6830.23, 0.00390828/step, 0.869811 hours remaining, 114.390625 MB of memory in use. ENERGY: 1698800 673.1368 1828.7299 1940.5084 94.0861 1.4904 -1088.5449 0.0000 0.0000 2731.3110 6180.7175 301.6809 3449.4065 6215.5215 299.0659 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: 6831.01, 0.00390934/step Wall: 6831.01, 0.00390934/step, 0.869827 hours remaining, 114.390625 MB of memory in use. ENERGY: 1699000 666.8437 1792.2750 1979.3294 108.0022 1.8707 -1073.8771 0.0000 0.0000 2702.4419 6176.8858 298.4922 3474.4439 6208.0527 300.5732 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: 6831.79, 0.00390159/step Wall: 6831.79, 0.00390159/step, 0.867886 hours remaining, 114.390625 MB of memory in use. ENERGY: 1699200 669.6745 1839.8242 1979.0780 117.6942 2.4308 -1102.6724 0.0000 0.0000 2716.1103 6222.1395 300.0019 3506.0292 6259.7225 301.6682 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: 6832.57, 0.00390862/step Wall: 6832.57, 0.00390862/step, 0.869234 hours remaining, 114.390625 MB of memory in use. ENERGY: 1699400 645.6641 1843.3602 1973.4774 109.4466 3.1140 -1117.0058 0.0000 0.0000 2749.9086 6207.9649 303.7351 3458.0563 6244.8080 301.9026 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: 6833.36, 0.0039085/step Wall: 6833.36, 0.0039085/step, 0.86899 hours remaining, 114.390625 MB of memory in use. ENERGY: 1699600 652.1696 1832.3411 1948.9872 116.8065 2.1325 -1115.5375 0.0000 0.0000 2743.0071 6179.9064 302.9728 3436.8993 6214.0498 301.0787 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: 6834.14, 0.00390712/step Wall: 6834.14, 0.00390712/step, 0.868467 hours remaining, 114.390625 MB of memory in use. ENERGY: 1699800 652.0670 1828.5403 1947.2189 110.0937 3.9519 -1099.8565 0.0000 0.0000 2781.8474 6223.8627 307.2628 3442.0153 6256.9133 300.1718 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: 6834.92, 0.003901/step Wall: 6834.92, 0.003901/step, 0.86689 hours remaining, 114.390625 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1700000 704.1038 1869.9895 1949.9421 111.9208 3.4668 -1127.0777 0.0000 0.0000 2692.7248 6205.0701 297.4190 3512.3452 6237.3468 300.2334 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1700000 WRITING COORDINATES TO DCD FILE MD.1.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: 6835.73, 0.00407043/step Wall: 6835.73, 0.00407043/step, 0.904314 hours remaining, 114.390625 MB of memory in use. ENERGY: 1700200 695.8558 1798.8338 1973.7074 117.9346 3.8836 -1078.0252 0.0000 0.0000 2699.1890 6211.3789 298.1329 3512.1900 6246.0099 300.2083 LDB: ============= START OF LOAD BALANCING ============== 6838.43 LDB: ============== END OF LOAD BALANCING =============== 6838.43 LDB: =============== DONE WITH MIGRATION ================ 6838.43 LDB: ============= START OF LOAD BALANCING ============== 6838.82 LDB: ============== END OF LOAD BALANCING =============== 6838.82 LDB: =============== DONE WITH MIGRATION ================ 6838.82 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: 6836.51, 0.00391084/step Wall: 6836.51, 0.00391084/step, 0.868642 hours remaining, 114.394531 MB of memory in use. ENERGY: 1700400 650.7428 1852.5604 1948.3078 104.4732 2.6663 -1079.7185 0.0000 0.0000 2712.6446 6191.6766 299.6192 3479.0320 6225.7516 300.9608 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: 6837.29, 0.00390538/step Wall: 6837.29, 0.00390538/step, 0.86721 hours remaining, 114.394531 MB of memory in use. ENERGY: 1700600 667.0747 1752.2800 1965.7711 112.1782 2.3835 -1105.1084 0.0000 0.0000 2777.1150 6171.6943 306.7401 3394.5793 6206.8534 299.6448 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: 6838.08, 0.00391111/step Wall: 6838.08, 0.00391111/step, 0.868268 hours remaining, 114.394531 MB of memory in use. ENERGY: 1700800 653.4991 1862.7502 1957.9327 107.1639 1.4581 -1137.6143 0.0000 0.0000 2710.3609 6155.5505 299.3669 3445.1896 6189.2517 298.6026 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: 6838.86, 0.00390059/step Wall: 6838.86, 0.00390059/step, 0.865715 hours remaining, 114.394531 MB of memory in use. ENERGY: 1701000 661.9804 1893.2433 1952.7945 108.1451 3.9822 -1095.7693 0.0000 0.0000 2670.9661 6195.3424 295.0156 3524.3764 6226.2313 299.8386 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: 6839.64, 0.00390497/step Wall: 6839.64, 0.00390497/step, 0.866469 hours remaining, 114.394531 MB of memory in use. ENERGY: 1701200 633.7741 1800.3275 1962.3428 114.6420 4.4288 -1098.7139 0.0000 0.0000 2767.0523 6183.8536 305.6286 3416.8013 6217.8997 300.0014 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: 6840.42, 0.00390471/step Wall: 6840.42, 0.00390471/step, 0.866194 hours remaining, 114.394531 MB of memory in use. ENERGY: 1701400 690.5468 1835.3399 1951.7993 101.3812 2.7227 -1090.6733 0.0000 0.0000 2743.8439 6234.9604 303.0652 3491.1166 6267.7571 300.0181 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: 6841.2, 0.00390428/step Wall: 6841.2, 0.00390428/step, 0.865882 hours remaining, 114.394531 MB of memory in use. ENERGY: 1701600 649.0649 1848.1443 1967.7752 108.8305 2.5885 -1088.2352 0.0000 0.0000 2710.2385 6198.4067 299.3534 3488.1682 6232.1704 301.3554 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: 6841.98, 0.00390527/step Wall: 6841.98, 0.00390527/step, 0.865884 hours remaining, 114.394531 MB of memory in use. ENERGY: 1701800 689.0817 1859.0011 1982.4028 108.4940 1.6786 -1076.2838 0.0000 0.0000 2620.1550 6184.5294 289.4034 3564.3744 6215.0250 300.3310 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: 6842.76, 0.00390036/step Wall: 6842.76, 0.00390036/step, 0.864579 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: 1702000 666.7607 1798.6403 1981.2644 109.0855 2.2887 -1115.7227 0.0000 0.0000 2804.2449 6246.5617 309.7367 3442.3168 6280.2040 300.8440 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: 6843.54, 0.00390631/step Wall: 6843.54, 0.00390631/step, 0.865683 hours remaining, 114.394531 MB of memory in use. ENERGY: 1702200 634.6344 1900.7613 1997.4502 99.1146 2.0985 -1133.0601 0.0000 0.0000 2684.9469 6185.9458 296.5599 3500.9989 6216.6755 301.1533 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: 6844.32, 0.00390585/step Wall: 6844.32, 0.00390585/step, 0.865363 hours remaining, 114.394531 MB of memory in use. ENERGY: 1702400 660.9169 1838.1473 1975.5207 96.7311 2.0263 -1083.4691 0.0000 0.0000 2742.3993 6232.2726 302.9056 3489.8732 6264.8135 299.8768 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: 6845.1, 0.00390741/step Wall: 6845.1, 0.00390741/step, 0.865491 hours remaining, 114.394531 MB of memory in use. ENERGY: 1702600 659.3841 1810.3117 1976.3438 102.2189 1.5311 -1069.3553 0.0000 0.0000 2695.8982 6176.3324 297.7695 3480.4343 6210.1632 298.7806 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: 6845.88, 0.00390142/step Wall: 6845.88, 0.00390142/step, 0.863948 hours remaining, 114.394531 MB of memory in use. ENERGY: 1702800 678.8278 1798.5032 1940.4432 105.1075 2.3581 -1065.4578 0.0000 0.0000 2666.7652 6126.5471 294.5516 3459.7819 6157.0656 297.4536 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: 6846.67, 0.00391085/step Wall: 6846.67, 0.00391085/step, 0.865818 hours remaining, 114.394531 MB of memory in use. ENERGY: 1703000 635.7039 1847.1354 1946.1192 117.0556 3.7837 -1095.6808 0.0000 0.0000 2707.8061 6161.9231 299.0847 3454.1170 6191.5173 297.0794 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: 6847.45, 0.00391068/step Wall: 6847.45, 0.00391068/step, 0.865565 hours remaining, 114.394531 MB of memory in use. ENERGY: 1703200 671.3984 1877.9111 1953.7248 112.7850 2.5915 -1110.4804 0.0000 0.0000 2699.5765 6207.5070 298.1757 3507.9304 6238.6822 299.5820 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: 6848.23, 0.00390952/step Wall: 6848.23, 0.00390952/step, 0.865089 hours remaining, 114.394531 MB of memory in use. ENERGY: 1703400 670.6925 1820.4827 1992.4716 116.1346 2.4181 -1120.6378 0.0000 0.0000 2705.0972 6186.6588 298.7855 3481.5616 6219.8846 301.6631 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: 6849.01, 0.00391516/step Wall: 6849.01, 0.00391516/step, 0.866121 hours remaining, 114.394531 MB of memory in use. ENERGY: 1703600 702.4879 1849.2715 1943.3092 104.8228 1.7192 -1122.6158 0.0000 0.0000 2669.3111 6148.3059 294.8328 3478.9948 6181.9364 299.7042 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: 6849.8, 0.00390923/step Wall: 6849.8, 0.00390923/step, 0.86459 hours remaining, 114.394531 MB of memory in use. ENERGY: 1703800 653.1369 1877.6779 1969.3003 114.8260 1.2082 -1109.1021 0.0000 0.0000 2664.1211 6171.1682 294.2596 3507.0470 6206.0355 297.3801 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: 6850.58, 0.00391251/step Wall: 6850.58, 0.00391251/step, 0.8651 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: 1704000 687.6021 1832.1493 1984.2299 107.0023 2.9356 -1103.7457 0.0000 0.0000 2672.6408 6182.8144 295.2006 3510.1736 6219.4173 299.3103 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: 6851.36, 0.00390941/step Wall: 6851.36, 0.00390941/step, 0.864197 hours remaining, 114.394531 MB of memory in use. ENERGY: 1704200 665.4399 1828.5551 1934.1078 112.5898 2.1869 -1093.0648 0.0000 0.0000 2711.5163 6161.3309 299.4945 3449.8146 6194.8082 298.8856 LDB: ============= START OF LOAD BALANCING ============== 6854.06 LDB: ============== END OF LOAD BALANCING =============== 6854.06 LDB: =============== DONE WITH MIGRATION ================ 6854.06 LDB: ============= START OF LOAD BALANCING ============== 6854.45 LDB: ============== END OF LOAD BALANCING =============== 6854.45 LDB: =============== DONE WITH MIGRATION ================ 6854.45 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: 6852.14, 0.0039143/step Wall: 6852.14, 0.0039143/step, 0.865059 hours remaining, 114.394531 MB of memory in use. ENERGY: 1704400 687.2835 1824.5865 1960.9390 100.4337 3.0439 -1100.9544 0.0000 0.0000 2637.1975 6112.5297 291.2858 3475.3323 6147.4157 296.6439 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: 6852.92, 0.00390399/step Wall: 6852.92, 0.00390399/step, 0.862564 hours remaining, 114.394531 MB of memory in use. ENERGY: 1704600 640.9431 1828.7529 1941.1593 104.9010 2.8894 -1078.6698 0.0000 0.0000 2685.6560 6125.6319 296.6382 3439.9759 6155.4987 293.7835 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: 6853.71, 0.00390971/step Wall: 6853.71, 0.00390971/step, 0.863611 hours remaining, 114.394531 MB of memory in use. ENERGY: 1704800 658.8810 1834.6936 1946.7174 110.6000 1.4444 -1079.0051 0.0000 0.0000 2682.1811 6155.5124 296.2544 3473.3313 6189.3752 297.1504 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: 6854.49, 0.00390952/step Wall: 6854.49, 0.00390952/step, 0.863351 hours remaining, 114.394531 MB of memory in use. ENERGY: 1705000 645.6464 1852.1262 1956.5753 113.4484 3.7775 -1098.8935 0.0000 0.0000 2701.5175 6174.1976 298.3901 3472.6801 6206.1170 297.8578 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: 6855.27, 0.00391071/step Wall: 6855.27, 0.00391071/step, 0.863398 hours remaining, 114.394531 MB of memory in use. ENERGY: 1705200 667.4506 1833.8189 1999.7026 108.9860 3.7187 -1096.9426 0.0000 0.0000 2636.4986 6153.2328 291.2086 3516.7342 6185.9993 299.2098 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: 6856.05, 0.00390867/step Wall: 6856.05, 0.00390866/step, 0.862728 hours remaining, 114.394531 MB of memory in use. ENERGY: 1705400 670.7442 1782.9324 1992.1986 105.3531 2.0432 -1104.0970 0.0000 0.0000 2690.7653 6139.9396 297.2025 3449.1744 6174.5856 297.0812 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: 6856.83, 0.00390362/step Wall: 6856.83, 0.00390363/step, 0.8614 hours remaining, 114.394531 MB of memory in use. ENERGY: 1705600 653.4125 1813.0832 1988.1695 108.4491 2.1335 -1139.2501 0.0000 0.0000 2738.9623 6164.9600 302.5260 3425.9978 6194.9220 297.8819 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: 6857.61, 0.00391075/step Wall: 6857.61, 0.00391075/step, 0.862755 hours remaining, 114.394531 MB of memory in use. ENERGY: 1705800 644.4240 1824.1038 1972.4990 105.0613 1.2547 -1095.8030 0.0000 0.0000 2678.3799 6129.9197 295.8345 3451.5397 6165.2816 298.9941 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: 6858.4, 0.00391233/step Wall: 6858.4, 0.00391233/step, 0.862887 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: 1706000 661.9060 1855.5407 1967.0054 119.4732 1.8933 -1106.7327 0.0000 0.0000 2692.4025 6191.4884 297.3834 3499.0859 6224.6918 298.4023 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: 6859.18, 0.00391055/step Wall: 6859.18, 0.00391055/step, 0.862275 hours remaining, 114.394531 MB of memory in use. ENERGY: 1706200 659.4098 1830.5518 1954.8553 113.3795 1.3960 -1103.7775 0.0000 0.0000 2726.5256 6182.3404 301.1523 3455.8148 6214.9047 299.9424 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: 6859.96, 0.00390489/step Wall: 6859.96, 0.00390489/step, 0.86081 hours remaining, 114.394531 MB of memory in use. ENERGY: 1706400 672.0894 1834.2148 1949.5421 100.9417 1.6433 -1084.2656 0.0000 0.0000 2674.6754 6148.8411 295.4253 3474.1657 6181.0643 298.2557 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: 6860.74, 0.00391103/step Wall: 6860.74, 0.00391103/step, 0.861948 hours remaining, 114.394531 MB of memory in use. ENERGY: 1706600 673.2669 1826.9804 1949.9089 112.7811 2.6367 -1079.4641 0.0000 0.0000 2669.4926 6155.6026 294.8529 3486.1100 6189.6917 298.6081 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: 6861.52, 0.00391181/step Wall: 6861.52, 0.00391181/step, 0.861902 hours remaining, 114.394531 MB of memory in use. ENERGY: 1706800 665.0762 1834.2245 1963.9017 104.9314 2.2593 -1086.8177 0.0000 0.0000 2661.8932 6145.4685 294.0135 3483.5754 6175.9978 298.9960 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: 6862.31, 0.0039104/step Wall: 6862.31, 0.0039104/step, 0.861374 hours remaining, 114.394531 MB of memory in use. ENERGY: 1707000 648.0619 1865.5512 1969.4537 107.3768 2.9600 -1085.3707 0.0000 0.0000 2638.0560 6146.0890 291.3806 3508.0330 6178.2344 296.2054 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: 6863.09, 0.00391121/step Wall: 6863.09, 0.00391121/step, 0.861335 hours remaining, 114.394531 MB of memory in use. ENERGY: 1707200 631.2822 1854.5128 1962.4582 98.5438 2.8328 -1105.1066 0.0000 0.0000 2683.8220 6128.3450 296.4356 3444.5230 6159.1676 295.8552 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: 6863.87, 0.00390569/step Wall: 6863.87, 0.00390569/step, 0.859903 hours remaining, 114.394531 MB of memory in use. ENERGY: 1707400 665.6611 1804.0074 1937.8976 103.3458 2.3487 -1074.4912 0.0000 0.0000 2735.3390 6174.1084 302.1258 3438.7694 6205.0277 297.3184 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: 6864.65, 0.00391068/step Wall: 6864.65, 0.00391068/step, 0.860783 hours remaining, 114.394531 MB of memory in use. ENERGY: 1707600 659.3004 1830.3527 1978.5376 111.6995 3.6150 -1092.5539 0.0000 0.0000 2722.6981 6213.6494 300.7296 3490.9514 6247.8122 300.6503 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: 6865.44, 0.00393738/step Wall: 6865.44, 0.00393738/step, 0.866441 hours remaining, 114.664062 MB of memory in use. ENERGY: 1707800 659.3284 1839.8113 1983.2647 107.3597 2.7516 -1099.7923 0.0000 0.0000 2738.4908 6231.2142 302.4739 3492.7234 6268.9118 300.6718 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: 6866.22, 0.00390849/step Wall: 6866.22, 0.00390849/step, 0.859867 hours remaining, 114.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1708000 636.8039 1891.6884 1951.5458 110.9489 2.5428 -1101.9319 0.0000 0.0000 2713.3089 6204.9066 299.6925 3491.5977 6237.9355 299.5505 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: 6867, 0.00390824/step Wall: 6867, 0.00390824/step, 0.859596 hours remaining, 114.664062 MB of memory in use. ENERGY: 1708200 670.0138 1854.2791 1970.0789 112.4447 4.0831 -1081.7679 0.0000 0.0000 2733.7016 6262.8332 301.9450 3529.1317 6296.9412 300.9683 LDB: ============= START OF LOAD BALANCING ============== 6869.7 LDB: ============== END OF LOAD BALANCING =============== 6869.7 LDB: =============== DONE WITH MIGRATION ================ 6869.7 LDB: ============= START OF LOAD BALANCING ============== 6870.1 LDB: ============== END OF LOAD BALANCING =============== 6870.1 LDB: =============== DONE WITH MIGRATION ================ 6870.1 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: 6867.79, 0.00391608/step Wall: 6867.79, 0.00391608/step, 0.861101 hours remaining, 114.664062 MB of memory in use. ENERGY: 1708400 669.1668 1891.5784 1974.1841 99.3735 2.7479 -1085.1253 0.0000 0.0000 2684.5949 6236.5204 296.5210 3551.9255 6269.0665 302.4556 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: 6868.57, 0.00391478/step Wall: 6868.57, 0.00391478/step, 0.860599 hours remaining, 114.664062 MB of memory in use. ENERGY: 1708600 652.6754 1824.4863 1969.7069 111.4023 2.5144 -1133.0945 0.0000 0.0000 2775.6650 6203.3557 306.5799 3427.6907 6238.3233 300.1823 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: 6869.35, 0.00391272/step Wall: 6869.35, 0.00391272/step, 0.859929 hours remaining, 114.664062 MB of memory in use. ENERGY: 1708800 645.1318 1892.8513 1986.6511 110.6400 4.1169 -1131.8225 0.0000 0.0000 2740.4418 6248.0103 302.6894 3507.5685 6283.4951 302.2799 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: 6870.13, 0.00391213/step Wall: 6870.13, 0.00391213/step, 0.859582 hours remaining, 114.664062 MB of memory in use. ENERGY: 1709000 658.7395 1874.0724 1994.1130 120.9110 1.5721 -1118.3159 0.0000 0.0000 2660.8275 6191.9196 293.8958 3531.0921 6224.7637 300.5272 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: 6870.92, 0.00390799/step Wall: 6870.92, 0.00390799/step, 0.858454 hours remaining, 114.664062 MB of memory in use. ENERGY: 1709200 673.5017 1819.9127 1969.6489 103.1041 2.3108 -1090.7621 0.0000 0.0000 2713.5159 6191.2320 299.7154 3477.7160 6221.2812 300.0995 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: 6871.7, 0.00391333/step Wall: 6871.7, 0.00391332/step, 0.859408 hours remaining, 114.664062 MB of memory in use. ENERGY: 1709400 667.9066 1875.2844 1976.1361 107.4717 3.7142 -1134.3492 0.0000 0.0000 2692.2913 6188.4552 297.3711 3496.1638 6222.9038 298.7166 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: 6872.48, 0.00391428/step Wall: 6872.48, 0.00391429/step, 0.859404 hours remaining, 114.664062 MB of memory in use. ENERGY: 1709600 682.8102 1848.1045 1962.8248 105.1239 3.4217 -1065.9879 0.0000 0.0000 2713.3494 6249.6465 299.6970 3536.2971 6281.5009 301.2534 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: 6873.26, 0.00391284/step Wall: 6873.26, 0.00391284/step, 0.858867 hours remaining, 114.664062 MB of memory in use. ENERGY: 1709800 653.3238 1884.5723 1974.7552 114.3320 2.4592 -1083.9208 0.0000 0.0000 2756.0037 6301.5253 304.4083 3545.5216 6333.7315 304.1038 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: 6874.05, 0.00391247/step Wall: 6874.05, 0.00391247/step, 0.85857 hours remaining, 114.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1710000 664.4555 1838.0288 1946.6543 106.9241 3.5742 -1071.3530 0.0000 0.0000 2821.2107 6309.4946 311.6106 3488.2838 6345.1183 306.5765 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1710000 WRITING COORDINATES TO DCD FILE MD.1.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: 6874.88, 0.00416353/step Wall: 6874.88, 0.00416353/step, 0.913432 hours remaining, 114.664062 MB of memory in use. ENERGY: 1710200 695.0773 1866.7792 1958.7709 111.3575 2.5544 -1140.6751 0.0000 0.0000 2775.4176 6269.2817 306.5526 3493.8642 6303.3710 304.1311 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: 6875.66, 0.00391192/step Wall: 6875.66, 0.00391192/step, 0.858014 hours remaining, 114.664062 MB of memory in use. ENERGY: 1710400 708.5265 1844.5057 1949.0690 113.4352 2.7883 -1075.7646 0.0000 0.0000 2700.7743 6243.3343 298.3080 3542.5600 6273.9363 303.5607 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: 6876.44, 0.00391054/step Wall: 6876.44, 0.00391054/step, 0.857495 hours remaining, 114.664062 MB of memory in use. ENERGY: 1710600 650.6677 1896.2968 1979.2572 104.7459 2.5982 -1130.2652 0.0000 0.0000 2688.3876 6191.6882 296.9399 3503.3007 6226.3037 299.9592 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: 6877.23, 0.00390775/step Wall: 6877.23, 0.00390775/step, 0.856667 hours remaining, 114.664062 MB of memory in use. ENERGY: 1710800 647.3771 1847.2526 1938.4814 99.9014 3.7606 -1077.0200 0.0000 0.0000 2773.7932 6233.5463 306.3732 3459.7531 6271.0238 301.0211 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: 6878.01, 0.0039031/step Wall: 6878.01, 0.0039031/step, 0.85543 hours remaining, 114.664062 MB of memory in use. ENERGY: 1711000 656.1569 1815.9123 1951.6079 114.1184 2.9088 -1098.1182 0.0000 0.0000 2757.8756 6200.4617 304.6150 3442.5861 6237.3570 300.9231 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: 6878.79, 0.00392214/step Wall: 6878.79, 0.00392214/step, 0.859384 hours remaining, 114.664062 MB of memory in use. ENERGY: 1711200 635.4973 1826.1222 1976.3262 103.0399 3.3935 -1097.7088 0.0000 0.0000 2730.0084 6176.6787 301.5370 3446.6703 6212.9308 297.9968 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: 6879.57, 0.00390714/step Wall: 6879.57, 0.00390714/step, 0.855881 hours remaining, 114.664062 MB of memory in use. ENERGY: 1711400 655.0753 1839.2071 1979.8467 121.3525 3.4572 -1123.4451 0.0000 0.0000 2713.8943 6189.3880 299.7572 3475.4937 6222.4703 298.5441 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: 6880.35, 0.00390966/step Wall: 6880.35, 0.00390966/step, 0.856215 hours remaining, 114.664062 MB of memory in use. ENERGY: 1711600 682.6580 1822.6380 1947.5362 110.8210 3.3757 -1099.1848 0.0000 0.0000 2696.6713 6164.5154 297.8549 3467.8441 6196.6262 298.3443 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: 6881.14, 0.00390755/step Wall: 6881.14, 0.00390755/step, 0.855536 hours remaining, 114.664062 MB of memory in use. ENERGY: 1711800 645.7810 1803.2768 1980.4209 104.0512 4.1323 -1083.5886 0.0000 0.0000 2649.9046 6103.9782 292.6893 3454.0736 6139.8072 296.9184 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: 6881.92, 0.00390365/step Wall: 6881.92, 0.00390365/step, 0.854465 hours remaining, 114.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1712000 663.7721 1841.2165 1951.1219 110.7935 5.1150 -1102.3689 0.0000 0.0000 2638.3321 6107.9820 291.4111 3469.6500 6141.0261 294.6662 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: 6882.7, 0.00390935/step Wall: 6882.7, 0.00390935/step, 0.855496 hours remaining, 114.664062 MB of memory in use. ENERGY: 1712200 615.7596 1822.3318 1973.0816 111.8920 2.6331 -1076.3908 0.0000 0.0000 2668.1637 6117.4710 294.7061 3449.3073 6148.7037 294.1695 LDB: ============= START OF LOAD BALANCING ============== 6885.4 LDB: ============== END OF LOAD BALANCING =============== 6885.4 LDB: =============== DONE WITH MIGRATION ================ 6885.4 LDB: ============= START OF LOAD BALANCING ============== 6885.79 LDB: ============== END OF LOAD BALANCING =============== 6885.79 LDB: =============== DONE WITH MIGRATION ================ 6885.79 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: 6883.48, 0.00391335/step Wall: 6883.48, 0.00391335/step, 0.856153 hours remaining, 114.664062 MB of memory in use. ENERGY: 1712400 630.2976 1816.8193 1949.5663 100.9842 2.8121 -1078.1230 0.0000 0.0000 2701.8925 6124.2490 298.4315 3422.3566 6154.8157 294.5019 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: 6884.26, 0.00390942/step Wall: 6884.26, 0.00390942/step, 0.855077 hours remaining, 114.664062 MB of memory in use. ENERGY: 1712600 671.8440 1837.1649 1964.9907 98.3841 3.4719 -1121.8494 0.0000 0.0000 2670.9527 6124.9590 295.0142 3454.0063 6157.7868 297.5935 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: 6885.04, 0.00390576/step Wall: 6885.04, 0.00390576/step, 0.854058 hours remaining, 114.664062 MB of memory in use. ENERGY: 1712800 667.2294 1836.6223 1951.2383 104.2037 3.4320 -1057.2292 0.0000 0.0000 2660.2443 6165.7407 293.8314 3505.4964 6200.3103 296.6329 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: 6885.82, 0.00390606/step Wall: 6885.82, 0.00390606/step, 0.853909 hours remaining, 114.664062 MB of memory in use. ENERGY: 1713000 681.6789 1821.7747 1977.7456 120.9744 3.3618 -1093.9408 0.0000 0.0000 2706.7787 6218.3733 298.9712 3511.5946 6253.2429 297.8498 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: 6886.61, 0.00390909/step Wall: 6886.61, 0.00390909/step, 0.854354 hours remaining, 114.664062 MB of memory in use. ENERGY: 1713200 669.3722 1811.1591 1976.8925 117.3739 2.8208 -1095.5417 0.0000 0.0000 2714.6373 6196.7141 299.8393 3482.0768 6231.9677 299.6742 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: 6887.39, 0.00390767/step Wall: 6887.39, 0.00390767/step, 0.853825 hours remaining, 114.664062 MB of memory in use. ENERGY: 1713400 663.9035 1816.7382 1951.0486 106.4017 2.8432 -1060.7594 0.0000 0.0000 2698.0760 6178.2518 298.0100 3480.1757 6211.2782 298.6169 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: 6888.17, 0.00390738/step Wall: 6888.17, 0.00390738/step, 0.853544 hours remaining, 114.664062 MB of memory in use. ENERGY: 1713600 653.2845 1811.4193 1940.3781 123.2556 2.9750 -1056.7141 0.0000 0.0000 2698.7923 6173.3908 298.0891 3474.5985 6206.5333 298.3224 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: 6888.95, 0.00390355/step Wall: 6888.95, 0.00390355/step, 0.852493 hours remaining, 114.664062 MB of memory in use. ENERGY: 1713800 631.6332 1834.7043 1947.4340 105.2063 2.5892 -1094.6571 0.0000 0.0000 2703.0671 6129.9770 298.5613 3426.9100 6165.5346 296.7948 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: 6889.73, 0.00390854/step Wall: 6889.73, 0.00390854/step, 0.853364 hours remaining, 114.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1714000 658.8677 1792.2937 1962.4958 106.8619 1.6621 -1115.1081 0.0000 0.0000 2782.5509 6189.6241 307.3405 3407.0731 6225.8429 298.2696 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: 6890.51, 0.00390845/step Wall: 6890.51, 0.00390845/step, 0.853129 hours remaining, 114.664062 MB of memory in use. ENERGY: 1714200 669.4390 1843.2465 1980.4281 110.7800 3.9166 -1070.3760 0.0000 0.0000 2703.5823 6241.0165 298.6182 3537.4342 6274.1400 300.7123 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: 6891.3, 0.0039102/step Wall: 6891.3, 0.0039102/step, 0.853292 hours remaining, 114.664062 MB of memory in use. ENERGY: 1714400 666.6788 1869.5414 1973.3418 107.0233 3.4173 -1074.9290 0.0000 0.0000 2743.1873 6288.2609 302.9927 3545.0735 6319.9926 301.2943 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: 6892.08, 0.00390946/step Wall: 6892.08, 0.00390946/step, 0.852914 hours remaining, 114.664062 MB of memory in use. ENERGY: 1714600 691.6556 1843.5017 1977.0090 92.1891 2.5427 -1100.1685 0.0000 0.0000 2739.8538 6246.5834 302.6245 3506.7296 6280.6072 303.8717 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: 6892.86, 0.00390503/step Wall: 6892.86, 0.00390503/step, 0.851731 hours remaining, 114.664062 MB of memory in use. ENERGY: 1714800 671.6078 1849.8585 1945.8536 105.3893 2.5713 -1077.2711 0.0000 0.0000 2732.6266 6230.6360 301.8262 3498.0095 6262.0168 303.9035 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: 6893.64, 0.00391019/step Wall: 6893.64, 0.00391019/step, 0.852639 hours remaining, 114.664062 MB of memory in use. ENERGY: 1715000 633.3435 1827.8439 1974.1828 119.2236 3.7065 -1059.8421 0.0000 0.0000 2745.5836 6244.0418 303.2574 3498.4582 6279.7680 302.2513 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: 6894.42, 0.00390947/step Wall: 6894.42, 0.00390947/step, 0.852263 hours remaining, 114.664062 MB of memory in use. ENERGY: 1715200 671.0048 1854.6423 1985.2102 107.6634 2.6261 -1054.7798 0.0000 0.0000 2710.2260 6276.5930 299.3520 3566.3670 6309.1361 301.3992 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: 6895.2, 0.00390887/step Wall: 6895.2, 0.00390887/step, 0.851917 hours remaining, 114.664062 MB of memory in use. ENERGY: 1715400 652.7319 1844.3090 1964.7645 103.9065 3.4124 -1053.2965 0.0000 0.0000 2809.2870 6325.1148 310.2936 3515.8278 6362.2706 305.0377 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: 6895.98, 0.00390298/step Wall: 6895.98, 0.00390298/step, 0.850417 hours remaining, 114.664062 MB of memory in use. ENERGY: 1715600 640.7084 1856.6497 1970.1946 122.0006 2.2155 -1075.8971 0.0000 0.0000 2757.3526 6273.2243 304.5573 3515.8717 6310.1827 304.8785 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: 6896.77, 0.00390767/step Wall: 6896.77, 0.00390767/step, 0.851222 hours remaining, 114.664062 MB of memory in use. ENERGY: 1715800 639.0341 1866.5268 1974.5336 112.6093 1.6460 -1098.0058 0.0000 0.0000 2764.0570 6260.4011 305.2978 3496.3441 6294.5451 304.0041 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: 6897.55, 0.00390714/step Wall: 6897.55, 0.00390714/step, 0.850888 hours remaining, 114.664062 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1716000 657.6527 1814.7264 1960.2136 106.9019 2.5523 -1106.0262 0.0000 0.0000 2715.2592 6151.2799 299.9079 3436.0207 6183.9712 300.5827 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: 6898.33, 0.00390884/step Wall: 6898.33, 0.00390884/step, 0.851041 hours remaining, 114.664062 MB of memory in use. ENERGY: 1716200 665.7514 1806.5454 1949.3785 109.5727 2.6718 -1138.1620 0.0000 0.0000 2755.0986 6150.8564 304.3083 3395.7578 6184.6947 297.9576 LDB: ============= START OF LOAD BALANCING ============== 6901.03 LDB: ============== END OF LOAD BALANCING =============== 6901.03 LDB: =============== DONE WITH MIGRATION ================ 6901.03 LDB: ============= START OF LOAD BALANCING ============== 6901.42 LDB: ============== END OF LOAD BALANCING =============== 6901.42 LDB: =============== DONE WITH MIGRATION ================ 6901.42 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: 6899.11, 0.00391457/step Wall: 6899.11, 0.00391457/step, 0.852072 hours remaining, 114.824219 MB of memory in use. ENERGY: 1716400 641.4567 1866.7429 1959.2297 107.5089 1.8567 -1097.8276 0.0000 0.0000 2692.5557 6171.5231 297.4003 3478.9675 6204.7384 298.6885 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: 6899.89, 0.00390417/step Wall: 6899.89, 0.00390417/step, 0.849591 hours remaining, 114.828125 MB of memory in use. ENERGY: 1716600 657.1077 1787.2286 1992.8549 116.9731 2.4449 -1093.6240 0.0000 0.0000 2712.2795 6175.2646 299.5788 3462.9851 6207.8889 298.7248 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: 6900.68, 0.00391084/step Wall: 6900.68, 0.00391084/step, 0.850825 hours remaining, 114.828125 MB of memory in use. ENERGY: 1716800 625.4874 1877.8524 1984.9328 96.6970 1.2387 -1139.5144 0.0000 0.0000 2644.4988 6091.1927 292.0923 3446.6939 6124.1383 297.2950 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: 6901.5, 0.00411984/step Wall: 6901.5, 0.00411984/step, 0.896065 hours remaining, 114.832031 MB of memory in use. ENERGY: 1717000 644.9263 1835.8852 1943.7195 97.5974 1.0581 -1104.3243 0.0000 0.0000 2703.1937 6122.0558 298.5753 3418.8621 6152.8530 295.6052 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: 6902.3, 0.00400087/step Wall: 6902.3, 0.00400088/step, 0.869969 hours remaining, 114.832031 MB of memory in use. ENERGY: 1717200 647.6653 1829.4432 1940.2454 100.7542 0.9841 -1135.5915 0.0000 0.0000 2695.7214 6079.2221 297.7499 3383.5007 6110.7117 295.4010 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: 6903.08, 0.00390556/step Wall: 6903.08, 0.00390556/step, 0.849025 hours remaining, 114.832031 MB of memory in use. ENERGY: 1717400 613.7044 1865.4486 1970.7066 106.3441 1.6806 -1140.9677 0.0000 0.0000 2676.0293 6092.9459 295.5749 3416.9166 6125.4977 294.1693 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: 6903.86, 0.00390555/step Wall: 6903.86, 0.00390555/step, 0.848806 hours remaining, 114.832031 MB of memory in use. ENERGY: 1717600 675.1800 1808.3828 1962.7522 101.8564 2.3044 -1108.5826 0.0000 0.0000 2705.7717 6147.6650 298.8600 3441.8933 6178.1057 295.3355 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: 6904.64, 0.00390532/step Wall: 6904.64, 0.00390532/step, 0.84854 hours remaining, 114.832031 MB of memory in use. ENERGY: 1717800 635.7245 1860.6367 1956.8854 105.7819 0.6607 -1106.2832 0.0000 0.0000 2719.1435 6172.5494 300.3370 3453.4060 6206.6106 299.3860 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: 6905.42, 0.00390406/step Wall: 6905.42, 0.00390405/step, 0.848047 hours remaining, 114.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1718000 680.5453 1851.6576 1942.6425 102.8454 1.1033 -1077.9632 0.0000 0.0000 2669.4624 6170.2933 294.8496 3500.8309 6205.2396 300.3809 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: 6906.2, 0.00390509/step Wall: 6906.2, 0.00390509/step, 0.848056 hours remaining, 114.832031 MB of memory in use. ENERGY: 1718200 643.4793 1857.9292 1955.7844 113.8444 1.4298 -1085.9452 0.0000 0.0000 2725.0772 6211.5991 300.9924 3486.5219 6246.5586 301.0154 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: 6906.99, 0.003905/step Wall: 6906.99, 0.003905/step, 0.847819 hours remaining, 114.832031 MB of memory in use. ENERGY: 1718400 635.1015 1865.5059 1989.1561 102.6488 2.4592 -1100.0965 0.0000 0.0000 2692.9888 6187.7639 297.4481 3494.7751 6221.1056 300.7530 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: 6907.77, 0.00390691/step Wall: 6907.77, 0.00390691/step, 0.848017 hours remaining, 114.832031 MB of memory in use. ENERGY: 1718600 647.5704 1829.7287 1965.2169 103.2619 2.9807 -1117.2633 0.0000 0.0000 2725.1313 6156.6265 300.9983 3431.4952 6191.5871 298.7805 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: 6908.55, 0.00390651/step Wall: 6908.55, 0.00390651/step, 0.847712 hours remaining, 114.832031 MB of memory in use. ENERGY: 1718800 658.6918 1828.6221 1949.7462 101.6182 3.4587 -1085.1194 0.0000 0.0000 2709.1948 6166.2123 299.2381 3457.0176 6200.7216 298.7089 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: 6909.33, 0.00391019/step Wall: 6909.33, 0.00391019/step, 0.848294 hours remaining, 114.832031 MB of memory in use. ENERGY: 1719000 698.9148 1829.4703 1972.3717 101.0428 2.4660 -1080.5023 0.0000 0.0000 2615.5766 6139.3399 288.8977 3523.7633 6169.9998 298.6744 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: 6910.11, 0.00390642/step Wall: 6910.11, 0.00390642/step, 0.847259 hours remaining, 114.832031 MB of memory in use. ENERGY: 1719200 624.2638 1854.4074 1952.5430 109.3608 3.2172 -1069.3592 0.0000 0.0000 2679.8455 6154.2785 295.9964 3474.4329 6188.3432 295.9439 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: 6910.89, 0.00390615/step Wall: 6910.89, 0.00390615/step, 0.846985 hours remaining, 114.832031 MB of memory in use. ENERGY: 1719400 643.8526 1856.9860 1976.1443 107.4597 3.9253 -1111.9055 0.0000 0.0000 2700.2252 6176.6876 298.2474 3476.4624 6209.6138 297.4782 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: 6911.67, 0.00390511/step Wall: 6911.67, 0.00390511/step, 0.846541 hours remaining, 114.832031 MB of memory in use. ENERGY: 1719600 633.8573 1880.6040 1930.5364 121.6710 4.1879 -1109.1518 0.0000 0.0000 2675.8287 6137.5334 295.5527 3461.7048 6169.3948 298.8081 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: 6912.46, 0.00390549/step Wall: 6912.46, 0.00390549/step, 0.846406 hours remaining, 114.832031 MB of memory in use. ENERGY: 1719800 684.6625 1803.5049 1980.1178 117.0928 3.4769 -1094.1563 0.0000 0.0000 2662.6104 6157.3090 294.0927 3494.6986 6189.0572 298.8770 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: 6913.24, 0.00390596/step Wall: 6913.24, 0.00390596/step, 0.84629 hours remaining, 114.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1720000 639.9349 1832.0866 1966.2921 116.0408 2.4880 -1139.3194 0.0000 0.0000 2715.2432 6132.7661 299.9062 3417.5229 6163.1177 298.7651 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1720000 WRITING COORDINATES TO DCD FILE MD.1.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: 6914.09, 0.00427696/step Wall: 6914.09, 0.00427696/step, 0.926437 hours remaining, 114.832031 MB of memory in use. ENERGY: 1720200 654.5329 1791.8011 1945.8465 114.2328 1.9825 -1104.1170 0.0000 0.0000 2693.4491 6097.7280 297.4990 3404.2789 6132.1050 296.2950 LDB: ============= START OF LOAD BALANCING ============== 6916.79 LDB: ============== END OF LOAD BALANCING =============== 6916.79 LDB: =============== DONE WITH MIGRATION ================ 6916.79 LDB: ============= START OF LOAD BALANCING ============== 6917.19 LDB: ============== END OF LOAD BALANCING =============== 6917.19 LDB: =============== DONE WITH MIGRATION ================ 6917.19 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: 6914.88, 0.00392798/step Wall: 6914.88, 0.00392798/step, 0.850627 hours remaining, 114.832031 MB of memory in use. ENERGY: 1720400 676.3390 1801.2494 1971.3844 105.8832 1.5488 -1102.7794 0.0000 0.0000 2697.6034 6151.2287 297.9578 3453.6253 6184.6956 296.9889 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: 6915.66, 0.00391447/step Wall: 6915.66, 0.00391447/step, 0.847482 hours remaining, 114.832031 MB of memory in use. ENERGY: 1720600 660.3578 1875.4538 1965.9373 100.2507 2.4960 -1133.0862 0.0000 0.0000 2709.8825 6181.2919 299.3141 3471.4094 6214.5683 298.4326 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: 6916.44, 0.00391268/step Wall: 6916.44, 0.00391268/step, 0.846879 hours remaining, 114.832031 MB of memory in use. ENERGY: 1720800 653.1075 1888.5190 1969.1342 114.6339 3.0836 -1115.7933 0.0000 0.0000 2710.1301 6222.8150 299.3414 3512.6849 6257.7988 301.8228 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: 6917.22, 0.00391058/step Wall: 6917.22, 0.00391058/step, 0.846207 hours remaining, 114.832031 MB of memory in use. ENERGY: 1721000 676.8126 1831.9744 1968.5138 116.0156 2.5496 -1098.5623 0.0000 0.0000 2702.8226 6200.1263 298.5343 3497.3037 6231.2570 301.6670 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: 6918.01, 0.00390547/step Wall: 6918.01, 0.00390547/step, 0.844882 hours remaining, 114.832031 MB of memory in use. ENERGY: 1721200 625.3439 1888.0121 1964.8833 105.7326 2.6373 -1070.2641 0.0000 0.0000 2699.2480 6215.5932 298.1395 3516.3452 6248.5088 300.1501 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: 6918.79, 0.00391915/step Wall: 6918.79, 0.00391915/step, 0.847625 hours remaining, 114.832031 MB of memory in use. ENERGY: 1721400 643.4604 1832.1068 1962.9616 102.9802 2.1559 -1079.2173 0.0000 0.0000 2701.0030 6165.4506 298.3333 3464.4476 6199.3594 299.0968 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: 6919.57, 0.00390927/step Wall: 6919.57, 0.00390927/step, 0.845272 hours remaining, 114.832031 MB of memory in use. ENERGY: 1721600 637.0689 1850.4561 1965.3742 109.8848 1.5325 -1088.9760 0.0000 0.0000 2729.8062 6205.1469 301.5147 3475.3407 6239.0426 299.1158 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: 6920.35, 0.00390945/step Wall: 6920.35, 0.00390945/step, 0.845093 hours remaining, 114.832031 MB of memory in use. ENERGY: 1721800 645.8007 1816.8486 1953.0195 101.6525 3.2697 -1090.5009 0.0000 0.0000 2706.6275 6136.7176 298.9545 3430.0901 6169.0480 297.7720 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: 6921.14, 0.00390811/step Wall: 6921.14, 0.00390811/step, 0.844586 hours remaining, 114.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1722000 697.1919 1794.4923 1947.5886 111.3164 2.2470 -1078.1651 0.0000 0.0000 2734.0700 6208.7413 301.9857 3474.6712 6239.7629 298.9229 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: 6921.92, 0.00390602/step Wall: 6921.92, 0.00390602/step, 0.843916 hours remaining, 114.832031 MB of memory in use. ENERGY: 1722200 664.3340 1827.6987 1960.3432 104.5911 1.6161 -1069.5301 0.0000 0.0000 2683.3296 6172.3826 296.3812 3489.0530 6206.1825 297.7885 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: 6922.7, 0.00390926/step Wall: 6922.7, 0.00390926/step, 0.844401 hours remaining, 114.832031 MB of memory in use. ENERGY: 1722400 633.1785 1836.6801 1968.9573 109.5221 1.3410 -1102.1093 0.0000 0.0000 2748.6795 6196.2491 303.5993 3447.5697 6232.8876 299.7076 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: 6923.48, 0.00390936/step Wall: 6923.48, 0.00390936/step, 0.844206 hours remaining, 114.832031 MB of memory in use. ENERGY: 1722600 663.0395 1847.5764 1945.3959 110.6771 3.4391 -1077.9243 0.0000 0.0000 2663.1552 6155.3589 294.1529 3492.2037 6186.8680 298.3141 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: 6924.26, 0.00390933/step Wall: 6924.26, 0.00390933/step, 0.843981 hours remaining, 114.832031 MB of memory in use. ENERGY: 1722800 666.5004 1869.1322 1947.0039 119.0499 2.9738 -1099.3375 0.0000 0.0000 2681.9551 6187.2777 296.2294 3505.3226 6220.2333 300.8649 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: 6925.04, 0.00390581/step Wall: 6925.04, 0.00390581/step, 0.843004 hours remaining, 114.832031 MB of memory in use. ENERGY: 1723000 657.9866 1794.8112 1945.3513 110.2005 1.6853 -1121.2476 0.0000 0.0000 2742.0160 6130.8033 302.8633 3388.7872 6164.8421 298.5546 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: 6925.83, 0.00391068/step Wall: 6925.83, 0.00391068/step, 0.843838 hours remaining, 114.832031 MB of memory in use. ENERGY: 1723200 636.9814 1855.3212 1934.3735 104.7668 1.6699 -1074.4102 0.0000 0.0000 2667.1710 6125.8736 294.5965 3458.7025 6155.5838 297.0656 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: 6926.61, 0.0039098/step Wall: 6926.61, 0.0039098/step, 0.843431 hours remaining, 114.832031 MB of memory in use. ENERGY: 1723400 656.7716 1809.1477 1949.7875 99.4872 3.2875 -1116.6385 0.0000 0.0000 2668.2953 6070.1383 294.7206 3401.8430 6099.4897 294.8569 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: 6927.39, 0.00391125/step Wall: 6927.39, 0.00391125/step, 0.843526 hours remaining, 114.832031 MB of memory in use. ENERGY: 1723600 644.9545 1797.4022 1936.7526 102.1105 2.8225 -1113.3500 0.0000 0.0000 2683.3822 6054.0745 296.3870 3370.6923 6086.9934 292.7083 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: 6928.17, 0.00391013/step Wall: 6928.17, 0.00391013/step, 0.843068 hours remaining, 114.832031 MB of memory in use. ENERGY: 1723800 642.4357 1821.9467 1943.2557 105.3451 2.5732 -1132.1621 0.0000 0.0000 2660.4494 6043.8437 293.8540 3383.3943 6075.3889 292.9248 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: 6928.95, 0.00390687/step Wall: 6928.95, 0.00390687/step, 0.842149 hours remaining, 114.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1724000 600.3253 1800.4637 1935.9245 97.9051 2.9753 -1068.0408 0.0000 0.0000 2678.5985 6048.1517 295.8587 3369.5532 6080.1728 291.8331 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: 6929.74, 0.00391115/step Wall: 6929.74, 0.00391115/step, 0.842853 hours remaining, 114.832031 MB of memory in use. ENERGY: 1724200 664.8538 1778.6784 1950.8512 117.1357 2.6274 -1101.3558 0.0000 0.0000 2653.9922 6066.7831 293.1408 3412.7908 6099.6633 292.6323 LDB: ============= START OF LOAD BALANCING ============== 6932.43 LDB: ============== END OF LOAD BALANCING =============== 6932.43 LDB: =============== DONE WITH MIGRATION ================ 6932.43 LDB: ============= START OF LOAD BALANCING ============== 6932.83 LDB: ============== END OF LOAD BALANCING =============== 6932.83 LDB: =============== DONE WITH MIGRATION ================ 6932.83 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: 6930.52, 0.00391484/step Wall: 6930.52, 0.00391484/step, 0.843432 hours remaining, 114.832031 MB of memory in use. ENERGY: 1724400 675.1325 1813.7405 1921.5415 112.3270 3.0084 -1103.4330 0.0000 0.0000 2671.5582 6093.8750 295.0810 3422.3168 6126.1826 293.4683 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: 6931.3, 0.00390989/step Wall: 6931.3, 0.00390989/step, 0.842148 hours remaining, 114.832031 MB of memory in use. ENERGY: 1724600 654.5118 1812.0418 1942.7759 106.7830 2.2253 -1109.9471 0.0000 0.0000 2719.1027 6127.4934 300.3325 3408.3907 6158.9353 296.0455 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: 6932.08, 0.00390495/step Wall: 6932.08, 0.00390495/step, 0.840866 hours remaining, 114.832031 MB of memory in use. ENERGY: 1724800 696.9228 1837.7695 1939.5203 112.2618 1.6864 -1095.3330 0.0000 0.0000 2670.4717 6163.2995 294.9610 3492.8278 6194.8521 298.0811 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: 6932.86, 0.00390888/step Wall: 6932.86, 0.00390888/step, 0.841495 hours remaining, 114.832031 MB of memory in use. ENERGY: 1725000 690.6727 1861.9236 1974.7167 105.2940 1.7580 -1110.4798 0.0000 0.0000 2657.8923 6181.7775 293.5716 3523.8852 6214.2263 299.1372 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: 6933.64, 0.0039109/step Wall: 6933.64, 0.0039109/step, 0.841713 hours remaining, 114.832031 MB of memory in use. ENERGY: 1725200 644.4621 1810.9051 1958.9274 102.0549 2.5410 -1095.6382 0.0000 0.0000 2771.3933 6194.6456 306.1081 3423.2523 6232.0191 301.0729 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: 6934.43, 0.0039118/step Wall: 6934.43, 0.0039118/step, 0.841689 hours remaining, 114.832031 MB of memory in use. ENERGY: 1725400 640.4206 1879.8032 1945.2810 124.7275 2.8122 -1121.7810 0.0000 0.0000 2722.5113 6193.7748 300.7090 3471.2635 6227.0963 302.6861 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: 6935.21, 0.00390993/step Wall: 6935.21, 0.00390993/step, 0.841069 hours remaining, 114.832031 MB of memory in use. ENERGY: 1725600 652.6412 1928.4115 1949.4655 116.7363 2.3932 -1086.4708 0.0000 0.0000 2611.4074 6174.5844 288.4372 3563.1769 6204.1003 300.5953 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: 6935.99, 0.00390604/step Wall: 6935.99, 0.00390604/step, 0.840017 hours remaining, 114.832031 MB of memory in use. ENERGY: 1725800 655.2481 1867.0246 1958.7146 111.1762 1.7638 -1095.1132 0.0000 0.0000 2710.5096 6209.3237 299.3833 3498.8140 6241.4677 300.6250 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: 6936.77, 0.00391165/step Wall: 6936.77, 0.00391165/step, 0.841004 hours remaining, 114.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1726000 648.4593 1908.1006 1933.6962 108.7357 2.5156 -1120.8113 0.0000 0.0000 2760.0403 6240.7364 304.8541 3480.6961 6274.7676 303.6164 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: 6937.56, 0.00391204/step Wall: 6937.56, 0.00391204/step, 0.840871 hours remaining, 114.832031 MB of memory in use. ENERGY: 1726200 645.0317 1867.1130 1953.7687 110.3259 1.8943 -1097.0670 0.0000 0.0000 2789.6809 6270.7476 308.1280 3481.0667 6306.2336 304.6178 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: 6938.34, 0.00391293/step Wall: 6938.34, 0.00391293/step, 0.840844 hours remaining, 114.832031 MB of memory in use. ENERGY: 1726400 674.0867 1884.4881 1954.7334 106.8683 2.4775 -1089.2680 0.0000 0.0000 2724.7067 6258.0929 300.9514 3533.3862 6289.8906 305.0070 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: 6939.12, 0.00390593/step Wall: 6939.12, 0.00390593/step, 0.839124 hours remaining, 114.832031 MB of memory in use. ENERGY: 1726600 667.0209 1891.6302 1954.1213 109.4963 2.4872 -1117.0115 0.0000 0.0000 2729.0987 6236.8430 301.4366 3507.7443 6268.0389 304.6946 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: 6939.9, 0.00391212/step Wall: 6939.9, 0.00391212/step, 0.840235 hours remaining, 114.832031 MB of memory in use. ENERGY: 1726800 643.0078 1875.8322 1957.4574 100.8758 2.1801 -1094.8511 0.0000 0.0000 2745.4623 6229.9644 303.2440 3484.5021 6266.4661 302.4463 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: 6940.68, 0.00391247/step Wall: 6940.68, 0.00391247/step, 0.840094 hours remaining, 114.832031 MB of memory in use. ENERGY: 1727000 678.7083 1893.6202 1941.2972 102.6062 2.2346 -1111.4204 0.0000 0.0000 2787.7143 6294.7604 307.9108 3507.0461 6327.4395 305.8410 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: 6941.47, 0.00391377/step Wall: 6941.47, 0.00391377/step, 0.840157 hours remaining, 114.832031 MB of memory in use. ENERGY: 1727200 685.2713 1920.6490 1956.8323 116.0538 2.6759 -1144.2388 0.0000 0.0000 2724.7951 6262.0385 300.9612 3537.2434 6297.2808 305.8839 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: 6942.25, 0.00390972/step Wall: 6942.25, 0.00390972/step, 0.83907 hours remaining, 114.832031 MB of memory in use. ENERGY: 1727400 675.1101 1867.5877 1937.4020 111.6401 2.3156 -1144.0940 0.0000 0.0000 2763.7457 6213.7071 305.2634 3449.9615 6248.2736 304.0000 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: 6943.03, 0.00390562/step Wall: 6943.03, 0.00390562/step, 0.837973 hours remaining, 114.832031 MB of memory in use. ENERGY: 1727600 660.0580 1879.5728 1923.1332 116.3437 2.0148 -1107.5610 0.0000 0.0000 2678.4962 6152.0578 295.8474 3473.5616 6183.5644 299.5128 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: 6943.81, 0.00390983/step Wall: 6943.81, 0.00390983/step, 0.838657 hours remaining, 114.832031 MB of memory in use. ENERGY: 1727800 656.2700 1858.5219 1941.8208 106.7764 2.6622 -1059.2878 0.0000 0.0000 2715.4823 6222.2458 299.9326 3506.7635 6254.5186 300.4063 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: 6944.59, 0.00391076/step Wall: 6944.59, 0.00391076/step, 0.838641 hours remaining, 114.832031 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1728000 669.8311 1891.8099 1951.7441 111.5493 3.4157 -1100.6110 0.0000 0.0000 2707.4698 6235.2089 299.0476 3527.7391 6264.4526 302.2240 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: 6945.38, 0.0039099/step Wall: 6945.38, 0.0039099/step, 0.838239 hours remaining, 114.832031 MB of memory in use. ENERGY: 1728200 645.5148 1900.9363 1988.3218 102.3996 2.8315 -1106.7026 0.0000 0.0000 2748.4456 6281.7470 303.5735 3533.3015 6311.9595 303.9372 LDB: ============= START OF LOAD BALANCING ============== 6948.08 LDB: ============== END OF LOAD BALANCING =============== 6948.08 LDB: =============== DONE WITH MIGRATION ================ 6948.08 LDB: ============= START OF LOAD BALANCING ============== 6948.47 LDB: ============== END OF LOAD BALANCING =============== 6948.47 LDB: =============== DONE WITH MIGRATION ================ 6948.47 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: 6946.16, 0.0039082/step Wall: 6946.16, 0.0039082/step, 0.837658 hours remaining, 114.832031 MB of memory in use. ENERGY: 1728400 680.9956 1877.0158 1959.2577 114.2465 1.8268 -1104.9488 0.0000 0.0000 2692.5827 6220.9762 297.4033 3528.3936 6252.0351 304.2169 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: 6946.94, 0.00391354/step Wall: 6946.94, 0.00391354/step, 0.838585 hours remaining, 114.832031 MB of memory in use. ENERGY: 1728600 645.9910 1817.8020 1967.1750 112.9068 3.2442 -1087.5005 0.0000 0.0000 2749.6013 6209.2199 303.7011 3459.6185 6240.1521 302.8511 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: 6947.72, 0.00391042/step Wall: 6947.72, 0.00391042/step, 0.837698 hours remaining, 114.832031 MB of memory in use. ENERGY: 1728800 654.3593 1846.4167 1953.1215 106.4578 2.5796 -1118.0872 0.0000 0.0000 2755.3666 6200.2142 304.3379 3444.8476 6235.3105 301.9042 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: 6948.51, 0.00391496/step Wall: 6948.51, 0.00391496/step, 0.838454 hours remaining, 114.832031 MB of memory in use. ENERGY: 1729000 670.6855 1863.2957 1945.5617 103.3084 2.1518 -1115.5022 0.0000 0.0000 2743.5495 6213.0504 303.0327 3469.5009 6243.9398 300.9138 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: 6949.29, 0.00391072/step Wall: 6949.29, 0.00391072/step, 0.837328 hours remaining, 114.832031 MB of memory in use. ENERGY: 1729200 697.4084 1847.7994 1932.8958 95.9107 1.8489 -1124.4398 0.0000 0.0000 2799.4351 6250.8584 309.2054 3451.4233 6283.7718 303.3821 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: 6950.07, 0.00390613/step Wall: 6950.07, 0.00390613/step, 0.836129 hours remaining, 114.832031 MB of memory in use. ENERGY: 1729400 683.1480 1870.2150 1955.1561 110.1669 3.0503 -1103.8342 0.0000 0.0000 2712.6345 6230.5365 299.6180 3517.9020 6263.7006 304.3854 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: 6950.85, 0.00391457/step Wall: 6950.85, 0.00391457/step, 0.837718 hours remaining, 115.015625 MB of memory in use. ENERGY: 1729600 624.3241 1871.8623 1955.3422 102.9782 3.2215 -1106.8732 0.0000 0.0000 2727.4150 6178.2701 301.2506 3450.8551 6211.2046 301.5259 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: 6951.63, 0.00391312/step Wall: 6951.63, 0.00391312/step, 0.83719 hours remaining, 115.019531 MB of memory in use. ENERGY: 1729800 679.6722 1855.9863 1935.4828 108.1905 2.4262 -1115.7087 0.0000 0.0000 2722.6095 6188.6589 300.7198 3466.0494 6223.0813 301.0429 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: 6952.42, 0.00391657/step Wall: 6952.42, 0.00391657/step, 0.837711 hours remaining, 115.019531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1730000 638.6183 1793.8911 1945.0240 118.6672 2.2793 -1079.8939 0.0000 0.0000 2775.5525 6194.1386 306.5675 3418.5860 6231.5903 300.7182 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1730000 WRITING COORDINATES TO DCD FILE MD.1.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: 6953.23, 0.00407351/step Wall: 6953.23, 0.00407351/step, 0.871053 hours remaining, 115.019531 MB of memory in use. ENERGY: 1730200 691.2647 1859.9442 1959.5390 107.5397 2.6666 -1093.2772 0.0000 0.0000 2736.5649 6264.2419 302.2612 3527.6770 6298.0827 301.8496 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: 6954.01, 0.00390779/step Wall: 6954.01, 0.00390779/step, 0.835398 hours remaining, 115.023438 MB of memory in use. ENERGY: 1730400 646.2644 1869.1798 1954.5484 115.9596 4.5302 -1065.3460 0.0000 0.0000 2771.3912 6296.5276 306.1079 3525.1363 6329.5733 304.8395 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: 6954.8, 0.00391469/step Wall: 6954.8, 0.00391469/step, 0.836657 hours remaining, 115.027344 MB of memory in use. ENERGY: 1730600 646.1725 1853.6751 1964.0173 120.5822 3.1479 -1082.4705 0.0000 0.0000 2803.9177 6309.0422 309.7005 3505.1245 6341.3665 305.3699 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: 6955.58, 0.00391152/step Wall: 6955.58, 0.00391152/step, 0.83576 hours remaining, 115.027344 MB of memory in use. ENERGY: 1730800 689.8330 1802.0400 1987.1144 106.1679 3.5554 -1120.9229 0.0000 0.0000 2787.0186 6254.8065 307.8340 3467.7879 6289.3976 304.4940 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: 6956.36, 0.00391323/step Wall: 6956.36, 0.00391323/step, 0.83591 hours remaining, 115.027344 MB of memory in use. ENERGY: 1731000 645.0544 1865.6601 1962.4969 106.5779 5.1227 -1064.3097 0.0000 0.0000 2729.5674 6250.1697 301.4883 3520.6023 6281.1025 302.6920 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: 6957.14, 0.00390746/step Wall: 6957.14, 0.00390746/step, 0.834459 hours remaining, 115.027344 MB of memory in use. ENERGY: 1731200 633.9596 1849.8213 1985.3465 125.8969 3.2176 -1091.2364 0.0000 0.0000 2749.8266 6256.8321 303.7260 3507.0055 6292.9806 303.4040 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: 6957.93, 0.0039108/step Wall: 6957.93, 0.0039108/step, 0.834955 hours remaining, 115.042969 MB of memory in use. ENERGY: 1731400 651.7053 1874.1008 1957.2910 112.5120 4.3756 -1112.7638 0.0000 0.0000 2758.6357 6245.8567 304.6990 3487.2210 6279.7971 302.1142 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: 6958.71, 0.0039238/step Wall: 6958.71, 0.00392379/step, 0.837511 hours remaining, 115.046875 MB of memory in use. ENERGY: 1731600 658.1078 1844.6711 1966.9560 102.6271 4.2150 -1060.3965 0.0000 0.0000 2793.7932 6309.9738 308.5822 3516.1806 6345.8159 305.4929 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: 6959.49, 0.00390852/step Wall: 6959.49, 0.00390852/step, 0.834035 hours remaining, 115.046875 MB of memory in use. ENERGY: 1731800 666.3534 1885.1530 1934.3742 117.8006 3.9226 -1084.7070 0.0000 0.0000 2764.5244 6287.4211 305.3494 3522.8968 6322.5480 308.2112 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: 6960.27, 0.00390935/step Wall: 6960.27, 0.00390936/step, 0.833997 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1732000 685.5091 1885.1665 1995.7610 116.6001 2.8958 -1115.9306 0.0000 0.0000 2717.4984 6287.5002 300.1553 3570.0018 6319.0282 304.5420 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: 6961.06, 0.00390749/step Wall: 6961.06, 0.00390749/step, 0.833381 hours remaining, 115.046875 MB of memory in use. ENERGY: 1732200 658.4660 1881.3362 1951.4736 108.8931 3.2962 -1102.4187 0.0000 0.0000 2744.9797 6246.0259 303.1906 3501.0463 6279.2327 304.5570 LDB: ============= START OF LOAD BALANCING ============== 6963.76 LDB: ============== END OF LOAD BALANCING =============== 6963.76 LDB: =============== DONE WITH MIGRATION ================ 6963.76 LDB: ============= START OF LOAD BALANCING ============== 6964.15 LDB: ============== END OF LOAD BALANCING =============== 6964.15 LDB: =============== DONE WITH MIGRATION ================ 6964.15 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: 6961.84, 0.00391671/step Wall: 6961.84, 0.00391671/step, 0.835131 hours remaining, 115.046875 MB of memory in use. ENERGY: 1732400 639.3468 1860.3005 1939.4086 119.6569 3.0956 -1061.1866 0.0000 0.0000 2750.8500 6251.4718 303.8390 3500.6218 6284.2436 302.7963 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: 6962.62, 0.00391656/step Wall: 6962.62, 0.00391656/step, 0.83488 hours remaining, 115.046875 MB of memory in use. ENERGY: 1732600 676.3919 1861.1614 1994.8741 124.4856 1.9563 -1085.1173 0.0000 0.0000 2704.1994 6277.9514 298.6864 3573.7520 6309.6023 305.0014 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: 6963.4, 0.00391456/step Wall: 6963.4, 0.00391456/step, 0.834236 hours remaining, 115.046875 MB of memory in use. ENERGY: 1732800 681.5219 1835.4574 1956.7184 113.4285 1.4852 -1079.5620 0.0000 0.0000 2761.9323 6270.9816 305.0631 3509.0493 6306.0205 303.6992 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: 6964.19, 0.00390684/step Wall: 6964.19, 0.00390684/step, 0.832373 hours remaining, 115.046875 MB of memory in use. ENERGY: 1733000 646.2067 1854.4532 1983.8921 108.3659 0.5839 -1091.5318 0.0000 0.0000 2700.4749 6202.4449 298.2750 3501.9700 6233.8119 303.4444 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: 6964.97, 0.00391317/step Wall: 6964.97, 0.00391316/step, 0.833504 hours remaining, 115.046875 MB of memory in use. ENERGY: 1733200 670.6398 1853.9641 1961.0098 107.8767 0.9049 -1125.0520 0.0000 0.0000 2784.7929 6254.1361 307.5881 3469.3433 6290.7401 303.5544 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: 6965.75, 0.00391227/step Wall: 6965.75, 0.00391228/step, 0.833098 hours remaining, 115.046875 MB of memory in use. ENERGY: 1733400 670.0844 1923.3364 1930.6467 98.5213 2.9810 -1152.1077 0.0000 0.0000 2762.5672 6236.0292 305.1332 3473.4621 6270.6134 303.8698 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: 6966.53, 0.00391402/step Wall: 6966.53, 0.00391402/step, 0.833251 hours remaining, 115.046875 MB of memory in use. ENERGY: 1733600 675.7080 1840.6176 1937.1197 110.8152 3.1576 -1117.8614 0.0000 0.0000 2701.1198 6150.6764 298.3462 3449.5566 6181.5041 301.4428 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: 6967.32, 0.00391324/step Wall: 6967.32, 0.00391324/step, 0.832868 hours remaining, 115.046875 MB of memory in use. ENERGY: 1733800 651.9403 1811.3347 1923.7820 107.2818 3.0363 -1088.3484 0.0000 0.0000 2724.9899 6134.0165 300.9827 3409.0266 6166.6015 297.7730 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: 6968.1, 0.00390547/step Wall: 6968.1, 0.00390547/step, 0.830997 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1734000 652.3473 1862.2462 1945.8761 120.6670 3.6154 -1123.7162 0.0000 0.0000 2657.2881 6118.3238 293.5049 3461.0357 6150.7045 297.5688 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: 6968.88, 0.00393063/step Wall: 6968.88, 0.00393063/step, 0.836132 hours remaining, 115.046875 MB of memory in use. ENERGY: 1734200 664.6535 1829.0720 1947.1267 119.8221 3.1611 -1074.3588 0.0000 0.0000 2647.9792 6137.4558 292.4767 3489.4766 6171.7866 297.9764 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: 6969.67, 0.00391306/step Wall: 6969.67, 0.00391306/step, 0.832178 hours remaining, 115.046875 MB of memory in use. ENERGY: 1734400 635.7513 1885.0701 1942.1151 96.7112 3.3110 -1070.7028 0.0000 0.0000 2699.2607 6191.5165 298.1409 3492.2558 6220.2115 299.5500 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: 6970.45, 0.00391297/step Wall: 6970.45, 0.00391297/step, 0.831942 hours remaining, 115.046875 MB of memory in use. ENERGY: 1734600 681.3707 1843.9068 1938.2637 111.7850 2.8280 -1109.0875 0.0000 0.0000 2699.2367 6168.3036 298.1382 3469.0669 6200.7479 300.1066 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: 6971.23, 0.0039111/step Wall: 6971.23, 0.0039111/step, 0.831325 hours remaining, 115.046875 MB of memory in use. ENERGY: 1734800 688.1509 1846.5261 1956.8880 105.4683 1.7728 -1137.0337 0.0000 0.0000 2701.8061 6163.5785 298.4220 3461.7724 6197.5431 300.7897 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: 6972.01, 0.00390369/step Wall: 6972.01, 0.00390369/step, 0.829535 hours remaining, 115.046875 MB of memory in use. ENERGY: 1735000 661.1975 1827.3843 1964.4299 112.8141 2.3690 -1101.2783 0.0000 0.0000 2659.3773 6126.2937 293.7356 3466.9165 6156.6789 297.1739 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: 6972.79, 0.00391327/step Wall: 6972.79, 0.00391327/step, 0.831353 hours remaining, 115.046875 MB of memory in use. ENERGY: 1735200 627.1617 1788.9516 1961.4386 104.2255 2.7163 -1088.7762 0.0000 0.0000 2693.9632 6089.6808 297.5557 3395.7176 6121.4626 293.8040 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: 6973.58, 0.00391389/step Wall: 6973.58, 0.00391389/step, 0.831268 hours remaining, 115.046875 MB of memory in use. ENERGY: 1735400 660.4942 1852.3172 1955.2864 107.4350 2.1733 -1100.0911 0.0000 0.0000 2660.6893 6138.3044 293.8805 3477.6151 6169.9068 295.9710 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: 6974.36, 0.00391618/step Wall: 6974.36, 0.00391618/step, 0.831535 hours remaining, 115.046875 MB of memory in use. ENERGY: 1735600 634.4969 1857.8923 1956.2439 117.8861 2.8732 -1089.0006 0.0000 0.0000 2666.8202 6147.2120 294.5577 3480.3918 6179.7395 297.3523 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: 6975.14, 0.00390888/step Wall: 6975.14, 0.00390888/step, 0.829768 hours remaining, 115.046875 MB of memory in use. ENERGY: 1735800 666.3414 1801.8279 1932.5853 103.4922 2.9751 -1092.8077 0.0000 0.0000 2769.9066 6184.3208 305.9439 3414.4143 6218.4449 297.5661 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: 6975.93, 0.00391492/step Wall: 6975.93, 0.00391492/step, 0.830832 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1736000 632.1524 1876.0431 1987.2778 113.8568 0.9786 -1108.7848 0.0000 0.0000 2692.2782 6193.8023 297.3696 3501.5240 6225.6267 299.5128 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: 6976.71, 0.00391439/step Wall: 6976.71, 0.00391439/step, 0.830504 hours remaining, 115.046875 MB of memory in use. ENERGY: 1736200 664.1251 1827.3025 1979.7217 120.5801 2.8455 -1117.3792 0.0000 0.0000 2712.4020 6189.5978 299.5924 3477.1958 6221.2932 301.0387 LDB: ============= START OF LOAD BALANCING ============== 6979.41 LDB: ============== END OF LOAD BALANCING =============== 6979.41 LDB: =============== DONE WITH MIGRATION ================ 6979.41 LDB: ============= START OF LOAD BALANCING ============== 6979.8 LDB: ============== END OF LOAD BALANCING =============== 6979.8 LDB: =============== DONE WITH MIGRATION ================ 6979.8 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: 6977.49, 0.00392001/step Wall: 6977.49, 0.00392001/step, 0.831477 hours remaining, 115.046875 MB of memory in use. ENERGY: 1736400 663.7366 1840.9961 1950.2965 102.0702 3.6505 -1089.3262 0.0000 0.0000 2731.8558 6203.2795 301.7411 3471.4237 6234.4217 300.3848 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: 6978.27, 0.00391269/step Wall: 6978.27, 0.00391269/step, 0.829708 hours remaining, 115.046875 MB of memory in use. ENERGY: 1736600 678.0916 1872.0826 1959.0375 102.7745 2.5556 -1080.0465 0.0000 0.0000 2715.9127 6250.4080 299.9801 3534.4953 6280.9666 301.2445 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: 6979.06, 0.00390951/step Wall: 6979.06, 0.00390951/step, 0.828815 hours remaining, 115.046875 MB of memory in use. ENERGY: 1736800 661.0842 1845.3602 1947.8879 103.0154 2.4691 -1038.0793 0.0000 0.0000 2760.9754 6282.7130 304.9574 3521.7376 6316.7453 304.5283 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: 6979.84, 0.00391496/step Wall: 6979.84, 0.00391496/step, 0.829754 hours remaining, 115.046875 MB of memory in use. ENERGY: 1737000 657.6867 1865.6369 1966.3948 90.1843 2.3937 -1065.5322 0.0000 0.0000 2709.3347 6226.0989 299.2536 3516.7642 6255.0157 303.0779 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: 6980.62, 0.00391747/step Wall: 6980.62, 0.00391747/step, 0.830068 hours remaining, 115.046875 MB of memory in use. ENERGY: 1737200 637.4140 1826.5464 1963.2791 113.4319 3.5883 -1074.7060 0.0000 0.0000 2752.1544 6221.7081 303.9831 3469.5538 6254.0763 302.1170 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: 6981.41, 0.00391503/step Wall: 6981.41, 0.00391503/step, 0.829334 hours remaining, 115.046875 MB of memory in use. ENERGY: 1737400 672.2463 1851.6008 1960.3056 104.4922 4.0275 -1078.6998 0.0000 0.0000 2706.3690 6220.3417 298.9260 3513.9726 6255.2611 301.7662 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: 6982.19, 0.00390822/step Wall: 6982.19, 0.00390822/step, 0.827674 hours remaining, 115.046875 MB of memory in use. ENERGY: 1737600 630.2815 1901.3705 1978.2184 104.9280 2.5719 -1075.2118 0.0000 0.0000 2719.0590 6261.2174 300.3276 3542.1584 6295.6781 302.5976 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: 6982.97, 0.0039166/step Wall: 6982.97, 0.0039166/step, 0.829231 hours remaining, 115.046875 MB of memory in use. ENERGY: 1737800 667.4861 1879.9192 1997.3041 103.2022 2.5496 -1093.4103 0.0000 0.0000 2683.0023 6240.0534 296.3451 3557.0510 6273.8561 301.2501 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: 6983.75, 0.00391626/step Wall: 6983.75, 0.00391626/step, 0.828941 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1738000 623.6140 1824.7459 1966.0290 106.7747 2.0443 -1062.6861 0.0000 0.0000 2747.3883 6207.9102 303.4567 3460.5219 6242.6502 301.2192 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: 6984.54, 0.00392162/step Wall: 6984.54, 0.00392162/step, 0.829859 hours remaining, 115.046875 MB of memory in use. ENERGY: 1738200 637.1959 1865.0829 1935.5845 112.3302 1.9661 -1083.0110 0.0000 0.0000 2780.4738 6249.6224 307.1111 3469.1486 6285.2669 300.8983 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: 6985.32, 0.00391405/step Wall: 6985.32, 0.00391405/step, 0.828039 hours remaining, 115.046875 MB of memory in use. ENERGY: 1738400 668.0013 1881.5461 1980.4824 109.3280 2.6146 -1067.3527 0.0000 0.0000 2700.7813 6275.4010 298.3088 3574.6197 6306.1147 301.9970 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: 6986.1, 0.00390776/step Wall: 6986.1, 0.00390776/step, 0.82649 hours remaining, 115.046875 MB of memory in use. ENERGY: 1738600 666.4937 1798.7786 1984.4227 105.0205 1.9739 -1057.8963 0.0000 0.0000 2788.9501 6287.7431 308.0473 3498.7930 6320.9598 303.2931 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: 6986.89, 0.00391557/step Wall: 6986.89, 0.00391557/step, 0.827924 hours remaining, 115.046875 MB of memory in use. ENERGY: 1738800 650.4187 1889.2665 1949.0874 117.9212 2.5098 -1107.9023 0.0000 0.0000 2775.0875 6276.3888 306.5161 3501.3012 6308.9678 304.2308 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: 6987.67, 0.00391497/step Wall: 6987.67, 0.00391497/step, 0.82758 hours remaining, 115.046875 MB of memory in use. ENERGY: 1739000 653.0442 1835.8429 1944.4488 94.0585 3.4166 -1102.5379 0.0000 0.0000 2771.9147 6200.1879 306.1657 3428.2732 6233.8152 303.5367 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: 6988.45, 0.00391694/step Wall: 6988.45, 0.00391694/step, 0.82778 hours remaining, 115.046875 MB of memory in use. ENERGY: 1739200 655.4786 1811.5249 1987.1993 103.3455 3.5727 -1067.2713 0.0000 0.0000 2755.6131 6249.4628 304.3651 3493.8498 6281.8993 301.7878 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: 6989.23, 0.0039061/step Wall: 6989.23, 0.0039061/step, 0.825272 hours remaining, 115.046875 MB of memory in use. ENERGY: 1739400 686.6134 1809.1628 1988.8255 108.4752 2.0158 -1126.9969 0.0000 0.0000 2740.0387 6208.1345 302.6449 3468.0958 6240.2388 301.9979 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: 6990.02, 0.0039132/step Wall: 6990.02, 0.00391319/step, 0.826553 hours remaining, 115.046875 MB of memory in use. ENERGY: 1739600 640.1867 1802.6096 1976.3611 98.1373 3.4538 -1095.2113 0.0000 0.0000 2701.6100 6127.1472 298.4004 3425.5372 6159.2235 299.1658 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: 6990.8, 0.00391442/step Wall: 6990.8, 0.00391443/step, 0.826596 hours remaining, 115.046875 MB of memory in use. ENERGY: 1739800 649.8659 1805.6823 1926.1131 96.0565 4.0063 -1091.5592 0.0000 0.0000 2708.7553 6098.9203 299.1896 3390.1650 6132.9817 294.7301 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: 6991.58, 0.00391329/step Wall: 6991.58, 0.00391329/step, 0.82614 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1740000 638.3766 1804.2123 1938.3427 106.3119 3.8646 -1111.5719 0.0000 0.0000 2740.8664 6120.4026 302.7363 3379.5362 6153.1852 296.6641 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1740000 WRITING COORDINATES TO DCD FILE MD.1.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: 6992.4, 0.00406677/step Wall: 6992.4, 0.00406677/step, 0.858313 hours remaining, 115.046875 MB of memory in use. ENERGY: 1740200 625.3884 1808.5111 1950.4982 104.9309 2.8836 -1101.8243 0.0000 0.0000 2734.2376 6124.6257 302.0042 3390.3880 6159.0540 296.9350 LDB: ============= START OF LOAD BALANCING ============== 6995.1 LDB: ============== END OF LOAD BALANCING =============== 6995.1 LDB: =============== DONE WITH MIGRATION ================ 6995.1 LDB: ============= START OF LOAD BALANCING ============== 6995.49 LDB: ============== END OF LOAD BALANCING =============== 6995.49 LDB: =============== DONE WITH MIGRATION ================ 6995.49 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: 6993.18, 0.00391144/step Wall: 6993.18, 0.00391144/step, 0.825313 hours remaining, 115.046875 MB of memory in use. ENERGY: 1740400 655.7245 1867.9101 1964.9443 112.5952 2.1680 -1115.4405 0.0000 0.0000 2677.6874 6165.5889 295.7580 3487.9016 6198.1437 298.6805 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: 6993.96, 0.00391353/step Wall: 6993.96, 0.00391353/step, 0.825537 hours remaining, 115.046875 MB of memory in use. ENERGY: 1740600 667.0605 1861.7612 1962.7412 91.4860 0.7533 -1145.7104 0.0000 0.0000 2724.4513 6162.5431 300.9232 3438.0917 6197.2339 300.2694 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: 6994.74, 0.00391369/step Wall: 6994.74, 0.00391369/step, 0.825354 hours remaining, 115.046875 MB of memory in use. ENERGY: 1740800 675.5748 1846.9013 1922.4542 101.3526 2.2996 -1067.4592 0.0000 0.0000 2683.2211 6164.3444 296.3692 3481.1233 6195.8783 298.7000 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: 6995.53, 0.00391123/step Wall: 6995.53, 0.00391123/step, 0.824619 hours remaining, 115.046875 MB of memory in use. ENERGY: 1741000 671.2774 1836.6886 1967.8498 122.7326 2.3405 -1099.8509 0.0000 0.0000 2701.7802 6202.8183 298.4191 3501.0381 6235.2789 301.3699 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: 6996.31, 0.00391147/step Wall: 6996.31, 0.00391147/step, 0.824452 hours remaining, 115.046875 MB of memory in use. ENERGY: 1741200 661.5367 1906.2347 1937.8317 111.6704 2.3059 -1156.9892 0.0000 0.0000 2690.5791 6153.1692 297.1820 3462.5901 6187.7180 300.4666 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: 6997.09, 0.0039037/step Wall: 6997.09, 0.0039037/step, 0.822596 hours remaining, 115.046875 MB of memory in use. ENERGY: 1741400 644.9416 1823.6630 1959.8360 117.1920 1.8018 -1139.6108 0.0000 0.0000 2724.0420 6131.8654 300.8780 3407.8234 6165.2071 297.7118 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: 6997.87, 0.00391111/step Wall: 6997.87, 0.00391111/step, 0.82394 hours remaining, 115.046875 MB of memory in use. ENERGY: 1741600 624.4705 1841.2476 1950.9392 106.4668 2.0408 -1123.6065 0.0000 0.0000 2706.8250 6108.3834 298.9764 3401.5585 6144.6834 296.6010 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: 6998.65, 0.00391982/step Wall: 6998.65, 0.00391982/step, 0.825558 hours remaining, 115.046875 MB of memory in use. ENERGY: 1741800 659.7497 1848.6102 1949.2324 114.9564 3.2127 -1116.7011 0.0000 0.0000 2659.9405 6119.0008 293.7978 3459.0603 6151.6835 295.9227 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: 6999.44, 0.0039107/step Wall: 6999.44, 0.0039107/step, 0.823421 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1742000 642.4725 1781.2355 1984.2811 103.7267 2.6888 -1136.2389 0.0000 0.0000 2684.5294 6062.6951 296.5137 3378.1657 6097.9792 295.9765 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: 7000.22, 0.00390546/step Wall: 7000.22, 0.00390546/step, 0.8221 hours remaining, 115.046875 MB of memory in use. ENERGY: 1742200 625.4607 1809.2019 1951.2564 104.7674 3.4375 -1113.0084 0.0000 0.0000 2721.2211 6102.3365 300.5664 3381.1154 6135.2970 294.7355 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: 7001, 0.00391372/step Wall: 7001, 0.00391372/step, 0.823621 hours remaining, 115.046875 MB of memory in use. ENERGY: 1742400 660.3140 1868.8222 1958.9623 105.5429 2.5984 -1083.2043 0.0000 0.0000 2640.7597 6153.7951 291.6793 3513.0354 6187.0316 296.2764 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: 7001.78, 0.00391047/step Wall: 7001.78, 0.00391047/step, 0.82272 hours remaining, 115.046875 MB of memory in use. ENERGY: 1742600 676.6381 1815.9696 1963.2809 105.3035 3.4844 -1129.1353 0.0000 0.0000 2693.7647 6129.3059 297.5338 3435.5411 6162.7793 297.6051 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: 7002.57, 0.00391179/step Wall: 7002.57, 0.00391179/step, 0.82278 hours remaining, 115.046875 MB of memory in use. ENERGY: 1742800 658.5868 1763.5532 1961.6536 102.6405 2.1639 -1078.8376 0.0000 0.0000 2671.2758 6081.0361 295.0499 3409.7603 6114.6121 295.2663 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: 7003.35, 0.00391118/step Wall: 7003.35, 0.00391118/step, 0.822435 hours remaining, 115.046875 MB of memory in use. ENERGY: 1743000 615.3396 1843.4618 1924.4042 118.2385 2.4523 -1086.9562 0.0000 0.0000 2677.2543 6094.1944 295.7102 3416.9401 6129.0716 295.3295 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: 7004.13, 0.00390478/step Wall: 7004.13, 0.00390478/step, 0.820872 hours remaining, 115.046875 MB of memory in use. ENERGY: 1743200 651.4218 1837.8373 1956.2569 110.7789 1.8549 -1131.5030 0.0000 0.0000 2654.5983 6081.2452 293.2078 3426.6469 6112.6304 295.6023 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: 7004.91, 0.00391198/step Wall: 7004.91, 0.00391198/step, 0.822168 hours remaining, 115.046875 MB of memory in use. ENERGY: 1743400 681.9270 1885.5310 1962.5028 108.1805 2.0890 -1140.3629 0.0000 0.0000 2669.3743 6169.2416 294.8398 3499.8673 6202.9726 296.5688 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: 7005.69, 0.00391172/step Wall: 7005.69, 0.00391172/step, 0.821896 hours remaining, 115.046875 MB of memory in use. ENERGY: 1743600 615.7122 1865.0447 1975.7205 114.6908 1.4152 -1110.8968 0.0000 0.0000 2766.9516 6228.6382 305.6175 3461.6866 6264.2837 302.7567 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: 7006.48, 0.00391341/step Wall: 7006.48, 0.00391341/step, 0.822034 hours remaining, 115.046875 MB of memory in use. ENERGY: 1743800 635.9293 1868.0094 1943.6299 109.5427 3.0499 -1083.5788 0.0000 0.0000 2758.6206 6235.2029 304.6973 3476.5823 6269.6904 300.7949 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: 7007.26, 0.00390611/step Wall: 7007.26, 0.00390611/step, 0.820283 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1744000 651.3942 1824.3961 1973.7791 103.6897 3.0320 -1126.5244 0.0000 0.0000 2764.5168 6194.2836 305.3486 3429.7668 6229.1540 301.1253 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: 7008.04, 0.00391162/step Wall: 7008.04, 0.00391162/step, 0.821223 hours remaining, 115.046875 MB of memory in use. ENERGY: 1744200 720.3943 1842.4637 1983.2185 112.9806 2.3934 -1144.6105 0.0000 0.0000 2681.6430 6198.4831 296.1949 3516.8401 6229.9155 300.6944 LDB: ============= START OF LOAD BALANCING ============== 7010.74 LDB: ============== END OF LOAD BALANCING =============== 7011.35 LDB: =============== DONE WITH MIGRATION ================ 7011.35 LDB: ============= START OF LOAD BALANCING ============== 7011.75 LDB: ============== END OF LOAD BALANCING =============== 7011.75 LDB: =============== DONE WITH MIGRATION ================ 7011.75 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: 7009.44, 0.00700137/step Wall: 7009.44, 0.00700137/step, 1.46951 hours remaining, 115.046875 MB of memory in use. ENERGY: 1744400 643.2983 1832.7579 1944.5254 114.2057 2.0426 -1099.8535 0.0000 0.0000 2688.8899 6125.8663 296.9954 3436.9764 6158.2360 296.8487 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: 7010.22, 0.00390432/step Wall: 7010.22, 0.00390432/step, 0.819257 hours remaining, 115.046875 MB of memory in use. ENERGY: 1744600 651.8614 1817.8601 1943.2071 104.9976 2.7105 -1112.4958 0.0000 0.0000 2731.6434 6139.7843 301.7176 3408.1409 6173.3556 297.6073 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: 7011, 0.00391059/step Wall: 7011, 0.00391059/step, 0.820355 hours remaining, 115.046875 MB of memory in use. ENERGY: 1744800 643.2733 1854.7599 1945.5133 105.0978 2.1057 -1079.1385 0.0000 0.0000 2660.3374 6131.9488 293.8417 3471.6114 6164.4039 296.6627 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: 7011.78, 0.00391045/step Wall: 7011.78, 0.00391045/step, 0.820108 hours remaining, 115.046875 MB of memory in use. ENERGY: 1745000 680.1718 1844.5394 1937.3479 118.4909 2.6418 -1130.5204 0.0000 0.0000 2660.6524 6113.3239 293.8765 3452.6714 6147.3240 296.5950 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: 7012.57, 0.00391082/step Wall: 7012.57, 0.00391082/step, 0.819968 hours remaining, 115.046875 MB of memory in use. ENERGY: 1745200 654.4016 1855.8747 1937.3609 121.3371 2.1434 -1102.7264 0.0000 0.0000 2697.8096 6166.2009 297.9806 3468.3913 6197.6724 296.7639 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: 7013.35, 0.00391039/step Wall: 7013.35, 0.00391039/step, 0.81966 hours remaining, 115.046875 MB of memory in use. ENERGY: 1745400 642.1913 1864.6722 1946.8602 109.3159 2.9979 -1097.6438 0.0000 0.0000 2709.4092 6177.8030 299.2618 3468.3939 6209.5495 297.8771 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: 7014.13, 0.00390345/step Wall: 7014.13, 0.00390345/step, 0.817991 hours remaining, 115.046875 MB of memory in use. ENERGY: 1745600 650.5152 1840.1040 1937.9108 100.9652 3.0396 -1077.1607 0.0000 0.0000 2722.1911 6177.5653 300.6736 3455.3742 6211.0810 297.9189 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: 7014.91, 0.00391146/step Wall: 7014.91, 0.00391146/step, 0.81945 hours remaining, 115.046875 MB of memory in use. ENERGY: 1745800 642.8418 1832.2089 1954.9426 99.2239 1.8152 -1094.5879 0.0000 0.0000 2741.0773 6177.5218 302.7596 3436.4445 6210.5872 299.9935 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: 7015.69, 0.00391046/step Wall: 7015.69, 0.00391046/step, 0.819024 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1746000 657.2181 1899.7862 1952.0741 104.1158 1.7541 -1133.6989 0.0000 0.0000 2697.4809 6178.7302 297.9443 3481.2493 6212.7138 300.3930 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: 7016.48, 0.00391224/step Wall: 7016.48, 0.00391224/step, 0.81918 hours remaining, 115.046875 MB of memory in use. ENERGY: 1746200 681.2970 1884.2423 1960.7884 104.6690 2.3815 -1093.0320 0.0000 0.0000 2711.5346 6251.8807 299.4966 3540.3461 6288.4115 300.7968 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: 7017.26, 0.00390306/step Wall: 7017.26, 0.00390305/step, 0.817039 hours remaining, 115.046875 MB of memory in use. ENERGY: 1746400 689.5885 1814.5908 1947.9305 103.4270 3.1417 -1127.1438 0.0000 0.0000 2769.1550 6200.6897 305.8609 3431.5348 6236.0544 303.7748 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: 7018.04, 0.00391058/step Wall: 7018.04, 0.00391059/step, 0.818399 hours remaining, 115.046875 MB of memory in use. ENERGY: 1746600 671.5199 1855.7274 1964.4706 110.0196 2.6801 -1091.7219 0.0000 0.0000 2731.4686 6244.1642 301.6983 3512.6956 6274.3678 301.4618 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: 7018.82, 0.00391304/step Wall: 7018.82, 0.00391304/step, 0.818695 hours remaining, 115.046875 MB of memory in use. ENERGY: 1746800 648.7297 1851.7599 1957.6833 96.3011 2.3604 -1107.6606 0.0000 0.0000 2760.9774 6210.1512 304.9576 3449.1738 6241.4989 303.2177 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: 7019.6, 0.00390953/step Wall: 7019.6, 0.00390953/step, 0.817743 hours remaining, 115.046875 MB of memory in use. ENERGY: 1747000 651.8986 1815.9221 1973.6323 106.8585 2.4819 -1108.6001 0.0000 0.0000 2739.8502 6182.0435 302.6241 3442.1933 6214.3124 300.5588 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: 7020.39, 0.00391247/step Wall: 7020.39, 0.00391247/step, 0.818141 hours remaining, 115.046875 MB of memory in use. ENERGY: 1747200 670.5343 1817.1501 1966.4023 104.3943 3.0489 -1085.1353 0.0000 0.0000 2737.2176 6213.6121 302.3333 3476.3946 6246.0766 301.4354 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: 7021.17, 0.0039043/step Wall: 7021.17, 0.0039043/step, 0.816215 hours remaining, 115.046875 MB of memory in use. ENERGY: 1747400 652.8418 1841.8495 1986.3955 101.2916 1.9899 -1093.9520 0.0000 0.0000 2686.2178 6176.6341 296.7002 3490.4163 6211.6433 299.7030 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: 7021.95, 0.00391108/step Wall: 7021.95, 0.00391108/step, 0.817417 hours remaining, 115.046875 MB of memory in use. ENERGY: 1747600 643.8608 1881.8535 1973.0041 110.7353 0.8305 -1118.3652 0.0000 0.0000 2705.9541 6197.8731 298.8802 3491.9190 6230.8554 298.3749 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: 7022.73, 0.0039134/step Wall: 7022.73, 0.0039134/step, 0.817683 hours remaining, 115.046875 MB of memory in use. ENERGY: 1747800 633.4531 1894.6763 1972.9605 103.9174 1.8371 -1108.3768 0.0000 0.0000 2715.4886 6213.9562 299.9333 3498.4676 6246.8860 299.6258 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: 7023.51, 0.00391147/step Wall: 7023.51, 0.00391147/step, 0.817064 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1748000 660.9852 1836.7633 1967.1724 113.1197 1.9711 -1065.3147 0.0000 0.0000 2736.3150 6251.0120 302.2336 3514.6970 6283.3296 301.5470 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: 7024.29, 0.00390462/step Wall: 7024.29, 0.00390462/step, 0.815414 hours remaining, 115.046875 MB of memory in use. ENERGY: 1748200 667.4563 1901.6260 1965.5529 123.1204 2.1536 -1075.0890 0.0000 0.0000 2665.0276 6249.8478 294.3597 3584.8202 6279.9016 301.7775 LDB: ============= START OF LOAD BALANCING ============== 7027 LDB: ============== END OF LOAD BALANCING =============== 7027 LDB: =============== DONE WITH MIGRATION ================ 7027 LDB: ============= START OF LOAD BALANCING ============== 7027.39 LDB: ============== END OF LOAD BALANCING =============== 7027.39 LDB: =============== DONE WITH MIGRATION ================ 7027.39 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: 7025.08, 0.00391671/step Wall: 7025.08, 0.00391671/step, 0.817723 hours remaining, 115.046875 MB of memory in use. ENERGY: 1748400 627.6488 1907.5844 1960.6930 116.6429 1.7125 -1097.5525 0.0000 0.0000 2724.3141 6241.0433 300.9081 3516.7292 6276.9143 301.4303 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: 7025.86, 0.00391128/step Wall: 7025.86, 0.00391128/step, 0.81637 hours remaining, 115.046875 MB of memory in use. ENERGY: 1748600 646.8517 1832.5619 1950.2326 109.6394 2.7985 -1091.2682 0.0000 0.0000 2734.3556 6185.1714 302.0172 3450.8158 6218.0511 300.1785 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: 7026.64, 0.00391421/step Wall: 7026.64, 0.00391422/step, 0.816767 hours remaining, 115.046875 MB of memory in use. ENERGY: 1748800 658.2475 1866.6520 1964.8108 109.6333 2.8561 -1071.8683 0.0000 0.0000 2689.0683 6219.3997 297.0151 3530.3313 6251.9139 300.5559 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: 7027.43, 0.00391105/step Wall: 7027.43, 0.00391105/step, 0.815888 hours remaining, 115.046875 MB of memory in use. ENERGY: 1749000 646.7020 1873.7402 1940.7770 109.2341 3.4128 -1072.5441 0.0000 0.0000 2767.8156 6269.1375 305.7129 3501.3219 6303.3008 301.2717 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: 7028.21, 0.00390448/step Wall: 7028.21, 0.00390448/step, 0.814302 hours remaining, 115.046875 MB of memory in use. ENERGY: 1749200 648.8936 1902.2077 1941.8956 106.1751 0.4149 -1067.4916 0.0000 0.0000 2667.4686 6199.5639 294.6293 3532.0953 6232.8278 301.3743 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: 7028.99, 0.00392679/step Wall: 7028.99, 0.00392679/step, 0.818736 hours remaining, 115.046875 MB of memory in use. ENERGY: 1749400 674.5362 1866.1510 1948.0135 101.1842 0.4520 -1090.8396 0.0000 0.0000 2718.4050 6217.9021 300.2554 3499.4972 6249.6902 299.5116 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: 7029.78, 0.00391705/step Wall: 7029.78, 0.00391705/step, 0.816486 hours remaining, 115.046875 MB of memory in use. ENERGY: 1749600 653.7153 1883.1707 1959.8283 118.4913 2.4423 -1090.1704 0.0000 0.0000 2665.6766 6193.1541 294.4314 3527.4775 6224.9449 300.8921 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: 7030.56, 0.00391659/step Wall: 7030.56, 0.00391659/step, 0.816175 hours remaining, 115.046875 MB of memory in use. ENERGY: 1749800 640.5858 1879.4439 1941.6189 122.8438 3.2281 -1099.6723 0.0000 0.0000 2691.2061 6179.2543 297.2512 3488.0482 6212.2962 299.1139 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: 7031.34, 0.00391108/step Wall: 7031.34, 0.00391108/step, 0.814808 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1750000 698.2584 1815.4064 1932.8619 116.9244 1.6825 -1122.0087 0.0000 0.0000 2696.2423 6139.3672 297.8075 3443.1249 6172.7852 297.3470 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1750000 WRITING COORDINATES TO DCD FILE MD.1.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: 7033.54, 0.0110145/step Wall: 7033.54, 0.0110145/step, 2.29408 hours remaining, 115.046875 MB of memory in use. ENERGY: 1750200 658.6444 1798.5832 1978.4118 115.3171 3.0343 -1085.3779 0.0000 0.0000 2711.9965 6180.6094 299.5476 3468.6128 6216.3155 297.7994 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: 7034.32, 0.00390107/step Wall: 7034.32, 0.00390107/step, 0.81229 hours remaining, 115.046875 MB of memory in use. ENERGY: 1750400 647.5203 1829.7111 1996.6540 99.1716 2.8738 -1092.1175 0.0000 0.0000 2686.1549 6169.9682 296.6933 3483.8133 6205.9452 297.2580 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: 7035.1, 0.00390519/step Wall: 7035.1, 0.00390519/step, 0.81293 hours remaining, 115.046875 MB of memory in use. ENERGY: 1750600 641.0759 1818.3639 1974.4212 102.4022 1.0642 -1104.2914 0.0000 0.0000 2744.4760 6177.5120 303.1350 3433.0360 6213.2530 297.7066 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: 7035.89, 0.00390808/step Wall: 7035.89, 0.00390808/step, 0.813315 hours remaining, 115.046875 MB of memory in use. ENERGY: 1750800 682.0710 1820.7128 1943.7411 121.2718 0.9973 -1119.1655 0.0000 0.0000 2701.3648 6150.9932 298.3733 3449.6285 6184.9360 297.7567 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: 7036.67, 0.00391043/step Wall: 7036.67, 0.00391043/step, 0.813587 hours remaining, 115.046875 MB of memory in use. ENERGY: 1751000 653.3843 1847.8486 2001.3311 108.3362 4.5116 -1140.1533 0.0000 0.0000 2699.8804 6175.1388 298.2093 3475.2585 6209.8935 299.0994 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: 7037.45, 0.00392078/step Wall: 7037.45, 0.00392078/step, 0.815522 hours remaining, 115.046875 MB of memory in use. ENERGY: 1751200 627.4689 1882.2520 1950.9019 106.8139 1.8834 -1112.9422 0.0000 0.0000 2727.7230 6184.1008 301.2846 3456.3779 6219.0184 298.3377 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: 7038.23, 0.00390465/step Wall: 7038.23, 0.00390465/step, 0.81195 hours remaining, 115.046875 MB of memory in use. ENERGY: 1751400 681.7904 1906.4433 1994.9347 115.4236 1.2236 -1134.6953 0.0000 0.0000 2680.9345 6246.0549 296.1167 3565.1203 6280.9975 300.7572 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: 7039.02, 0.00391299/step Wall: 7039.02, 0.00391299/step, 0.813466 hours remaining, 115.046875 MB of memory in use. ENERGY: 1751600 655.1921 1832.3656 1979.3831 115.5393 2.3559 -1071.1935 0.0000 0.0000 2752.7696 6266.4121 304.0511 3513.6425 6297.8394 303.1832 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: 7039.8, 0.00391006/step Wall: 7039.8, 0.00391006/step, 0.81264 hours remaining, 115.046875 MB of memory in use. ENERGY: 1751800 648.4732 1828.1739 1966.2818 104.3383 2.3412 -1076.6051 0.0000 0.0000 2791.1422 6264.1456 308.2894 3473.0034 6300.6049 303.1112 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: 7040.58, 0.00390919/step Wall: 7040.58, 0.00390919/step, 0.812243 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1752000 678.8039 1843.0328 1939.0238 105.8587 2.2810 -1096.4681 0.0000 0.0000 2749.6440 6222.1762 303.7058 3472.5322 6256.2585 300.7352 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: 7041.36, 0.00390926/step Wall: 7041.36, 0.00390926/step, 0.812039 hours remaining, 115.046875 MB of memory in use. ENERGY: 1752200 608.2582 1836.3811 1962.8362 106.3986 1.1634 -1074.9998 0.0000 0.0000 2780.0514 6220.0892 307.0644 3440.0378 6256.0259 300.3310 LDB: ============= START OF LOAD BALANCING ============== 7044.06 LDB: ============== END OF LOAD BALANCING =============== 7044.06 LDB: =============== DONE WITH MIGRATION ================ 7044.06 LDB: ============= START OF LOAD BALANCING ============== 7044.45 LDB: ============== END OF LOAD BALANCING =============== 7044.45 LDB: =============== DONE WITH MIGRATION ================ 7044.45 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: 7042.14, 0.00390995/step Wall: 7042.14, 0.00390995/step, 0.811965 hours remaining, 115.046875 MB of memory in use. ENERGY: 1752400 619.6279 1889.3256 1952.5404 104.7348 1.2195 -1082.4597 0.0000 0.0000 2716.5409 6201.5295 300.0495 3484.9886 6235.6177 300.2410 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: 7042.93, 0.00391126/step Wall: 7042.93, 0.00391126/step, 0.812022 hours remaining, 115.046875 MB of memory in use. ENERGY: 1752600 679.6414 1845.6877 1955.4826 108.8630 1.2095 -1072.2849 0.0000 0.0000 2706.0998 6224.6990 298.8963 3518.5992 6254.9431 300.3200 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: 7043.71, 0.00391066/step Wall: 7043.71, 0.00391066/step, 0.811679 hours remaining, 115.046875 MB of memory in use. ENERGY: 1752800 651.0012 1870.2472 1948.2227 98.2533 1.0115 -1072.7765 0.0000 0.0000 2785.1166 6281.0761 307.6239 3495.9595 6315.2218 302.9992 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: 7044.49, 0.00391098/step Wall: 7044.49, 0.00391098/step, 0.811528 hours remaining, 115.046875 MB of memory in use. ENERGY: 1753000 709.3545 1904.7768 1969.3511 106.3696 1.9876 -1129.2788 0.0000 0.0000 2699.9154 6262.4762 298.2132 3562.5608 6294.4736 305.1627 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: 7045.27, 0.00390261/step Wall: 7045.27, 0.00390261/step, 0.809576 hours remaining, 115.046875 MB of memory in use. ENERGY: 1753200 663.3864 1845.5504 2005.1631 102.8271 2.9881 -1134.4361 0.0000 0.0000 2730.6808 6216.1599 301.6113 3485.4792 6249.9348 301.8362 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: 7046.05, 0.0039094/step Wall: 7046.05, 0.0039094/step, 0.810766 hours remaining, 115.046875 MB of memory in use. ENERGY: 1753400 633.6898 1820.9470 1993.3310 112.2971 2.4333 -1079.4308 0.0000 0.0000 2730.2215 6213.4888 301.5606 3483.2673 6246.4709 301.7006 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: 7046.83, 0.00390915/step Wall: 7046.83, 0.00390915/step, 0.810497 hours remaining, 115.046875 MB of memory in use. ENERGY: 1753600 637.5979 1913.4146 1951.6512 99.6721 1.5108 -1106.3617 0.0000 0.0000 2751.6953 6249.1801 303.9324 3497.4848 6284.4579 301.1077 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: 7047.62, 0.00391086/step Wall: 7047.62, 0.00391086/step, 0.810635 hours remaining, 115.046875 MB of memory in use. ENERGY: 1753800 634.1734 1848.6906 1952.6378 110.6292 2.1564 -1093.4340 0.0000 0.0000 2690.2835 6145.1369 297.1493 3454.8534 6178.0345 300.3749 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: 7048.4, 0.00391011/step Wall: 7048.4, 0.00391011/step, 0.810263 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1754000 645.5543 1798.1821 1961.9903 106.5083 2.2641 -1101.9909 0.0000 0.0000 2745.3184 6157.8266 303.2281 3412.5082 6191.8477 299.2999 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: 7049.18, 0.00390249/step Wall: 7049.18, 0.00390249/step, 0.808467 hours remaining, 115.046875 MB of memory in use. ENERGY: 1754200 639.2752 1842.6496 1962.8258 104.5914 2.7307 -1119.7065 0.0000 0.0000 2761.6478 6194.0141 305.0317 3432.3662 6226.7072 299.0490 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: 7049.96, 0.00390945/step Wall: 7049.96, 0.00390945/step, 0.80969 hours remaining, 115.046875 MB of memory in use. ENERGY: 1754400 686.5263 1864.6515 1961.0429 103.9631 3.1952 -1111.8782 0.0000 0.0000 2687.3441 6194.8449 296.8246 3507.5008 6227.0577 299.9809 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: 7050.74, 0.0039116/step Wall: 7050.74, 0.0039116/step, 0.809918 hours remaining, 115.046875 MB of memory in use. ENERGY: 1754600 677.7464 1884.5342 1927.1969 104.8706 2.9264 -1106.7643 0.0000 0.0000 2696.6671 6187.1773 297.8544 3490.5102 6221.0869 300.9601 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: 7051.53, 0.00391129/step Wall: 7051.53, 0.00391129/step, 0.809636 hours remaining, 115.046875 MB of memory in use. ENERGY: 1754800 665.8567 1894.9828 1976.9505 96.7748 2.8680 -1145.5007 0.0000 0.0000 2694.0761 6186.0081 297.5682 3491.9321 6218.9254 301.2439 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: 7052.31, 0.00390373/step Wall: 7052.31, 0.00390373/step, 0.807855 hours remaining, 115.046875 MB of memory in use. ENERGY: 1755000 642.0263 1823.5275 1969.8983 120.3736 2.2208 -1144.3097 0.0000 0.0000 2723.1265 6136.8632 300.7769 3413.7367 6169.9117 299.0728 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: 7053.09, 0.00391365/step Wall: 7053.09, 0.00391365/step, 0.809691 hours remaining, 115.046875 MB of memory in use. ENERGY: 1755200 638.0880 1875.4674 1935.2895 103.7822 2.7990 -1120.9132 0.0000 0.0000 2723.1466 6157.6595 300.7791 3434.5129 6191.8481 298.2200 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: 7053.87, 0.00390994/step Wall: 7053.87, 0.00390994/step, 0.808707 hours remaining, 115.046875 MB of memory in use. ENERGY: 1755400 650.8285 1892.7287 1950.1452 105.6269 1.9762 -1137.9797 0.0000 0.0000 2674.4562 6137.7820 295.4011 3463.3257 6170.5599 297.9942 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: 7054.65, 0.00391114/step Wall: 7054.65, 0.00391114/step, 0.808736 hours remaining, 115.046875 MB of memory in use. ENERGY: 1755600 633.6683 1868.8879 1943.0042 110.2363 2.4961 -1077.2361 0.0000 0.0000 2683.8508 6164.9076 296.4388 3481.0568 6195.9595 298.6999 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: 7055.44, 0.00390869/step Wall: 7055.44, 0.00390869/step, 0.808014 hours remaining, 115.046875 MB of memory in use. ENERGY: 1755800 672.0535 1861.9090 1939.1729 109.9410 1.9085 -1075.4015 0.0000 0.0000 2700.7380 6210.3215 298.3040 3509.5835 6243.1307 299.3922 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: 7056.22, 0.00390347/step Wall: 7056.22, 0.00390347/step, 0.806716 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1756000 676.8377 1848.6062 1991.7975 112.3415 2.3833 -1111.1860 0.0000 0.0000 2718.7612 6239.5413 300.2947 3520.7801 6274.0493 301.5992 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: 7057, 0.0039115/step Wall: 7057, 0.0039115/step, 0.808158 hours remaining, 115.046875 MB of memory in use. ENERGY: 1756200 659.2515 1768.4749 1965.0421 102.7265 1.8817 -1092.5285 0.0000 0.0000 2750.6271 6155.4753 303.8144 3404.8482 6186.7651 299.2827 LDB: ============= START OF LOAD BALANCING ============== 7059.7 LDB: ============== END OF LOAD BALANCING =============== 7059.7 LDB: =============== DONE WITH MIGRATION ================ 7059.7 LDB: ============= START OF LOAD BALANCING ============== 7060.09 LDB: ============== END OF LOAD BALANCING =============== 7060.09 LDB: =============== DONE WITH MIGRATION ================ 7060.09 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: 7057.78, 0.00391573/step Wall: 7057.78, 0.00391573/step, 0.808816 hours remaining, 115.046875 MB of memory in use. ENERGY: 1756400 657.7870 1844.8293 1947.8054 121.9630 2.3295 -1037.6623 0.0000 0.0000 2662.4594 6199.5114 294.0761 3537.0520 6230.4117 299.3835 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: 7058.56, 0.00391052/step Wall: 7058.56, 0.00391052/step, 0.807522 hours remaining, 115.046875 MB of memory in use. ENERGY: 1756600 647.4386 1804.8116 1943.2427 113.5025 1.6659 -1040.4213 0.0000 0.0000 2648.1074 6118.3473 292.4908 3470.2399 6151.4570 295.4192 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: 7059.34, 0.00390427/step Wall: 7059.34, 0.00390427/step, 0.806014 hours remaining, 115.046875 MB of memory in use. ENERGY: 1756800 641.9464 1801.3787 1932.7113 113.6852 2.9132 -1100.3721 0.0000 0.0000 2659.4373 6051.7000 293.7423 3392.2628 6082.8621 292.5580 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: 7060.13, 0.00390903/step Wall: 7060.13, 0.00390903/step, 0.80678 hours remaining, 115.046875 MB of memory in use. ENERGY: 1757000 620.0403 1798.6511 1954.9032 99.2012 3.0279 -1086.4168 0.0000 0.0000 2665.5503 6054.9573 294.4175 3389.4069 6087.2677 291.9180 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: 7060.91, 0.00391155/step Wall: 7060.91, 0.00391155/step, 0.807082 hours remaining, 115.046875 MB of memory in use. ENERGY: 1757200 619.7602 1830.3520 1945.5357 111.5972 2.9323 -1105.0315 0.0000 0.0000 2658.0744 6063.2203 293.5917 3405.1459 6095.9446 293.5120 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: 7061.69, 0.00391059/step Wall: 7061.69, 0.00391059/step, 0.806669 hours remaining, 115.046875 MB of memory in use. ENERGY: 1757400 632.3942 1807.1133 1978.8924 97.3149 2.7265 -1128.0043 0.0000 0.0000 2685.2900 6075.7270 296.5978 3390.4370 6108.7702 294.1754 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: 7062.47, 0.00390959/step Wall: 7062.47, 0.00390959/step, 0.806244 hours remaining, 115.046875 MB of memory in use. ENERGY: 1757600 668.4006 1846.1436 1972.3320 98.7324 1.9563 -1131.9863 0.0000 0.0000 2613.8102 6069.3889 288.7026 3455.5787 6099.7319 293.9876 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: 7063.25, 0.00390323/step Wall: 7063.25, 0.00390323/step, 0.804715 hours remaining, 115.046875 MB of memory in use. ENERGY: 1757800 645.1388 1824.2201 1987.5821 109.2456 2.9277 -1142.2261 0.0000 0.0000 2658.0994 6084.9875 293.5945 3426.8881 6114.7203 293.8450 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: 7064.03, 0.00390755/step Wall: 7064.03, 0.00390755/step, 0.80539 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1758000 665.6068 1747.2723 1968.2408 111.2749 3.1167 -1079.9329 0.0000 0.0000 2678.8789 6094.4575 295.8896 3415.5786 6127.8236 293.7835 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: 7064.82, 0.0039059/step Wall: 7064.82, 0.0039059/step, 0.804832 hours remaining, 115.046875 MB of memory in use. ENERGY: 1758200 655.2269 1865.0142 1968.7645 105.7162 2.7543 -1103.1798 0.0000 0.0000 2641.2767 6135.5730 291.7364 3494.2963 6166.4042 295.3531 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: 7065.6, 0.00390724/step Wall: 7065.6, 0.00390724/step, 0.804892 hours remaining, 115.046875 MB of memory in use. ENERGY: 1758400 645.6113 1833.7176 1951.4976 113.6283 3.8776 -1091.0021 0.0000 0.0000 2672.0941 6129.4244 295.1402 3457.3303 6162.1505 297.8116 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: 7066.38, 0.00390387/step Wall: 7066.38, 0.00390387/step, 0.803979 hours remaining, 115.046875 MB of memory in use. ENERGY: 1758600 659.6773 1832.2336 1956.3736 111.2070 3.1968 -1119.8103 0.0000 0.0000 2724.2777 6167.1557 300.9041 3442.8780 6202.2835 297.2180 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: 7067.16, 0.00390851/step Wall: 7067.16, 0.00390851/step, 0.80472 hours remaining, 115.046875 MB of memory in use. ENERGY: 1758800 660.4806 1860.9680 1964.6813 103.7552 2.6580 -1116.1949 0.0000 0.0000 2674.1907 6150.5389 295.3718 3476.3482 6180.5911 296.5552 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: 7067.94, 0.00390774/step Wall: 7067.94, 0.00390774/step, 0.804343 hours remaining, 115.046875 MB of memory in use. ENERGY: 1759000 655.5032 1808.0826 1935.2862 117.4766 2.3007 -1078.2733 0.0000 0.0000 2680.2761 6120.6522 296.0440 3440.3760 6152.7262 297.3559 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: 7068.72, 0.00390833/step Wall: 7068.72, 0.00390834/step, 0.80425 hours remaining, 115.046875 MB of memory in use. ENERGY: 1759200 631.6272 1828.1230 1969.1027 99.1270 1.7479 -1071.8647 0.0000 0.0000 2657.0065 6114.8696 293.4738 3457.8631 6146.7725 294.5956 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: 7069.5, 0.00390689/step Wall: 7069.5, 0.00390689/step, 0.803734 hours remaining, 115.046875 MB of memory in use. ENERGY: 1759400 627.7150 1863.0148 1955.3881 110.8243 3.2744 -1121.4436 0.0000 0.0000 2690.4157 6129.1888 297.1639 3438.7731 6163.0575 296.3195 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: 7070.28, 0.00390184/step Wall: 7070.28, 0.00390184/step, 0.802479 hours remaining, 115.046875 MB of memory in use. ENERGY: 1759600 665.7081 1850.2453 1934.7065 102.5618 1.3653 -1089.8589 0.0000 0.0000 2718.2888 6183.0171 300.2426 3464.7282 6214.1146 298.5170 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: 7071.07, 0.00390686/step Wall: 7071.07, 0.00390686/step, 0.803294 hours remaining, 115.046875 MB of memory in use. ENERGY: 1759800 635.8532 1822.2756 1932.0215 109.4475 2.7073 -1032.5552 0.0000 0.0000 2798.0267 6267.7767 309.0498 3469.7500 6304.0704 302.8569 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: 7071.85, 0.00390697/step Wall: 7071.85, 0.00390697/step, 0.803099 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1760000 677.2625 1869.5845 1958.5803 104.7254 0.9033 -1096.7985 0.0000 0.0000 2739.3336 6253.5909 302.5670 3514.2574 6285.0670 301.8659 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1760000 WRITING COORDINATES TO DCD FILE MD.1.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: 7073.78, 0.00964563/step Wall: 7073.78, 0.00964563/step, 1.98218 hours remaining, 115.046875 MB of memory in use. ENERGY: 1760200 658.9715 1811.5387 1967.7111 109.5259 1.7987 -1068.2116 0.0000 0.0000 2753.0535 6234.3879 304.0824 3481.3344 6268.6121 300.9701 LDB: ============= START OF LOAD BALANCING ============== 7076.48 LDB: ============== END OF LOAD BALANCING =============== 7076.48 LDB: =============== DONE WITH MIGRATION ================ 7076.48 LDB: ============= START OF LOAD BALANCING ============== 7076.87 LDB: ============== END OF LOAD BALANCING =============== 7076.87 LDB: =============== DONE WITH MIGRATION ================ 7076.87 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: 7074.56, 0.00391173/step Wall: 7074.56, 0.00391173/step, 0.803642 hours remaining, 115.046875 MB of memory in use. ENERGY: 1760400 682.8977 1817.7216 1946.7436 102.1693 2.5348 -1095.3868 0.0000 0.0000 2748.5340 6205.2142 303.5832 3456.6802 6240.1953 301.8925 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: 7075.34, 0.00390272/step Wall: 7075.34, 0.00390272/step, 0.801574 hours remaining, 115.046875 MB of memory in use. ENERGY: 1760600 652.6842 1895.0822 1956.4061 111.4545 2.5799 -1063.9292 0.0000 0.0000 2696.6219 6250.8996 297.8494 3554.2777 6281.4903 301.5222 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: 7076.12, 0.00390654/step Wall: 7076.12, 0.00390654/step, 0.802143 hours remaining, 115.046875 MB of memory in use. ENERGY: 1760800 666.5930 1839.8775 1947.8738 112.6667 1.7879 -1085.0299 0.0000 0.0000 2714.9087 6198.6777 299.8692 3483.7690 6232.6302 301.0251 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: 7076.9, 0.00390708/step Wall: 7076.9, 0.00390708/step, 0.802037 hours remaining, 115.046875 MB of memory in use. ENERGY: 1761000 679.6507 1847.7634 1957.8428 100.2125 2.3063 -1104.7883 0.0000 0.0000 2725.6908 6208.6781 301.0601 3482.9874 6241.1691 299.5349 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: 7077.69, 0.00391853/step Wall: 7077.69, 0.00391853/step, 0.80417 hours remaining, 115.046875 MB of memory in use. ENERGY: 1761200 648.0882 1861.8602 1944.2651 118.8060 2.8593 -1104.0856 0.0000 0.0000 2689.9712 6161.7644 297.1148 3471.7932 6195.1815 298.8574 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: 7078.47, 0.00390791/step Wall: 7078.47, 0.00390791/step, 0.801772 hours remaining, 115.046875 MB of memory in use. ENERGY: 1761400 657.1874 1831.3631 1939.8668 111.4796 2.2012 -1090.4032 0.0000 0.0000 2706.4667 6158.1616 298.9368 3451.6949 6192.1463 298.1540 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: 7079.25, 0.0039031/step Wall: 7079.25, 0.0039031/step, 0.800569 hours remaining, 115.046875 MB of memory in use. ENERGY: 1761600 671.3011 1864.0608 1944.1979 117.7873 2.4107 -1085.6927 0.0000 0.0000 2684.4775 6198.5425 296.5080 3514.0651 6228.0895 299.4788 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: 7080.03, 0.00390649/step Wall: 7080.03, 0.00390649/step, 0.801048 hours remaining, 115.046875 MB of memory in use. ENERGY: 1761800 628.4205 1856.1852 1945.7737 113.7241 1.3460 -1073.9086 0.0000 0.0000 2758.3445 6229.8854 304.6668 3471.5409 6264.6622 301.2782 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: 7080.81, 0.00390765/step Wall: 7080.81, 0.00390765/step, 0.801069 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1762000 647.6873 1828.7396 1934.1011 102.3868 3.7800 -1057.6026 0.0000 0.0000 2762.6609 6221.7533 305.1436 3459.0923 6257.3511 301.2748 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: 7081.59, 0.00390679/step Wall: 7081.59, 0.00390679/step, 0.800674 hours remaining, 115.046875 MB of memory in use. ENERGY: 1762200 646.9365 1866.1018 1920.3166 110.9037 1.9768 -1095.9900 0.0000 0.0000 2741.5130 6191.7583 302.8077 3450.2453 6227.8575 300.3935 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: 7082.37, 0.00390488/step Wall: 7082.37, 0.00390488/step, 0.800066 hours remaining, 115.046875 MB of memory in use. ENERGY: 1762400 644.5571 1874.3759 1930.4450 99.5552 2.5002 -1100.8999 0.0000 0.0000 2693.8793 6144.4128 297.5465 3450.5335 6179.5987 298.4601 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: 7083.15, 0.00390717/step Wall: 7083.15, 0.00390717/step, 0.800318 hours remaining, 115.046875 MB of memory in use. ENERGY: 1762600 642.1632 1835.1625 1929.3355 113.9329 3.4067 -1084.0939 0.0000 0.0000 2710.2518 6150.1587 299.3549 3439.9070 6185.4689 297.8670 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: 7083.94, 0.00390757/step Wall: 7083.94, 0.00390757/step, 0.800184 hours remaining, 115.046875 MB of memory in use. ENERGY: 1762800 665.3369 1790.7709 1964.2689 117.3193 2.0787 -1068.7385 0.0000 0.0000 2688.6125 6159.6487 296.9647 3471.0362 6192.5691 297.3516 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: 7084.72, 0.00390777/step Wall: 7084.72, 0.00390777/step, 0.800008 hours remaining, 115.046875 MB of memory in use. ENERGY: 1763000 693.9703 1816.5931 1967.3991 109.8290 2.0101 -1070.3176 0.0000 0.0000 2636.2105 6155.6945 291.1768 3519.4841 6190.0520 297.1675 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: 7085.5, 0.00390718/step Wall: 7085.5, 0.00390718/step, 0.79967 hours remaining, 115.046875 MB of memory in use. ENERGY: 1763200 680.2428 1817.3332 1938.3461 122.1965 1.1733 -1114.0598 0.0000 0.0000 2690.3615 6135.5936 297.1579 3445.2321 6168.6087 297.0503 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: 7086.28, 0.00390412/step Wall: 7086.28, 0.00390412/step, 0.798827 hours remaining, 115.046875 MB of memory in use. ENERGY: 1763400 665.5267 1836.7009 1972.3056 103.7367 1.9205 -1076.3867 0.0000 0.0000 2716.4841 6220.2878 300.0432 3503.8037 6250.9138 299.4597 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: 7087.06, 0.00390687/step Wall: 7087.06, 0.00390687/step, 0.799173 hours remaining, 115.046875 MB of memory in use. ENERGY: 1763600 656.2537 1796.7096 1952.0122 113.4098 2.4040 -1056.0188 0.0000 0.0000 2724.5142 6189.2848 300.9302 3464.7706 6223.2775 300.2690 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: 7087.84, 0.00390785/step Wall: 7087.84, 0.00390785/step, 0.799156 hours remaining, 115.046875 MB of memory in use. ENERGY: 1763800 654.4301 1785.7782 1950.9091 107.9857 2.3679 -1066.8652 0.0000 0.0000 2701.9513 6136.5572 298.4381 3434.6059 6168.8497 298.6257 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: 7088.62, 0.00390706/step Wall: 7088.62, 0.00390706/step, 0.798777 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1764000 646.3017 1869.1762 1944.7488 105.0214 2.4912 -1093.8425 0.0000 0.0000 2677.9934 6151.8902 295.7918 3473.8969 6185.6765 298.5595 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: 7089.41, 0.0039237/step Wall: 7089.41, 0.0039237/step, 0.80196 hours remaining, 115.046875 MB of memory in use. ENERGY: 1764200 679.1670 1857.4937 1946.6124 100.2512 2.1192 -1124.6632 0.0000 0.0000 2684.2033 6145.1836 296.4777 3460.9803 6176.6306 296.6754 LDB: ============= START OF LOAD BALANCING ============== 7092.11 LDB: ============== END OF LOAD BALANCING =============== 7092.11 LDB: =============== DONE WITH MIGRATION ================ 7092.11 LDB: ============= START OF LOAD BALANCING ============== 7092.5 LDB: ============== END OF LOAD BALANCING =============== 7092.5 LDB: =============== DONE WITH MIGRATION ================ 7092.5 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: 7090.19, 0.00391754/step Wall: 7090.19, 0.00391754/step, 0.800484 hours remaining, 115.046875 MB of memory in use. ENERGY: 1764400 621.4520 1820.1660 1931.1172 112.9847 3.0095 -1080.1842 0.0000 0.0000 2727.3000 6135.8451 301.2379 3408.5451 6170.5344 296.2719 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: 7090.97, 0.00390976/step Wall: 7090.97, 0.00390976/step, 0.798676 hours remaining, 115.046875 MB of memory in use. ENERGY: 1764600 612.9210 1854.8518 1927.3632 107.0966 2.7873 -1100.3775 0.0000 0.0000 2761.8081 6166.4503 305.0494 3404.6422 6203.2425 298.5820 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: 7091.76, 0.0039092/step Wall: 7091.76, 0.0039092/step, 0.798345 hours remaining, 115.046875 MB of memory in use. ENERGY: 1764800 676.7852 1875.5651 1946.8028 100.8786 0.8805 -1121.4802 0.0000 0.0000 2702.1281 6181.5601 298.4576 3479.4320 6217.2527 299.1851 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: 7092.54, 0.00391098/step Wall: 7092.54, 0.00391098/step, 0.798491 hours remaining, 115.046875 MB of memory in use. ENERGY: 1765000 692.9200 1825.7841 1960.0962 92.9061 1.9348 -1078.0230 0.0000 0.0000 2781.0242 6276.6424 307.1719 3495.6182 6309.5047 301.4069 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: 7093.32, 0.00390458/step Wall: 7093.32, 0.00390458/step, 0.796967 hours remaining, 115.046875 MB of memory in use. ENERGY: 1765200 645.0201 1905.8751 1951.9935 106.0167 2.1171 -1082.8666 0.0000 0.0000 2717.0283 6245.1841 300.1033 3528.1559 6279.4771 302.8624 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: 7094.1, 0.00391071/step Wall: 7094.1, 0.00391071/step, 0.798002 hours remaining, 115.046875 MB of memory in use. ENERGY: 1765400 653.2243 1870.3099 2013.9966 117.5789 2.2406 -1142.3997 0.0000 0.0000 2747.3604 6262.3109 303.4536 3514.9505 6297.0535 303.0828 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: 7094.88, 0.00391042/step Wall: 7094.88, 0.00391042/step, 0.797726 hours remaining, 115.046875 MB of memory in use. ENERGY: 1765600 643.9931 1900.6943 1967.7725 106.7226 1.5734 -1085.8983 0.0000 0.0000 2721.9690 6256.8267 300.6491 3534.8576 6289.5978 304.3371 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: 7095.67, 0.00391067/step Wall: 7095.67, 0.00391067/step, 0.797559 hours remaining, 115.046875 MB of memory in use. ENERGY: 1765800 660.4433 1926.1060 1959.1108 100.9262 1.3969 -1127.7053 0.0000 0.0000 2766.4564 6286.7342 305.5628 3520.2779 6320.8972 305.0125 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: 7096.45, 0.00390615/step Wall: 7096.45, 0.00390615/step, 0.79642 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1766000 643.7653 1893.2049 1938.9004 109.5310 2.6243 -1124.8831 0.0000 0.0000 2759.1644 6222.3073 304.7574 3463.1429 6257.0249 304.0190 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: 7097.23, 0.00390938/step Wall: 7097.23, 0.00390938/step, 0.796863 hours remaining, 115.046875 MB of memory in use. ENERGY: 1766200 691.1919 1863.5569 1938.9485 109.4126 1.8677 -1099.9887 0.0000 0.0000 2728.4500 6233.4390 301.3649 3504.9889 6268.6770 302.8322 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: 7098.01, 0.00390935/step Wall: 7098.01, 0.00390935/step, 0.796639 hours remaining, 115.046875 MB of memory in use. ENERGY: 1766400 648.1805 1836.8804 1937.5332 102.9273 2.4844 -1072.0823 0.0000 0.0000 2774.7031 6230.6266 306.4737 3455.9235 6265.5824 301.1532 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: 7098.79, 0.0039107/step Wall: 7098.79, 0.0039107/step, 0.796696 hours remaining, 115.046875 MB of memory in use. ENERGY: 1766600 609.8088 1845.7710 1960.6961 112.9525 1.5372 -1073.4615 0.0000 0.0000 2733.2884 6190.5924 301.8993 3457.3041 6227.5012 301.0599 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: 7099.58, 0.00390892/step Wall: 7099.58, 0.00390891/step, 0.796116 hours remaining, 115.046875 MB of memory in use. ENERGY: 1766800 639.6923 1857.7187 1963.8552 98.0001 3.3665 -1078.0594 0.0000 0.0000 2696.9234 6181.4968 297.8827 3484.5734 6213.4760 301.0684 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: 7100.36, 0.00390313/step Wall: 7100.36, 0.00390314/step, 0.794722 hours remaining, 115.046875 MB of memory in use. ENERGY: 1767000 624.8846 1828.5023 1986.6365 108.3461 2.8696 -1103.1279 0.0000 0.0000 2737.4891 6185.6002 302.3633 3448.1112 6219.8870 299.6193 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: 7101.14, 0.00390818/step Wall: 7101.14, 0.00390818/step, 0.795533 hours remaining, 115.046875 MB of memory in use. ENERGY: 1767200 651.8360 1818.9845 1960.3914 109.3931 1.9469 -1111.9135 0.0000 0.0000 2748.3014 6178.9398 303.5575 3430.6385 6210.2536 299.4407 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: 7101.92, 0.00391071/step Wall: 7101.92, 0.00391071/step, 0.79583 hours remaining, 115.046875 MB of memory in use. ENERGY: 1767400 657.2297 1835.6590 1984.5707 99.8027 3.1191 -1096.3698 0.0000 0.0000 2644.0394 6128.0507 292.0415 3484.0114 6159.7517 296.6442 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: 7102.7, 0.00391086/step Wall: 7102.7, 0.00391086/step, 0.795644 hours remaining, 115.046875 MB of memory in use. ENERGY: 1767600 628.0253 1875.5707 1942.0834 108.4780 1.5299 -1109.5969 0.0000 0.0000 2685.1668 6131.2572 296.5842 3446.0903 6162.7318 296.8789 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: 7103.48, 0.00391078/step Wall: 7103.48, 0.00391078/step, 0.795409 hours remaining, 115.046875 MB of memory in use. ENERGY: 1767800 644.5924 1843.5723 1935.0132 110.4095 2.6129 -1060.9860 0.0000 0.0000 2604.8859 6080.1001 287.7169 3475.2142 6109.8767 293.8645 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: 7104.26, 0.00390378/step Wall: 7104.26, 0.00390378/step, 0.79377 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1768000 631.0524 1762.6481 1957.0926 118.5717 2.3961 -1069.9889 0.0000 0.0000 2674.7167 6076.4887 295.4299 3401.7720 6108.5804 293.9479 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: 7105.05, 0.00390925/step Wall: 7105.05, 0.00390925/step, 0.794664 hours remaining, 115.046875 MB of memory in use. ENERGY: 1768200 634.6459 1840.2461 1952.4860 100.9254 2.5686 -1068.8449 0.0000 0.0000 2652.0150 6114.0420 292.9224 3462.0270 6147.6907 296.3391 LDB: ============= START OF LOAD BALANCING ============== 7107.75 LDB: ============== END OF LOAD BALANCING =============== 7107.75 LDB: =============== DONE WITH MIGRATION ================ 7107.75 LDB: ============= START OF LOAD BALANCING ============== 7108.14 LDB: ============== END OF LOAD BALANCING =============== 7108.14 LDB: =============== DONE WITH MIGRATION ================ 7108.14 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: 7105.83, 0.00391259/step Wall: 7105.83, 0.00391259/step, 0.795125 hours remaining, 115.046875 MB of memory in use. ENERGY: 1768400 631.2559 1813.5848 1982.0349 102.1488 2.7071 -1100.1665 0.0000 0.0000 2711.8404 6143.4055 299.5303 3431.5652 6178.1517 296.8256 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: 7106.61, 0.00390728/step Wall: 7106.61, 0.00390728/step, 0.793829 hours remaining, 115.046875 MB of memory in use. ENERGY: 1768600 636.9541 1796.6103 1952.7123 117.0309 3.7329 -1056.9322 0.0000 0.0000 2661.1393 6111.2475 293.9303 3450.1082 6144.5667 296.6458 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: 7107.39, 0.00390417/step Wall: 7107.39, 0.00390417/step, 0.792979 hours remaining, 115.046875 MB of memory in use. ENERGY: 1768800 657.5179 1845.1918 1930.1291 95.1553 2.4158 -1117.1120 0.0000 0.0000 2723.1237 6136.4217 300.7766 3413.2980 6169.4351 295.4729 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: 7108.17, 0.00390795/step Wall: 7108.17, 0.00390795/step, 0.79353 hours remaining, 115.046875 MB of memory in use. ENERGY: 1769000 656.0397 1835.1080 1940.0169 111.4080 3.5543 -1100.5947 0.0000 0.0000 2713.2345 6158.7667 299.6843 3445.5322 6190.5242 296.2980 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: 7108.95, 0.00390761/step Wall: 7108.95, 0.00390761/step, 0.793246 hours remaining, 115.046875 MB of memory in use. ENERGY: 1769200 643.0975 1844.1277 1939.5777 100.7106 1.8783 -1139.6334 0.0000 0.0000 2737.9536 6127.7120 302.4146 3389.7584 6162.1143 297.0094 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: 7109.74, 0.00390923/step Wall: 7109.74, 0.00390923/step, 0.793356 hours remaining, 115.046875 MB of memory in use. ENERGY: 1769400 655.1285 1861.4491 1953.8383 99.6500 1.7616 -1143.5876 0.0000 0.0000 2709.6398 6137.8796 299.2873 3428.2399 6171.8583 296.5459 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: 7110.52, 0.00390836/step Wall: 7110.52, 0.00390836/step, 0.792964 hours remaining, 115.046875 MB of memory in use. ENERGY: 1769600 641.6680 1820.7938 1949.4390 92.2090 2.7521 -1118.1864 0.0000 0.0000 2739.0313 6127.7068 302.5336 3388.6755 6162.4605 297.4132 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: 7111.3, 0.00390265/step Wall: 7111.3, 0.00390265/step, 0.791587 hours remaining, 115.046875 MB of memory in use. ENERGY: 1769800 636.8171 1804.6762 1957.5397 99.2545 2.8530 -1084.0911 0.0000 0.0000 2740.4906 6157.5398 302.6948 3417.0493 6192.8925 297.7327 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: 7112.08, 0.00390959/step Wall: 7112.08, 0.00390959/step, 0.792777 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1770000 669.5088 1856.8893 1954.0440 118.5761 3.4360 -1120.3702 0.0000 0.0000 2709.8948 6191.9788 299.3154 3482.0840 6224.0493 298.2252 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1770000 WRITING COORDINATES TO DCD FILE MD.1.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: 7112.9, 0.00408791/step Wall: 7112.9, 0.00408792/step, 0.828712 hours remaining, 115.046875 MB of memory in use. ENERGY: 1770200 662.1920 1834.4426 1964.7861 114.7703 2.1291 -1092.3342 0.0000 0.0000 2711.5311 6197.5170 299.4962 3485.9859 6230.4105 299.6386 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: 7113.68, 0.00390722/step Wall: 7113.68, 0.00390722/step, 0.791863 hours remaining, 115.046875 MB of memory in use. ENERGY: 1770400 668.0344 1867.3381 1967.2060 116.2435 2.1379 -1096.1598 0.0000 0.0000 2713.0309 6237.8309 299.6618 3524.8000 6270.0705 300.3646 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: 7114.46, 0.00390386/step Wall: 7114.46, 0.00390386/step, 0.790966 hours remaining, 115.046875 MB of memory in use. ENERGY: 1770600 667.1327 1868.2067 1981.4516 98.6748 1.9069 -1116.0985 0.0000 0.0000 2723.7670 6225.0413 300.8477 3501.2742 6259.9719 300.7419 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: 7115.24, 0.00390921/step Wall: 7115.24, 0.00390921/step, 0.791832 hours remaining, 115.046875 MB of memory in use. ENERGY: 1770800 656.8817 1931.0286 1946.5841 102.0312 2.6811 -1086.1637 0.0000 0.0000 2708.8801 6261.9231 299.2034 3553.0430 6293.1694 302.7408 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: 7116.02, 0.00390953/step Wall: 7116.02, 0.00390953/step, 0.79168 hours remaining, 115.046875 MB of memory in use. ENERGY: 1771000 636.1243 1893.9009 1973.0086 105.7871 0.9478 -1102.0080 0.0000 0.0000 2740.5256 6248.2863 302.6987 3507.7607 6282.6368 302.6220 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: 7116.81, 0.00390938/step Wall: 7116.81, 0.00390938/step, 0.791432 hours remaining, 115.046875 MB of memory in use. ENERGY: 1771200 634.0916 1878.4893 1984.1666 113.5492 2.1956 -1099.4850 0.0000 0.0000 2724.2536 6237.2608 300.9014 3513.0072 6270.4615 301.0678 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: 7117.59, 0.00391612/step Wall: 7117.59, 0.00391612/step, 0.792579 hours remaining, 115.046875 MB of memory in use. ENERGY: 1771400 672.1872 1931.3366 1967.6006 103.4040 1.2561 -1134.4746 0.0000 0.0000 2740.6489 6281.9587 302.7123 3541.3099 6314.4601 303.8084 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: 7118.37, 0.00390555/step Wall: 7118.37, 0.00390555/step, 0.790222 hours remaining, 115.046875 MB of memory in use. ENERGY: 1771600 671.2310 1865.9597 1983.0541 105.1691 2.0135 -1099.7387 0.0000 0.0000 2759.3809 6287.0695 304.7813 3527.6886 6317.6489 304.5411 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: 7119.15, 0.0039071/step Wall: 7119.15, 0.0039071/step, 0.790319 hours remaining, 115.046875 MB of memory in use. ENERGY: 1771800 681.8824 1818.9484 1954.7404 120.6354 1.5844 -1070.3940 0.0000 0.0000 2778.4498 6285.8468 306.8875 3507.3969 6315.4999 304.9725 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: 7119.93, 0.00390852/step Wall: 7119.93, 0.00390852/step, 0.790391 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1772000 659.4510 1866.4901 1951.4743 117.2406 2.2401 -1103.6248 0.0000 0.0000 2762.6245 6255.8958 305.1396 3493.2713 6290.5130 303.2315 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: 7120.71, 0.00390851/step Wall: 7120.71, 0.00390851/step, 0.79017 hours remaining, 115.046875 MB of memory in use. ENERGY: 1772200 682.7144 1836.5302 1985.2819 102.4878 2.1899 -1109.6121 0.0000 0.0000 2703.6188 6203.2109 298.6222 3499.5921 6236.4996 301.3791 LDB: ============= START OF LOAD BALANCING ============== 7123.41 LDB: ============== END OF LOAD BALANCING =============== 7123.41 LDB: =============== DONE WITH MIGRATION ================ 7123.41 LDB: ============= START OF LOAD BALANCING ============== 7123.81 LDB: ============== END OF LOAD BALANCING =============== 7123.81 LDB: =============== DONE WITH MIGRATION ================ 7123.81 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: 7121.5, 0.00390953/step Wall: 7121.5, 0.00390953/step, 0.790159 hours remaining, 115.046875 MB of memory in use. ENERGY: 1772400 631.8140 1812.5785 1952.0171 105.5968 1.1788 -1047.8104 0.0000 0.0000 2702.7809 6158.1556 298.5297 3455.3748 6191.0571 298.7701 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: 7122.28, 0.00390753/step Wall: 7122.28, 0.00390753/step, 0.789537 hours remaining, 115.046875 MB of memory in use. ENERGY: 1772600 649.3018 1813.3196 1952.4593 101.0605 0.9070 -1123.9933 0.0000 0.0000 2716.9719 6110.0268 300.0971 3393.0549 6145.2108 296.3644 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: 7123.06, 0.00390671/step Wall: 7123.06, 0.00390671/step, 0.789155 hours remaining, 115.046875 MB of memory in use. ENERGY: 1772800 634.1803 1844.5871 1921.7433 100.5813 1.5635 -1085.7636 0.0000 0.0000 2678.8802 6095.7721 295.8898 3416.8920 6128.2741 296.7500 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: 7123.84, 0.00390638/step Wall: 7123.84, 0.00390638/step, 0.788871 hours remaining, 115.046875 MB of memory in use. ENERGY: 1773000 680.4072 1833.8522 1932.5761 103.5396 0.2561 -1092.7044 0.0000 0.0000 2655.1355 6113.0623 293.2671 3457.9269 6146.7638 294.8846 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: 7124.62, 0.00390531/step Wall: 7124.62, 0.00390531/step, 0.78844 hours remaining, 115.046875 MB of memory in use. ENERGY: 1773200 651.3412 1842.6588 1919.4159 106.3022 0.8349 -1102.4455 0.0000 0.0000 2693.5383 6111.6457 297.5088 3418.1074 6141.6032 295.0160 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: 7125.4, 0.00390406/step Wall: 7125.4, 0.00390406/step, 0.787969 hours remaining, 115.046875 MB of memory in use. ENERGY: 1773400 671.0312 1783.5972 1933.4693 103.6277 1.6571 -1103.9302 0.0000 0.0000 2692.9758 6082.4281 297.4467 3389.4523 6115.4756 296.0840 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: 7126.18, 0.00390766/step Wall: 7126.18, 0.00390766/step, 0.788479 hours remaining, 115.046875 MB of memory in use. ENERGY: 1773600 614.6590 1855.2426 1946.0324 111.1542 2.2980 -1093.1796 0.0000 0.0000 2660.1332 6096.3400 293.8191 3436.2067 6128.4491 295.1087 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: 7126.97, 0.00390721/step Wall: 7126.97, 0.0039072/step, 0.78817 hours remaining, 115.046875 MB of memory in use. ENERGY: 1773800 648.8770 1800.6882 1980.7563 109.0235 1.6933 -1121.1073 0.0000 0.0000 2673.1630 6093.0940 295.2583 3419.9309 6126.1936 294.0258 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: 7127.75, 0.00390781/step Wall: 7127.75, 0.00390782/step, 0.788076 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1774000 643.0735 1798.1697 1954.7736 114.5192 2.0616 -1098.5150 0.0000 0.0000 2687.1579 6101.2405 296.8041 3414.0826 6134.2296 293.6033 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: 7128.53, 0.00390736/step Wall: 7128.53, 0.00390736/step, 0.787766 hours remaining, 115.046875 MB of memory in use. ENERGY: 1774200 663.6455 1811.3615 1953.1132 108.7080 1.4700 -1111.4603 0.0000 0.0000 2707.7066 6134.5447 299.0737 3426.8380 6165.2453 296.6095 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: 7129.31, 0.00390385/step Wall: 7129.31, 0.00390386/step, 0.786844 hours remaining, 115.046875 MB of memory in use. ENERGY: 1774400 650.7428 1806.7913 1946.4038 100.2861 1.7120 -1081.7386 0.0000 0.0000 2686.3154 6110.5128 296.7110 3424.1974 6142.4713 296.2256 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: 7130.09, 0.0039079/step Wall: 7130.09, 0.0039079/step, 0.787442 hours remaining, 115.046875 MB of memory in use. ENERGY: 1774600 635.6743 1842.5237 1950.6510 115.1042 2.4809 -1077.9075 0.0000 0.0000 2669.1504 6137.6770 294.8151 3468.5267 6169.8062 296.6255 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: 7130.87, 0.0039065/step Wall: 7130.87, 0.0039065/step, 0.786943 hours remaining, 115.046875 MB of memory in use. ENERGY: 1774800 650.0632 1874.3335 1903.7788 112.6692 2.8543 -1072.5998 0.0000 0.0000 2637.1923 6108.2915 291.2852 3471.0992 6137.5049 297.2845 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: 7131.65, 0.00390691/step Wall: 7131.65, 0.00390691/step, 0.786808 hours remaining, 115.046875 MB of memory in use. ENERGY: 1775000 664.6633 1821.6635 1966.3152 97.2273 0.8271 -1071.0539 0.0000 0.0000 2692.8123 6172.4548 297.4286 3479.6425 6204.5649 297.2601 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: 7132.43, 0.0039047/step Wall: 7132.43, 0.0039047/step, 0.786146 hours remaining, 115.046875 MB of memory in use. ENERGY: 1775200 640.4161 1886.9940 1944.3860 107.9327 1.0603 -1101.3858 0.0000 0.0000 2679.4398 6158.8432 295.9516 3479.4034 6193.1683 298.9920 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: 7133.22, 0.00390642/step Wall: 7133.22, 0.00390642/step, 0.786275 hours remaining, 115.046875 MB of memory in use. ENERGY: 1775400 649.7869 1838.1336 1953.6899 116.3018 2.6526 -1089.3169 0.0000 0.0000 2686.5749 6157.8230 296.7397 3471.2481 6189.1295 297.3564 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: 7134, 0.00390769/step Wall: 7134, 0.00390769/step, 0.786315 hours remaining, 115.046875 MB of memory in use. ENERGY: 1775600 652.0296 1867.3928 1961.9174 98.7587 0.7776 -1116.9851 0.0000 0.0000 2671.5191 6135.4101 295.0767 3463.8910 6169.4838 297.5168 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: 7134.78, 0.00390948/step Wall: 7134.78, 0.00390948/step, 0.786457 hours remaining, 115.046875 MB of memory in use. ENERGY: 1775800 627.0637 1893.3357 1949.0953 92.0188 1.2769 -1088.4310 0.0000 0.0000 2656.4452 6130.8048 293.4118 3474.3596 6160.9739 296.3777 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: 7135.56, 0.00390874/step Wall: 7135.56, 0.00390874/step, 0.786091 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1776000 633.4997 1857.6880 1957.1241 113.4245 2.6548 -1107.7591 0.0000 0.0000 2684.6867 6141.3187 296.5311 3456.6320 6175.4838 295.7039 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: 7136.34, 0.00390405/step Wall: 7136.34, 0.00390405/step, 0.784931 hours remaining, 115.046875 MB of memory in use. ENERGY: 1776200 641.1906 1870.2590 1970.2917 106.0023 1.4692 -1120.3550 0.0000 0.0000 2735.8527 6204.7105 302.1826 3468.8578 6239.4186 299.6404 LDB: ============= START OF LOAD BALANCING ============== 7139.04 LDB: ============== END OF LOAD BALANCING =============== 7139.04 LDB: =============== DONE WITH MIGRATION ================ 7139.04 LDB: ============= START OF LOAD BALANCING ============== 7139.43 LDB: ============== END OF LOAD BALANCING =============== 7139.43 LDB: =============== DONE WITH MIGRATION ================ 7139.43 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: 7137.12, 0.0039129/step Wall: 7137.12, 0.0039129/step, 0.786493 hours remaining, 115.046875 MB of memory in use. ENERGY: 1776400 673.0585 1876.7651 1994.1839 117.8645 1.1358 -1107.4197 0.0000 0.0000 2617.5233 6173.1115 289.1127 3555.5882 6201.3739 300.1261 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: 7137.91, 0.00390924/step Wall: 7137.91, 0.00390924/step, 0.785539 hours remaining, 115.046875 MB of memory in use. ENERGY: 1776600 654.7689 1811.8760 1996.8042 99.0753 1.2475 -1080.0293 0.0000 0.0000 2669.8411 6153.5835 294.8914 3483.7425 6187.4186 295.7729 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: 7138.69, 0.0039096/step Wall: 7138.69, 0.0039096/step, 0.785394 hours remaining, 115.046875 MB of memory in use. ENERGY: 1776800 649.3297 1835.7788 1952.3393 103.7241 2.8436 -1048.9306 0.0000 0.0000 2659.2388 6154.3236 293.7203 3495.0849 6187.6201 296.7492 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: 7139.47, 0.00390304/step Wall: 7139.47, 0.00390304/step, 0.78386 hours remaining, 115.046875 MB of memory in use. ENERGY: 1777000 662.1303 1810.2695 1942.9583 101.6747 1.1988 -1099.0051 0.0000 0.0000 2701.8220 6121.0485 298.4238 3419.2265 6152.1826 297.7446 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: 7140.25, 0.00390674/step Wall: 7140.25, 0.00390674/step, 0.784388 hours remaining, 115.046875 MB of memory in use. ENERGY: 1777200 636.8244 1896.5748 1945.9103 102.3267 2.4937 -1073.1741 0.0000 0.0000 2637.1790 6148.1349 291.2838 3510.9559 6179.2741 298.1443 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: 7141.03, 0.00391027/step Wall: 7141.03, 0.00391027/step, 0.784878 hours remaining, 115.046875 MB of memory in use. ENERGY: 1777400 694.3911 1812.6300 1951.4335 109.5079 1.3129 -1075.5252 0.0000 0.0000 2657.1768 6150.9269 293.4926 3493.7502 6184.3201 296.0593 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: 7141.81, 0.00390788/step Wall: 7141.81, 0.00390788/step, 0.784181 hours remaining, 115.046875 MB of memory in use. ENERGY: 1777600 705.2204 1815.0320 1948.9923 116.4006 0.4948 -1099.9396 0.0000 0.0000 2666.0926 6152.2932 294.4774 3486.2006 6182.1817 297.5781 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: 7142.6, 0.00390862/step Wall: 7142.6, 0.00390862/step, 0.784114 hours remaining, 115.046875 MB of memory in use. ENERGY: 1777800 673.5518 1847.9303 1949.4430 92.5532 1.1222 -1103.4449 0.0000 0.0000 2671.9546 6133.1103 295.1248 3461.1556 6163.9805 297.4666 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: 7143.38, 0.00390386/step Wall: 7143.38, 0.00390386/step, 0.78294 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1778000 623.4539 1849.2140 1959.3151 97.3961 -0.4148 -1116.5089 0.0000 0.0000 2648.6066 6061.0620 292.5460 3412.4554 6096.2233 296.4979 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: 7144.16, 0.00390671/step Wall: 7144.16, 0.00390671/step, 0.783294 hours remaining, 115.046875 MB of memory in use. ENERGY: 1778200 662.1547 1819.0711 1961.3256 125.9492 0.6446 -1130.7679 0.0000 0.0000 2670.5636 6108.9408 294.9712 3438.3772 6139.1329 294.8242 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: 7144.94, 0.0039093/step Wall: 7144.94, 0.0039093/step, 0.783597 hours remaining, 115.046875 MB of memory in use. ENERGY: 1778400 655.7684 1856.1176 1970.4011 114.8154 0.3884 -1123.1939 0.0000 0.0000 2651.4618 6125.7588 292.8613 3474.2969 6155.2097 296.5186 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: 7145.72, 0.00390902/step Wall: 7145.72, 0.00390902/step, 0.783323 hours remaining, 115.046875 MB of memory in use. ENERGY: 1778600 652.3865 1845.9933 1950.9103 103.4868 0.5729 -1109.2908 0.0000 0.0000 2664.1655 6108.2244 294.2645 3444.0590 6137.2076 295.5471 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: 7146.5, 0.00390505/step Wall: 7146.5, 0.00390505/step, 0.782312 hours remaining, 115.046875 MB of memory in use. ENERGY: 1778800 649.2596 1813.7848 1949.6771 105.8180 0.8126 -1089.2942 0.0000 0.0000 2662.4551 6092.5131 294.0756 3430.0580 6122.9386 295.3186 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: 7147.28, 0.00390819/step Wall: 7147.28, 0.00390819/step, 0.782724 hours remaining, 115.046875 MB of memory in use. ENERGY: 1779000 645.4582 1823.1998 1933.3626 105.1836 0.3642 -1130.4968 0.0000 0.0000 2684.0924 6061.1641 296.4655 3377.0717 6093.5244 292.4817 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: 7148.07, 0.00392772/step Wall: 7148.07, 0.00392772/step, 0.786418 hours remaining, 115.046875 MB of memory in use. ENERGY: 1779200 672.7011 1820.7680 1934.0555 103.3347 1.6210 -1143.3213 0.0000 0.0000 2689.6399 6078.7990 297.0782 3389.1590 6112.3623 292.0830 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: 7148.85, 0.00391602/step Wall: 7148.85, 0.00391602/step, 0.783857 hours remaining, 115.046875 MB of memory in use. ENERGY: 1779400 619.7952 1851.8750 1967.3120 100.4335 1.5193 -1094.4875 0.0000 0.0000 2675.2779 6121.7255 295.4919 3446.4477 6155.6831 294.1832 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: 7149.64, 0.00391497/step Wall: 7149.64, 0.00391497/step, 0.78343 hours remaining, 115.046875 MB of memory in use. ENERGY: 1779600 663.0579 1762.4306 1979.0133 116.0859 1.5118 -1099.1087 0.0000 0.0000 2651.0284 6074.0192 292.8135 3422.9909 6105.9584 294.3406 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: 7150.42, 0.00390937/step Wall: 7150.42, 0.00390937/step, 0.782091 hours remaining, 115.046875 MB of memory in use. ENERGY: 1779800 675.8026 1828.8447 1941.7830 108.3680 1.3648 -1113.3678 0.0000 0.0000 2680.1056 6122.9009 296.0251 3442.7953 6154.1945 295.8850 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: 7151.2, 0.00390825/step Wall: 7151.2, 0.00390825/step, 0.781649 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1780000 630.6125 1833.3330 1955.5438 98.2117 1.5726 -1080.9318 0.0000 0.0000 2675.6225 6113.9644 295.5300 3438.3418 6146.7575 296.2860 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1780000 WRITING COORDINATES TO DCD FILE MD.1.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: 7152.2, 0.004987/step Wall: 7152.2, 0.004987/step, 0.997124 hours remaining, 115.046875 MB of memory in use. ENERGY: 1780200 605.7648 1872.7341 1977.2529 94.6962 0.3807 -1072.5203 0.0000 0.0000 2701.5170 6179.8254 298.3901 3478.3084 6213.3259 297.8484 LDB: ============= START OF LOAD BALANCING ============== 7154.9 LDB: ============== END OF LOAD BALANCING =============== 7154.9 LDB: =============== DONE WITH MIGRATION ================ 7154.9 LDB: ============= START OF LOAD BALANCING ============== 7155.29 LDB: ============== END OF LOAD BALANCING =============== 7155.29 LDB: =============== DONE WITH MIGRATION ================ 7155.29 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: 7152.98, 0.00391454/step Wall: 7152.98, 0.00391454/step, 0.782473 hours remaining, 115.046875 MB of memory in use. ENERGY: 1780400 653.2120 1856.5601 1962.7473 102.4871 -0.1623 -1112.4247 0.0000 0.0000 2734.5920 6197.0117 302.0433 3462.4196 6229.5087 299.0936 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: 7153.76, 0.00390899/step Wall: 7153.76, 0.00390899/step, 0.781146 hours remaining, 115.046875 MB of memory in use. ENERGY: 1780600 668.4076 1794.3004 1955.1127 113.7701 0.2580 -1084.0829 0.0000 0.0000 2711.7033 6159.4692 299.5152 3447.7658 6192.5099 299.6095 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: 7154.54, 0.00390436/step Wall: 7154.54, 0.00390436/step, 0.780004 hours remaining, 115.046875 MB of memory in use. ENERGY: 1780800 649.8352 1846.3364 1964.0497 120.2222 0.0955 -1110.4128 0.0000 0.0000 2707.9804 6178.1066 299.1040 3470.1261 6208.0918 299.2463 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: 7155.32, 0.00390805/step Wall: 7155.32, 0.00390804/step, 0.780523 hours remaining, 115.046875 MB of memory in use. ENERGY: 1781000 627.6525 1866.6406 1943.9158 104.3077 0.3138 -1067.9579 0.0000 0.0000 2695.6848 6170.5574 297.7459 3474.8726 6200.7311 297.8272 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: 7156.11, 0.00390743/step Wall: 7156.11, 0.00390744/step, 0.780186 hours remaining, 115.046875 MB of memory in use. ENERGY: 1781200 647.1383 1803.8084 1954.2061 115.0153 1.0102 -1071.8667 0.0000 0.0000 2756.2618 6205.5735 304.4368 3449.3117 6240.7097 298.9606 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: 7156.89, 0.00390828/step Wall: 7156.89, 0.00390828/step, 0.780137 hours remaining, 115.046875 MB of memory in use. ENERGY: 1781400 650.0407 1813.8801 1978.7241 109.2452 1.4849 -1066.2175 0.0000 0.0000 2721.2061 6208.3636 300.5648 3487.1575 6242.4922 300.8103 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: 7157.67, 0.00392214/step Wall: 7157.67, 0.00392214/step, 0.782685 hours remaining, 115.046875 MB of memory in use. ENERGY: 1781600 657.2502 1842.2343 1946.0585 106.8558 1.5613 -1090.0725 0.0000 0.0000 2726.1937 6190.0812 301.1157 3463.8876 6225.4636 300.7852 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: 7158.45, 0.00390457/step Wall: 7158.45, 0.00390457/step, 0.778961 hours remaining, 115.046875 MB of memory in use. ENERGY: 1781800 677.6526 1800.5695 1950.0965 114.0020 2.7414 -1109.5034 0.0000 0.0000 2699.6260 6135.1846 298.1812 3435.5586 6166.7915 300.5419 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: 7159.23, 0.00390718/step Wall: 7159.23, 0.00390718/step, 0.779264 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1782000 629.1472 1845.2412 1964.0303 105.5372 2.8373 -1076.3118 0.0000 0.0000 2676.5232 6147.0046 295.6294 3470.4814 6178.6113 295.5260 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: 7160.02, 0.00390828/step Wall: 7160.02, 0.00390828/step, 0.779268 hours remaining, 115.046875 MB of memory in use. ENERGY: 1782200 617.6045 1828.6244 1961.6853 114.9685 2.4486 -1093.2577 0.0000 0.0000 2736.6331 6168.7067 302.2687 3432.0736 6201.3281 299.7714 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: 7160.8, 0.00390912/step Wall: 7160.8, 0.00390912/step, 0.779219 hours remaining, 115.046875 MB of memory in use. ENERGY: 1782400 644.6169 1877.5478 1955.8274 117.1346 1.9875 -1118.1809 0.0000 0.0000 2721.4973 6200.4306 300.5970 3478.9333 6233.6960 301.3585 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: 7161.58, 0.00390279/step Wall: 7161.58, 0.00390279/step, 0.777738 hours remaining, 115.046875 MB of memory in use. ENERGY: 1782600 658.2362 1799.6260 1966.7493 110.3570 0.9940 -1069.2618 0.0000 0.0000 2656.5266 6123.2273 293.4208 3466.7007 6154.7281 298.6823 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: 7162.36, 0.00390991/step Wall: 7162.36, 0.00390991/step, 0.778941 hours remaining, 115.046875 MB of memory in use. ENERGY: 1782800 655.2283 1860.0716 1953.3246 113.1776 1.5344 -1097.5691 0.0000 0.0000 2687.9763 6173.7437 296.8945 3485.7674 6206.6340 298.0254 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: 7163.14, 0.00390834/step Wall: 7163.14, 0.00390834/step, 0.778411 hours remaining, 115.046875 MB of memory in use. ENERGY: 1783000 633.2473 1886.4412 1970.6806 113.9308 1.1153 -1136.7622 0.0000 0.0000 2698.1022 6166.7552 298.0129 3468.6531 6202.8901 299.1216 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: 7163.92, 0.00390991/step Wall: 7163.92, 0.00390991/step, 0.778506 hours remaining, 115.046875 MB of memory in use. ENERGY: 1783200 644.1158 1822.7569 1938.5351 110.5959 1.6989 -1076.7105 0.0000 0.0000 2716.9289 6157.9212 300.0924 3440.9922 6191.3142 298.3875 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: 7164.71, 0.00391128/step Wall: 7164.71, 0.00391128/step, 0.778561 hours remaining, 115.046875 MB of memory in use. ENERGY: 1783400 675.9293 1822.8791 1951.5326 93.4852 1.9993 -1094.8467 0.0000 0.0000 2721.6498 6172.6288 300.6138 3450.9790 6206.9191 299.9436 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: 7165.49, 0.00390298/step Wall: 7165.49, 0.00390298/step, 0.776693 hours remaining, 115.046875 MB of memory in use. ENERGY: 1783600 657.8845 1881.9483 1974.4397 113.7598 2.1777 -1131.0487 0.0000 0.0000 2663.4454 6162.6068 294.1850 3499.1614 6196.6754 298.6581 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: 7166.27, 0.00390821/step Wall: 7166.27, 0.00390821/step, 0.777518 hours remaining, 115.046875 MB of memory in use. ENERGY: 1783800 697.5587 1826.1139 1952.8747 113.1549 1.1035 -1104.1919 0.0000 0.0000 2675.9167 6162.5304 295.5625 3486.6137 6196.5925 297.6818 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: 7167.05, 0.00391003/step Wall: 7167.05, 0.00391003/step, 0.777661 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1784000 645.0964 1837.5946 1977.9268 114.9673 3.6441 -1101.5503 0.0000 0.0000 2729.3956 6207.0743 301.4693 3477.6787 6240.3469 299.0935 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: 7167.83, 0.00391024/step Wall: 7167.83, 0.00391024/step, 0.777486 hours remaining, 115.046875 MB of memory in use. ENERGY: 1784200 650.6021 1812.2357 1963.6131 105.8697 1.2545 -1089.9939 0.0000 0.0000 2816.2771 6259.8584 311.0657 3443.5813 6299.4058 302.3629 LDB: ============= START OF LOAD BALANCING ============== 7170.53 LDB: ============== END OF LOAD BALANCING =============== 7170.53 LDB: =============== DONE WITH MIGRATION ================ 7170.53 LDB: ============= START OF LOAD BALANCING ============== 7170.92 LDB: ============== END OF LOAD BALANCING =============== 7170.92 LDB: =============== DONE WITH MIGRATION ================ 7170.92 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: 7168.62, 0.00391583/step Wall: 7168.62, 0.00391583/step, 0.778381 hours remaining, 115.046875 MB of memory in use. ENERGY: 1784400 657.6656 1872.2438 1962.3832 108.1529 0.5316 -1099.8403 0.0000 0.0000 2733.9477 6235.0845 301.9721 3501.1368 6267.1632 303.2108 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: 7169.4, 0.00390435/step Wall: 7169.4, 0.00390435/step, 0.775882 hours remaining, 115.046875 MB of memory in use. ENERGY: 1784600 629.2723 1810.7772 1989.5335 108.6990 0.8652 -1097.5899 0.0000 0.0000 2760.8244 6202.3817 304.9407 3441.5573 6238.2886 301.5812 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: 7170.18, 0.00390924/step Wall: 7170.18, 0.00390924/step, 0.776636 hours remaining, 115.046875 MB of memory in use. ENERGY: 1784800 654.6950 1846.9640 1984.7659 122.4297 1.0544 -1110.6702 0.0000 0.0000 2760.8441 6260.0828 304.9429 3499.2387 6294.4621 301.9242 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: 7170.96, 0.00391176/step Wall: 7170.96, 0.00391176/step, 0.776919 hours remaining, 115.046875 MB of memory in use. ENERGY: 1785000 668.2128 1812.1395 1974.3926 113.7804 2.2845 -1111.3368 0.0000 0.0000 2693.6587 6153.1318 297.5221 3459.4731 6186.5504 299.7625 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: 7171.74, 0.0039112/step Wall: 7171.74, 0.0039112/step, 0.776591 hours remaining, 115.046875 MB of memory in use. ENERGY: 1785200 606.4333 1843.0969 1934.5803 98.9968 1.9800 -1063.8512 0.0000 0.0000 2727.8522 6149.0884 301.2989 3421.2362 6181.0132 299.2007 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: 7172.52, 0.00390315/step Wall: 7172.52, 0.00390315/step, 0.774775 hours remaining, 115.046875 MB of memory in use. ENERGY: 1785400 646.1368 1847.5495 1955.9178 96.0347 1.1535 -1112.9566 0.0000 0.0000 2710.4167 6144.2524 299.3731 3433.8357 6179.9801 296.9171 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: 7173.3, 0.00390846/step Wall: 7173.3, 0.00390846/step, 0.775611 hours remaining, 115.046875 MB of memory in use. ENERGY: 1785600 662.6158 1774.9403 1955.6175 100.6891 1.6012 -1068.9596 0.0000 0.0000 2687.5892 6114.0936 296.8517 3426.5043 6147.0683 297.8140 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: 7174.09, 0.0039095/step Wall: 7174.09, 0.0039095/step, 0.775602 hours remaining, 115.046875 MB of memory in use. ENERGY: 1785800 630.8916 1779.8194 1971.8901 102.3792 0.0053 -1088.7960 0.0000 0.0000 2622.9275 6019.1170 289.7096 3396.1896 6049.1491 293.4458 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: 7174.87, 0.00391041/step Wall: 7174.87, 0.00391041/step, 0.775565 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1786000 648.0850 1788.5856 1952.2243 107.8120 1.1554 -1129.6522 0.0000 0.0000 2596.3787 5964.5887 286.7773 3368.2101 5995.1179 288.7752 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: 7175.65, 0.00390953/step Wall: 7175.65, 0.00390953/step, 0.775173 hours remaining, 115.046875 MB of memory in use. ENERGY: 1786200 618.8832 1822.1375 1939.1664 95.7969 1.1743 -1085.0988 0.0000 0.0000 2592.8045 5984.8641 286.3825 3392.0596 6015.3397 287.3051 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: 7176.43, 0.00390337/step Wall: 7176.43, 0.00390337/step, 0.773736 hours remaining, 115.046875 MB of memory in use. ENERGY: 1786400 654.9648 1767.7605 1951.7414 93.1920 1.7905 -1099.8077 0.0000 0.0000 2660.8070 6030.4484 293.8935 3369.6414 6064.1866 288.3235 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: 7177.21, 0.00390678/step Wall: 7177.21, 0.00390678/step, 0.774194 hours remaining, 115.046875 MB of memory in use. ENERGY: 1786600 659.6359 1804.1138 1971.5355 104.1619 0.9618 -1104.9191 0.0000 0.0000 2626.8104 6062.3001 290.1385 3435.4897 6094.1858 291.6985 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: 7177.99, 0.0039088/step Wall: 7177.99, 0.0039088/step, 0.774378 hours remaining, 115.046875 MB of memory in use. ENERGY: 1786800 643.0568 1871.6877 1965.7979 105.1330 -0.2139 -1111.0897 0.0000 0.0000 2613.5620 6087.9336 288.6752 3474.3716 6115.1862 292.1957 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: 7178.78, 0.00390924/step Wall: 7178.78, 0.00390924/step, 0.774246 hours remaining, 115.046875 MB of memory in use. ENERGY: 1787000 648.8377 1815.3568 2003.9541 112.7897 2.2183 -1116.7440 0.0000 0.0000 2629.3140 6095.7266 290.4151 3466.4126 6129.4480 294.4568 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: 7179.56, 0.00390327/step Wall: 7179.56, 0.00390328/step, 0.772849 hours remaining, 115.046875 MB of memory in use. ENERGY: 1787200 621.6746 1824.2310 1953.0229 114.8271 -0.1463 -1097.5532 0.0000 0.0000 2679.9911 6096.0474 296.0125 3416.0563 6130.6734 293.7322 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: 7180.34, 0.00391019/step Wall: 7180.34, 0.00391019/step, 0.774001 hours remaining, 115.046875 MB of memory in use. ENERGY: 1787400 651.3775 1848.0707 1970.5775 104.1937 -0.0941 -1133.3653 0.0000 0.0000 2657.3378 6098.0979 293.5104 3440.7601 6127.9333 293.1046 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: 7181.12, 0.00390783/step Wall: 7181.12, 0.00390783/step, 0.773316 hours remaining, 115.046875 MB of memory in use. ENERGY: 1787600 639.0934 1894.4337 1957.8799 98.5874 0.7232 -1118.6459 0.0000 0.0000 2680.9811 6153.0529 296.1218 3472.0718 6184.3418 296.9798 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: 7181.9, 0.00390905/step Wall: 7181.9, 0.00390905/step, 0.77334 hours remaining, 115.046875 MB of memory in use. ENERGY: 1787800 647.6196 1833.2410 1971.9180 112.4000 0.3931 -1090.8809 0.0000 0.0000 2671.7676 6146.4584 295.1042 3474.6908 6179.6179 298.4132 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: 7182.68, 0.00391082/step Wall: 7182.68, 0.00391082/step, 0.773472 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1788000 642.8166 1831.3431 1956.5448 118.7020 0.7664 -1082.9180 0.0000 0.0000 2774.5866 6241.8416 306.4608 3467.2550 6274.1426 299.3786 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: 7183.47, 0.00390454/step Wall: 7183.47, 0.00390454/step, 0.772014 hours remaining, 115.046875 MB of memory in use. ENERGY: 1788200 633.1336 1861.2890 1945.0417 102.1330 2.7119 -1039.0276 0.0000 0.0000 2744.9188 6250.2003 303.1839 3505.2815 6281.9179 304.7892 LDB: ============= START OF LOAD BALANCING ============== 7186.17 LDB: ============== END OF LOAD BALANCING =============== 7186.17 LDB: =============== DONE WITH MIGRATION ================ 7186.17 LDB: ============= START OF LOAD BALANCING ============== 7186.56 LDB: ============== END OF LOAD BALANCING =============== 7186.56 LDB: =============== DONE WITH MIGRATION ================ 7186.56 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: 7184.25, 0.00391268/step Wall: 7184.25, 0.00391269/step, 0.773408 hours remaining, 115.046875 MB of memory in use. ENERGY: 1788400 665.4013 1860.7914 1968.8617 99.3305 1.9411 -1095.1920 0.0000 0.0000 2742.4770 6243.6110 302.9142 3501.1340 6275.6184 300.9118 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: 7185.03, 0.00390831/step Wall: 7185.03, 0.00390831/step, 0.772326 hours remaining, 115.046875 MB of memory in use. ENERGY: 1788600 668.7719 1833.3122 1952.6796 108.4528 1.0962 -1121.5263 0.0000 0.0000 2750.0184 6192.8049 303.7472 3442.7864 6225.7694 302.0300 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: 7185.81, 0.00390881/step Wall: 7185.81, 0.00390881/step, 0.772208 hours remaining, 115.046875 MB of memory in use. ENERGY: 1788800 594.8299 1881.2169 1953.7870 89.7361 1.5124 -1089.3177 0.0000 0.0000 2720.6929 6152.4574 300.5081 3431.7646 6185.8239 297.9377 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: 7186.59, 0.00390379/step Wall: 7186.59, 0.00390379/step, 0.770999 hours remaining, 115.046875 MB of memory in use. ENERGY: 1789000 651.6749 1866.8496 1970.7345 102.6082 2.9822 -1079.4027 0.0000 0.0000 2698.7813 6214.2281 298.0879 3515.4468 6245.4542 298.3540 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: 7187.37, 0.00390927/step Wall: 7187.37, 0.00390927/step, 0.771865 hours remaining, 115.046875 MB of memory in use. ENERGY: 1789200 679.7402 1836.8246 1952.6729 97.2659 2.3992 -1068.2834 0.0000 0.0000 2748.5679 6249.1874 303.5870 3500.6195 6283.6060 301.7119 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: 7188.16, 0.00390793/step Wall: 7188.16, 0.00390793/step, 0.771382 hours remaining, 115.046875 MB of memory in use. ENERGY: 1789400 678.7692 1880.5026 1959.8749 121.1492 1.7040 -1138.1932 0.0000 0.0000 2716.9214 6220.7282 300.0915 3503.8068 6252.6795 302.6030 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: 7188.94, 0.00391054/step Wall: 7188.94, 0.00391053/step, 0.771678 hours remaining, 115.046875 MB of memory in use. ENERGY: 1789600 647.5711 1844.4456 1962.9867 117.9713 1.3621 -1095.7875 0.0000 0.0000 2697.2025 6175.7519 297.9135 3478.5493 6206.0836 299.8218 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: 7189.72, 0.00391026/step Wall: 7189.72, 0.00391026/step, 0.771407 hours remaining, 115.046875 MB of memory in use. ENERGY: 1789800 669.0857 1822.6911 1924.0535 103.7058 1.1364 -1082.7187 0.0000 0.0000 2713.0335 6150.9874 299.6621 3437.9539 6185.5636 298.8730 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: 7190.5, 0.0039026/step Wall: 7190.5, 0.0039026/step, 0.769678 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1790000 662.0604 1895.1419 1978.6420 102.6441 1.3920 -1105.6323 0.0000 0.0000 2676.1826 6210.4307 295.5918 3534.2481 6239.5163 297.2593 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1790000 WRITING COORDINATES TO DCD FILE MD.1.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: 7191.96, 0.00731696/step Wall: 7191.96, 0.00731696/step, 1.44266 hours remaining, 115.046875 MB of memory in use. ENERGY: 1790200 648.6706 1831.7326 1964.2156 104.7191 2.3914 -1067.4949 0.0000 0.0000 2770.1652 6254.3996 305.9725 3484.2344 6288.4781 302.7500 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: 7192.75, 0.00390937/step Wall: 7192.75, 0.00390937/step, 0.77058 hours remaining, 115.046875 MB of memory in use. ENERGY: 1790400 677.2860 1873.7278 1970.8142 93.3462 1.6480 -1059.6296 0.0000 0.0000 2782.0269 6339.2196 307.2826 3557.1927 6372.4973 305.1598 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: 7193.53, 0.00390312/step Wall: 7193.53, 0.00390312/step, 0.769132 hours remaining, 115.046875 MB of memory in use. ENERGY: 1790600 657.1527 1846.1897 2004.8034 112.5821 -0.0465 -1086.7484 0.0000 0.0000 2765.0287 6298.9617 305.4051 3533.9330 6334.2417 305.9188 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: 7194.31, 0.00390906/step Wall: 7194.31, 0.00390906/step, 0.770085 hours remaining, 115.046875 MB of memory in use. ENERGY: 1790800 683.3767 1894.5416 1999.3095 112.3443 2.7530 -1077.2942 0.0000 0.0000 2699.4692 6314.5001 298.1639 3615.0309 6348.2872 306.2016 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: 7195.09, 0.00391035/step Wall: 7195.09, 0.00391035/step, 0.770122 hours remaining, 115.046875 MB of memory in use. ENERGY: 1791000 694.3813 1882.3464 1966.8674 121.9459 1.4585 -1110.9731 0.0000 0.0000 2740.0188 6296.0453 302.6427 3556.0265 6329.3641 304.8102 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: 7195.87, 0.00391088/step Wall: 7195.87, 0.00391088/step, 0.770009 hours remaining, 115.046875 MB of memory in use. ENERGY: 1791200 659.2118 1906.1067 1983.3168 116.9526 1.3182 -1134.4995 0.0000 0.0000 2707.8360 6240.2427 299.0880 3532.4067 6273.1987 302.8342 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: 7196.65, 0.00390792/step Wall: 7196.65, 0.00390792/step, 0.76921 hours remaining, 115.046875 MB of memory in use. ENERGY: 1791400 593.0293 1868.8089 2005.1697 102.6715 1.4383 -1112.0530 0.0000 0.0000 2727.9605 6187.0254 301.3108 3459.0649 6222.4723 302.6090 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: 7197.43, 0.00390508/step Wall: 7197.43, 0.00390508/step, 0.768434 hours remaining, 115.046875 MB of memory in use. ENERGY: 1791600 632.5931 1870.2524 1922.5631 110.4167 1.0767 -1082.2563 0.0000 0.0000 2728.2484 6182.8941 301.3426 3454.6457 6218.1015 298.8011 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: 7198.22, 0.00391506/step Wall: 7198.22, 0.00391506/step, 0.770179 hours remaining, 115.046875 MB of memory in use. ENERGY: 1791800 661.2382 1832.4942 1972.1031 117.3918 1.1971 -1095.5308 0.0000 0.0000 2692.1935 6181.0869 297.3603 3488.8935 6214.2711 298.7266 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: 7199, 0.00391051/step Wall: 7199, 0.00391051/step, 0.769067 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1792000 676.8039 1827.8011 1950.8750 110.4700 1.5738 -1101.6767 0.0000 0.0000 2741.5674 6207.4143 302.8138 3465.8470 6240.9083 299.8945 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: 7199.78, 0.00390707/step Wall: 7199.78, 0.00390707/step, 0.768174 hours remaining, 115.046875 MB of memory in use. ENERGY: 1792200 663.8051 1846.4998 1944.5319 106.7645 0.4501 -1102.9452 0.0000 0.0000 2757.1030 6216.2093 304.5297 3459.1063 6251.3300 301.5872 LDB: ============= START OF LOAD BALANCING ============== 7202.48 LDB: ============== END OF LOAD BALANCING =============== 7202.48 LDB: =============== DONE WITH MIGRATION ================ 7202.48 LDB: ============= START OF LOAD BALANCING ============== 7202.89 LDB: ============== END OF LOAD BALANCING =============== 7202.89 LDB: =============== DONE WITH MIGRATION ================ 7202.89 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: 7200.58, 0.0039888/step Wall: 7200.58, 0.0039888/step, 0.78402 hours remaining, 115.046875 MB of memory in use. ENERGY: 1792400 654.3500 1856.9296 1937.2461 106.0981 -0.0852 -1109.5681 0.0000 0.0000 2703.3586 6148.3292 298.5935 3444.9705 6182.2630 298.9580 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: 7201.37, 0.00393414/step Wall: 7201.37, 0.00393414/step, 0.773059 hours remaining, 115.046875 MB of memory in use. ENERGY: 1792600 659.0466 1824.1832 1957.2480 97.7950 -0.5450 -1110.4313 0.0000 0.0000 2699.3126 6126.6091 298.1466 3427.2965 6161.1327 296.1326 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: 7202.15, 0.00390646/step Wall: 7202.15, 0.00390646/step, 0.767402 hours remaining, 115.046875 MB of memory in use. ENERGY: 1792800 638.0599 1837.9237 1956.2404 105.2478 1.0088 -1118.2832 0.0000 0.0000 2714.5098 6134.7071 299.8252 3420.1973 6169.2262 297.4749 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: 7202.93, 0.00390396/step Wall: 7202.93, 0.00390395/step, 0.766692 hours remaining, 115.046875 MB of memory in use. ENERGY: 1793000 665.4340 1818.7624 1941.1937 109.4149 0.9180 -1094.6476 0.0000 0.0000 2684.0925 6125.1680 296.4655 3441.0754 6158.9022 296.6624 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: 7203.71, 0.00390592/step Wall: 7203.71, 0.00390592/step, 0.766862 hours remaining, 115.046875 MB of memory in use. ENERGY: 1793200 668.7597 1842.0677 1952.1685 105.7249 0.7075 -1121.2860 0.0000 0.0000 2687.8773 6136.0196 296.8835 3448.1423 6169.3256 296.7540 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: 7204.49, 0.00390382/step Wall: 7204.49, 0.00390382/step, 0.766234 hours remaining, 115.046875 MB of memory in use. ENERGY: 1793400 626.1570 1866.1353 1970.2927 106.5437 1.3273 -1137.0848 0.0000 0.0000 2728.7757 6162.1469 301.4009 3433.3713 6195.7262 297.8331 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: 7205.27, 0.00390493/step Wall: 7205.27, 0.00390493/step, 0.766234 hours remaining, 115.046875 MB of memory in use. ENERGY: 1793600 654.5641 1896.7725 1949.5017 107.4780 0.9265 -1074.7961 0.0000 0.0000 2696.6312 6231.0779 297.8504 3534.4467 6265.3024 301.1480 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: 7206.05, 0.00390815/step Wall: 7206.05, 0.00390815/step, 0.766649 hours remaining, 115.046875 MB of memory in use. ENERGY: 1793800 651.4227 1879.6596 1929.5723 115.8497 2.0446 -1105.6361 0.0000 0.0000 2747.0451 6219.9579 303.4188 3472.9127 6251.6961 302.1562 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: 7206.83, 0.00390574/step Wall: 7206.83, 0.00390574/step, 0.765958 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1794000 651.4634 1886.1685 1928.5541 111.0894 1.9985 -1094.3981 0.0000 0.0000 2730.3481 6215.2239 301.5745 3484.8759 6247.8922 302.2468 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: 7207.61, 0.00390393/step Wall: 7207.61, 0.00390393/step, 0.765388 hours remaining, 115.046875 MB of memory in use. ENERGY: 1794200 636.2840 1905.1305 1932.3182 105.9300 1.0437 -1110.4290 0.0000 0.0000 2704.8613 6175.1387 298.7595 3470.2774 6207.2406 299.8859 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: 7208.4, 0.0039055/step Wall: 7208.4, 0.0039055/step, 0.765477 hours remaining, 115.046875 MB of memory in use. ENERGY: 1794400 628.1246 1907.8737 1938.5772 103.9366 0.9324 -1150.1047 0.0000 0.0000 2752.0701 6181.4099 303.9738 3429.3398 6216.9512 299.0206 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: 7209.18, 0.00392129/step Wall: 7209.18, 0.00392129/step, 0.768355 hours remaining, 115.046875 MB of memory in use. ENERGY: 1794600 647.7822 1864.0075 1946.5119 109.3302 1.6252 -1125.2625 0.0000 0.0000 2736.2577 6180.2522 302.2273 3443.9945 6216.2908 299.1689 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: 7209.96, 0.00390648/step Wall: 7209.96, 0.00390648/step, 0.765236 hours remaining, 115.046875 MB of memory in use. ENERGY: 1794800 697.7399 1840.0779 1967.5345 122.7856 1.9020 -1156.9838 0.0000 0.0000 2699.9380 6172.9941 298.2157 3473.0561 6207.1882 298.5888 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: 7210.74, 0.00390452/step Wall: 7210.74, 0.00390452/step, 0.764634 hours remaining, 115.046875 MB of memory in use. ENERGY: 1795000 663.2008 1873.6700 1960.5305 109.2016 1.4819 -1125.2533 0.0000 0.0000 2718.2511 6201.0824 300.2384 3482.8313 6232.1710 299.2610 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: 7211.52, 0.00390356/step Wall: 7211.52, 0.00390356/step, 0.764231 hours remaining, 115.046875 MB of memory in use. ENERGY: 1795200 647.2266 1952.9022 1947.6767 103.1101 2.1648 -1128.5955 0.0000 0.0000 2707.7231 6232.2079 299.0756 3524.4848 6266.1088 302.6325 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: 7212.3, 0.00390515/step Wall: 7212.3, 0.00390515/step, 0.764325 hours remaining, 115.046875 MB of memory in use. ENERGY: 1795400 671.8368 1858.6134 1954.1923 97.6340 2.0319 -1109.7138 0.0000 0.0000 2729.2212 6203.8158 301.4501 3474.5946 6235.2133 301.9207 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: 7213.08, 0.00390299/step Wall: 7213.08, 0.00390299/step, 0.763685 hours remaining, 115.046875 MB of memory in use. ENERGY: 1795600 635.1309 1872.2738 1963.3473 103.2178 0.6574 -1093.3242 0.0000 0.0000 2713.5322 6194.8351 299.7172 3481.3029 6227.4280 300.3351 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: 7213.87, 0.00390509/step Wall: 7213.87, 0.00390509/step, 0.763879 hours remaining, 115.046875 MB of memory in use. ENERGY: 1795800 636.4079 1878.4497 1959.2659 108.6217 0.8061 -1090.1785 0.0000 0.0000 2736.1716 6229.5444 302.2178 3493.3728 6264.0052 301.7319 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: 7214.65, 0.00390141/step Wall: 7214.65, 0.00390141/step, 0.762943 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1796000 630.2465 1794.0719 1991.9459 100.4495 1.9254 -1121.0519 0.0000 0.0000 2812.0783 6209.6655 310.6019 3397.5872 6245.5193 303.3086 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: 7215.43, 0.00390242/step Wall: 7215.43, 0.00390242/step, 0.762924 hours remaining, 115.046875 MB of memory in use. ENERGY: 1796200 656.6224 1812.5997 1989.5550 102.4927 1.7450 -1101.2494 0.0000 0.0000 2682.6630 6144.4283 296.3076 3461.7653 6177.7051 298.8368 LDB: ============= START OF LOAD BALANCING ============== 7218.13 LDB: ============== END OF LOAD BALANCING =============== 7218.13 LDB: =============== DONE WITH MIGRATION ================ 7218.13 LDB: ============= START OF LOAD BALANCING ============== 7218.52 LDB: ============== END OF LOAD BALANCING =============== 7218.52 LDB: =============== DONE WITH MIGRATION ================ 7218.52 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: 7216.21, 0.003909/step Wall: 7216.21, 0.003909/step, 0.763992 hours remaining, 115.046875 MB of memory in use. ENERGY: 1796400 675.0089 1819.1138 1972.0047 105.0342 0.8985 -1108.1502 0.0000 0.0000 2694.0789 6157.9888 297.5685 3463.9100 6193.7295 296.4152 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: 7216.99, 0.00390216/step Wall: 7216.99, 0.00390216/step, 0.76244 hours remaining, 115.046875 MB of memory in use. ENERGY: 1796600 637.9416 1826.0229 1955.3599 107.6190 0.8886 -1065.1341 0.0000 0.0000 2668.9808 6131.6787 294.7964 3462.6979 6161.2438 295.7731 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: 7217.77, 0.00390354/step Wall: 7217.77, 0.00390354/step, 0.762491 hours remaining, 115.046875 MB of memory in use. ENERGY: 1796800 684.1219 1818.7252 1944.2518 110.3335 -0.1779 -1139.8441 0.0000 0.0000 2712.6580 6130.0682 299.6206 3417.4103 6162.6093 295.8212 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: 7218.55, 0.00390273/step Wall: 7218.55, 0.00390273/step, 0.762116 hours remaining, 115.046875 MB of memory in use. ENERGY: 1797000 647.0528 1802.9842 1949.7077 116.4267 1.4192 -1088.6646 0.0000 0.0000 2655.8447 6084.7707 293.3454 3428.9260 6117.7083 295.9045 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: 7219.33, 0.0039024/step Wall: 7219.33, 0.0039024/step, 0.761835 hours remaining, 115.046875 MB of memory in use. ENERGY: 1797200 625.9626 1839.5256 1993.6151 107.2203 1.5162 -1092.3316 0.0000 0.0000 2652.7385 6128.2467 293.0024 3475.5083 6162.0342 295.0478 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: 7220.11, 0.00390292/step Wall: 7220.11, 0.00390291/step, 0.761718 hours remaining, 115.046875 MB of memory in use. ENERGY: 1797400 635.4339 1873.2099 1962.9458 110.1204 2.8663 -1136.9563 0.0000 0.0000 2647.1520 6094.7720 292.3853 3447.6200 6129.8366 294.9826 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: 7220.89, 0.00390293/step Wall: 7220.89, 0.00390294/step, 0.761507 hours remaining, 115.046875 MB of memory in use. ENERGY: 1797600 641.1601 1822.3548 1925.3642 119.9064 1.5795 -1086.8595 0.0000 0.0000 2691.6783 6115.1837 297.3034 3423.5054 6148.7504 295.4579 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: 7221.67, 0.00390167/step Wall: 7221.67, 0.00390167/step, 0.761042 hours remaining, 115.046875 MB of memory in use. ENERGY: 1797800 703.1318 1850.4538 1949.3195 110.0284 1.8078 -1152.4816 0.0000 0.0000 2665.2025 6127.4622 294.3790 3462.2597 6159.4614 296.4827 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: 7222.45, 0.00390405/step Wall: 7222.45, 0.00390405/step, 0.76129 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1798000 656.4892 1819.3036 1961.7470 103.6553 1.8675 -1118.9973 0.0000 0.0000 2726.6794 6150.7446 301.1693 3424.0652 6182.6107 298.2320 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: 7223.23, 0.00390249/step Wall: 7223.23, 0.00390249/step, 0.760769 hours remaining, 115.046875 MB of memory in use. ENERGY: 1798200 676.3839 1830.2336 1954.2659 110.7688 1.3741 -1137.0644 0.0000 0.0000 2762.8492 6198.8111 305.1644 3435.9618 6233.3478 299.6868 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: 7224.01, 0.00390449/step Wall: 7224.01, 0.00390449/step, 0.760941 hours remaining, 115.046875 MB of memory in use. ENERGY: 1798400 634.9247 1865.0562 1985.2110 106.5432 0.6721 -1088.1020 0.0000 0.0000 2701.3173 6205.6224 298.3680 3504.3052 6239.7138 301.2635 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: 7224.79, 0.00390353/step Wall: 7224.79, 0.00390353/step, 0.760538 hours remaining, 115.046875 MB of memory in use. ENERGY: 1798600 665.5442 1908.4028 1962.0882 116.4484 0.9306 -1105.3464 0.0000 0.0000 2687.6571 6235.7250 296.8592 3548.0679 6268.1523 302.2298 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: 7225.57, 0.00390041/step Wall: 7225.57, 0.00390041/step, 0.759713 hours remaining, 115.046875 MB of memory in use. ENERGY: 1798800 643.0532 1862.7661 1950.9376 101.2298 1.4132 -1118.8266 0.0000 0.0000 2773.1686 6213.7418 306.3042 3440.5732 6248.0839 301.8647 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: 7226.36, 0.00390387/step Wall: 7226.36, 0.00390387/step, 0.760169 hours remaining, 115.046875 MB of memory in use. ENERGY: 1799000 644.4458 1874.8064 1985.9958 93.7481 1.8114 -1102.6256 0.0000 0.0000 2682.4423 6180.6242 296.2832 3498.1819 6215.6047 302.0264 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: 7227.14, 0.00390283/step Wall: 7227.14, 0.00390283/step, 0.759752 hours remaining, 115.046875 MB of memory in use. ENERGY: 1799200 647.7173 1870.9749 1958.6282 106.1723 0.7854 -1121.9046 0.0000 0.0000 2711.6511 6174.0246 299.5094 3462.3734 6207.3380 298.5835 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: 7227.92, 0.00390319/step Wall: 7227.92, 0.00390319/step, 0.759603 hours remaining, 115.046875 MB of memory in use. ENERGY: 1799400 677.6366 1895.8785 1956.2560 116.9225 1.9359 -1116.4916 0.0000 0.0000 2716.8068 6248.9447 300.0789 3532.1378 6281.8922 300.8111 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: 7228.7, 0.00390269/step Wall: 7228.7, 0.00390269/step, 0.75929 hours remaining, 115.046875 MB of memory in use. ENERGY: 1799600 667.2069 1869.5105 1972.3697 101.0236 0.5571 -1102.6888 0.0000 0.0000 2670.3797 6178.3587 294.9509 3507.9790 6208.9835 301.1390 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: 7229.48, 0.00390231/step Wall: 7229.48, 0.00390231/step, 0.758999 hours remaining, 115.046875 MB of memory in use. ENERGY: 1799800 673.1984 1829.0121 1957.4254 103.3747 1.8187 -1130.5993 0.0000 0.0000 2745.8244 6180.0544 303.2840 3434.2300 6214.9736 300.2934 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: 7230.26, 0.00390439/step Wall: 7230.26, 0.00390439/step, 0.759186 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1800000 661.4619 1942.2677 1963.9544 106.2779 0.7141 -1144.7250 0.0000 0.0000 2667.5567 6197.5076 294.6391 3529.9509 6228.4926 300.7533 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1800000 WRITING COORDINATES TO DCD FILE MD.1.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: 7231.12, 0.00430289/step Wall: 7231.12, 0.00430289/step, 0.836434 hours remaining, 115.046875 MB of memory in use. ENERGY: 1800200 669.3524 1872.2384 1950.8677 105.0944 2.0934 -1132.9024 0.0000 0.0000 2747.2380 6213.9820 303.4401 3466.7440 6248.0172 303.3481 LDB: ============= START OF LOAD BALANCING ============== 7233.82 LDB: ============== END OF LOAD BALANCING =============== 7233.82 LDB: =============== DONE WITH MIGRATION ================ 7233.82 LDB: ============= START OF LOAD BALANCING ============== 7234.21 LDB: ============== END OF LOAD BALANCING =============== 7234.21 LDB: =============== DONE WITH MIGRATION ================ 7234.21 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: 7231.9, 0.00392421/step Wall: 7231.9, 0.00392421/step, 0.762605 hours remaining, 115.046875 MB of memory in use. ENERGY: 1800400 690.0011 1854.4554 1939.9303 117.3769 0.7012 -1124.6453 0.0000 0.0000 2735.1828 6213.0024 302.1086 3477.8196 6247.4735 304.1837 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: 7232.68, 0.00390458/step Wall: 7232.68, 0.00390457/step, 0.758571 hours remaining, 115.046875 MB of memory in use. ENERGY: 1800600 648.8475 1873.3762 1945.7845 105.3343 0.9193 -1085.9644 0.0000 0.0000 2698.2018 6186.4992 298.0239 3488.2974 6218.4512 301.2621 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: 7233.47, 0.00390905/step Wall: 7233.47, 0.00390905/step, 0.759225 hours remaining, 115.046875 MB of memory in use. ENERGY: 1800800 652.5160 1901.2034 1948.6943 105.0295 0.7179 -1125.0704 0.0000 0.0000 2702.1407 6185.2313 298.4590 3483.0906 6218.7020 299.9748 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: 7234.25, 0.00390861/step Wall: 7234.25, 0.00390861/step, 0.758922 hours remaining, 115.046875 MB of memory in use. ENERGY: 1801000 641.5542 1844.2934 1956.8254 116.6378 1.2466 -1120.6650 0.0000 0.0000 2779.4929 6219.3853 307.0027 3439.8925 6251.6684 301.6454 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: 7235.03, 0.00391018/step Wall: 7235.03, 0.00391018/step, 0.759009 hours remaining, 115.046875 MB of memory in use. ENERGY: 1801200 619.7479 1869.6261 2000.5410 111.4808 1.2028 -1080.3878 0.0000 0.0000 2717.3111 6239.5220 300.1346 3522.2108 6272.4980 304.1335 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: 7235.81, 0.00390927/step Wall: 7235.81, 0.00390926/step, 0.758615 hours remaining, 115.046875 MB of memory in use. ENERGY: 1801400 647.5171 1882.4008 1967.6458 104.5568 0.8863 -1111.6085 0.0000 0.0000 2776.1089 6267.5071 306.6290 3491.3983 6300.4023 303.5744 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: 7236.59, 0.00390332/step Wall: 7236.59, 0.00390332/step, 0.757245 hours remaining, 115.046875 MB of memory in use. ENERGY: 1801600 647.3170 1879.8037 1972.8911 108.5959 1.9803 -1098.5450 0.0000 0.0000 2751.7150 6263.7580 303.9346 3512.0430 6296.9701 304.1747 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: 7237.37, 0.00390933/step Wall: 7237.37, 0.00390933/step, 0.758192 hours remaining, 115.046875 MB of memory in use. ENERGY: 1801800 673.1657 1860.0861 1995.7093 103.2848 2.9585 -1101.3126 0.0000 0.0000 2749.8940 6283.7857 303.7334 3533.8917 6315.8484 304.6001 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: 7238.16, 0.00392227/step Wall: 7238.16, 0.00392227/step, 0.760484 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1802000 661.0566 1854.5943 1962.0533 117.6109 2.9795 -1095.3580 0.0000 0.0000 2738.9934 6241.9299 302.5294 3502.9365 6276.9164 303.3542 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: 7238.94, 0.00390681/step Wall: 7238.94, 0.00390681/step, 0.757269 hours remaining, 115.046875 MB of memory in use. ENERGY: 1802200 664.2754 1922.4124 1945.5860 116.0884 1.8478 -1099.6419 0.0000 0.0000 2723.7581 6274.3260 300.8467 3550.5680 6303.5521 303.9835 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: 7239.72, 0.0039024/step Wall: 7239.72, 0.0039024/step, 0.756199 hours remaining, 115.046875 MB of memory in use. ENERGY: 1802400 641.7094 1893.0106 1950.7564 114.3051 1.7869 -1112.1569 0.0000 0.0000 2743.0747 6232.4862 302.9802 3489.4115 6265.8292 304.8266 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: 7240.5, 0.00390799/step Wall: 7240.5, 0.00390799/step, 0.757064 hours remaining, 115.046875 MB of memory in use. ENERGY: 1802600 706.3133 1818.9905 1946.7186 107.6442 2.5112 -1088.0240 0.0000 0.0000 2701.6933 6195.8470 298.4096 3494.1536 6225.1946 302.8890 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: 7241.28, 0.00390672/step Wall: 7241.28, 0.00390672/step, 0.756602 hours remaining, 115.046875 MB of memory in use. ENERGY: 1802800 661.8650 1828.3007 1995.2986 108.5470 1.8794 -1090.1468 0.0000 0.0000 2681.5642 6187.3082 296.1862 3505.7439 6220.9667 299.1448 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: 7242.07, 0.00390659/step Wall: 7242.07, 0.00390659/step, 0.756359 hours remaining, 115.046875 MB of memory in use. ENERGY: 1803000 649.3080 1825.6199 1955.3052 103.6765 0.4942 -1099.8812 0.0000 0.0000 2753.4543 6187.9767 304.1267 3434.5224 6221.4667 298.4589 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: 7242.85, 0.00390826/step Wall: 7242.85, 0.00390826/step, 0.756464 hours remaining, 115.046875 MB of memory in use. ENERGY: 1803200 651.4879 1887.7573 1957.6619 112.4739 0.3877 -1112.6177 0.0000 0.0000 2701.2343 6198.3852 298.3589 3497.1509 6228.3940 299.1601 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: 7243.63, 0.00389984/step Wall: 7243.63, 0.00389984/step, 0.75462 hours remaining, 115.046875 MB of memory in use. ENERGY: 1803400 641.2055 1867.5689 1990.1612 108.8998 1.0608 -1124.2108 0.0000 0.0000 2658.9871 6143.6725 293.6925 3484.6854 6175.8260 300.3047 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: 7244.41, 0.00390618/step Wall: 7244.41, 0.00390618/step, 0.755629 hours remaining, 115.046875 MB of memory in use. ENERGY: 1803600 653.0987 1879.3455 1980.8232 106.4458 0.0737 -1155.6447 0.0000 0.0000 2699.5320 6163.6743 298.1708 3464.1422 6196.0678 297.7324 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: 7245.19, 0.00390676/step Wall: 7245.19, 0.00390676/step, 0.755524 hours remaining, 115.046875 MB of memory in use. ENERGY: 1803800 670.4961 1821.5577 1960.0885 113.4881 1.1574 -1138.2762 0.0000 0.0000 2711.4231 6139.9347 299.4842 3428.5116 6174.3008 297.1725 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: 7245.97, 0.0039076/step Wall: 7245.97, 0.0039076/step, 0.75547 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1804000 653.5608 1862.7200 1966.4815 121.3319 1.6891 -1140.6089 0.0000 0.0000 2690.3008 6155.4753 297.1512 3465.1745 6188.0249 297.4013 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: 7246.75, 0.00390312/step Wall: 7246.75, 0.00390311/step, 0.754385 hours remaining, 115.046875 MB of memory in use. ENERGY: 1804200 653.0351 1896.9819 1956.8846 116.1080 2.7481 -1151.5053 0.0000 0.0000 2744.8746 6219.1270 303.1790 3474.2524 6249.2104 301.8838 LDB: ============= START OF LOAD BALANCING ============== 7249.45 LDB: ============== END OF LOAD BALANCING =============== 7249.45 LDB: =============== DONE WITH MIGRATION ================ 7249.45 LDB: ============= START OF LOAD BALANCING ============== 7249.84 LDB: ============== END OF LOAD BALANCING =============== 7249.84 LDB: =============== DONE WITH MIGRATION ================ 7249.84 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: 7247.53, 0.00391043/step Wall: 7247.53, 0.00391044/step, 0.755583 hours remaining, 115.046875 MB of memory in use. ENERGY: 1804400 659.1666 1867.8919 1965.0075 114.9213 0.3216 -1133.4509 0.0000 0.0000 2687.0053 6160.8633 296.7872 3473.8580 6193.0575 301.7661 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: 7248.32, 0.00390854/step Wall: 7248.32, 0.00390854/step, 0.755001 hours remaining, 115.046875 MB of memory in use. ENERGY: 1804600 670.1914 1867.9479 1962.4440 106.7658 1.2403 -1117.6507 0.0000 0.0000 2679.9545 6170.8931 296.0084 3490.9386 6204.2475 298.5101 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: 7249.1, 0.0039072/step Wall: 7249.1, 0.0039072/step, 0.754525 hours remaining, 115.046875 MB of memory in use. ENERGY: 1804800 661.7480 1822.3105 1967.1988 108.0293 0.6244 -1118.9934 0.0000 0.0000 2762.3798 6203.2974 305.1125 3440.9176 6237.1275 300.5809 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: 7249.88, 0.00390744/step Wall: 7249.88, 0.00390744/step, 0.754353 hours remaining, 115.046875 MB of memory in use. ENERGY: 1805000 650.1087 1819.7096 1955.3187 108.4046 0.3145 -1125.6075 0.0000 0.0000 2743.9932 6152.2418 303.0817 3408.2486 6187.4294 299.0650 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: 7250.66, 0.00390244/step Wall: 7250.66, 0.00390244/step, 0.753172 hours remaining, 115.046875 MB of memory in use. ENERGY: 1805200 661.6907 1821.6456 1963.7652 111.1254 0.7636 -1116.9334 0.0000 0.0000 2742.9395 6184.9967 302.9653 3442.0572 6221.6514 299.6109 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: 7251.44, 0.00390852/step Wall: 7251.44, 0.00390852/step, 0.754128 hours remaining, 115.046875 MB of memory in use. ENERGY: 1805400 652.9105 1850.6575 1960.9669 120.6364 1.3820 -1101.7856 0.0000 0.0000 2693.4030 6178.1707 297.4939 3484.7677 6209.5054 301.5393 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: 7252.22, 0.00390759/step Wall: 7252.22, 0.00390759/step, 0.753731 hours remaining, 115.046875 MB of memory in use. ENERGY: 1805600 649.3719 1789.7612 1960.8597 120.7229 3.2416 -1051.6110 0.0000 0.0000 2717.4052 6189.7514 300.1450 3472.3463 6223.3918 299.1094 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: 7253, 0.00390782/step Wall: 7253, 0.00390782/step, 0.753557 hours remaining, 115.046875 MB of memory in use. ENERGY: 1805800 662.9027 1820.2324 1982.2772 96.7650 2.5804 -1084.0566 0.0000 0.0000 2728.8610 6209.5621 301.4103 3480.7011 6246.9897 299.0163 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: 7253.79, 0.00390818/step Wall: 7253.79, 0.00390818/step, 0.75341 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1806000 662.2747 1833.7370 1949.0340 116.1173 1.0766 -1114.6959 0.0000 0.0000 2762.5042 6210.0479 305.1263 3447.5437 6248.9244 302.0821 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: 7254.57, 0.00390219/step Wall: 7254.57, 0.00390219/step, 0.75204 hours remaining, 115.046875 MB of memory in use. ENERGY: 1806200 668.8248 1830.4843 1945.1048 110.9473 2.1256 -1093.5587 0.0000 0.0000 2683.5808 6147.5089 296.4090 3463.9282 6177.5239 299.0234 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: 7255.35, 0.00390803/step Wall: 7255.35, 0.00390803/step, 0.752946 hours remaining, 115.046875 MB of memory in use. ENERGY: 1806400 653.9501 1822.6582 1941.8703 108.6821 0.1344 -1102.5356 0.0000 0.0000 2739.1904 6163.9499 302.5512 3424.7595 6200.9220 298.6921 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: 7256.13, 0.00390653/step Wall: 7256.13, 0.00390653/step, 0.752441 hours remaining, 115.046875 MB of memory in use. ENERGY: 1806600 646.8891 1885.7279 1940.3433 118.1615 0.3380 -1099.5406 0.0000 0.0000 2681.7033 6173.6224 296.2016 3491.9192 6207.0793 299.9657 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: 7256.91, 0.00390645/step Wall: 7256.91, 0.00390645/step, 0.752209 hours remaining, 115.046875 MB of memory in use. ENERGY: 1806800 674.3354 1823.0111 1939.9075 113.5297 0.6222 -1109.8472 0.0000 0.0000 2636.0037 6077.5624 291.1540 3441.5587 6109.4653 296.5738 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: 7257.69, 0.00390216/step Wall: 7257.69, 0.00390216/step, 0.751167 hours remaining, 115.046875 MB of memory in use. ENERGY: 1807000 669.3714 1841.0070 1936.0232 112.5414 -0.5793 -1088.7855 0.0000 0.0000 2698.7243 6168.3025 298.0816 3469.5782 6199.6954 296.9442 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: 7258.47, 0.00390862/step Wall: 7258.47, 0.00390862/step, 0.752191 hours remaining, 115.046875 MB of memory in use. ENERGY: 1807200 649.2777 1828.4001 1933.7099 107.0302 0.4923 -1108.2749 0.0000 0.0000 2722.5573 6133.1927 300.7140 3410.6354 6167.7780 299.1237 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: 7259.25, 0.00390807/step Wall: 7259.25, 0.00390807/step, 0.751869 hours remaining, 115.046875 MB of memory in use. ENERGY: 1807400 680.1198 1840.8687 1945.4844 105.9967 0.3600 -1116.1375 0.0000 0.0000 2726.9864 6183.6785 301.2032 3456.6921 6217.2806 300.6961 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: 7260.04, 0.00390818/step Wall: 7260.04, 0.00390818/step, 0.751674 hours remaining, 115.046875 MB of memory in use. ENERGY: 1807600 662.4276 1857.5323 1962.9883 100.4253 0.5165 -1118.3309 0.0000 0.0000 2761.7946 6227.3537 305.0479 3465.5591 6262.6153 301.8781 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: 7260.82, 0.00390918/step Wall: 7260.82, 0.00390918/step, 0.751649 hours remaining, 115.046875 MB of memory in use. ENERGY: 1807800 643.3645 1840.7464 1987.5533 118.5614 0.8524 -1097.7211 0.0000 0.0000 2679.1617 6172.5188 295.9209 3493.3571 6205.1675 299.1819 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: 7261.6, 0.0039037/step Wall: 7261.6, 0.0039037/step, 0.750379 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1808000 650.7670 1922.2517 1948.0690 113.2927 0.9979 -1117.0193 0.0000 0.0000 2708.5953 6226.9543 299.1719 3518.3590 6259.8877 298.5552 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: 7262.38, 0.00390975/step Wall: 7262.38, 0.00390975/step, 0.751325 hours remaining, 115.046875 MB of memory in use. ENERGY: 1808200 657.7462 1905.5606 1935.9642 113.2228 0.6107 -1103.0012 0.0000 0.0000 2703.3125 6213.4159 298.5884 3510.1034 6244.1442 302.1055 LDB: ============= START OF LOAD BALANCING ============== 7265.08 LDB: ============== END OF LOAD BALANCING =============== 7265.08 LDB: =============== DONE WITH MIGRATION ================ 7265.08 LDB: ============= START OF LOAD BALANCING ============== 7265.47 LDB: ============== END OF LOAD BALANCING =============== 7265.47 LDB: =============== DONE WITH MIGRATION ================ 7265.47 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: 7263.16, 0.00391412/step Wall: 7263.16, 0.00391412/step, 0.751946 hours remaining, 115.046875 MB of memory in use. ENERGY: 1808400 647.5382 1814.5621 1975.8610 115.9402 0.8592 -1102.8182 0.0000 0.0000 2796.1349 6248.0773 308.8409 3451.9424 6283.4435 304.3244 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: 7263.94, 0.00390875/step Wall: 7263.94, 0.00390875/step, 0.750697 hours remaining, 115.046875 MB of memory in use. ENERGY: 1808600 638.3661 1879.3438 1977.5904 120.3454 1.5139 -1106.3873 0.0000 0.0000 2718.1948 6228.9671 300.2322 3510.7723 6260.9308 302.6785 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: 7264.73, 0.00390354/step Wall: 7264.73, 0.00390354/step, 0.74948 hours remaining, 115.046875 MB of memory in use. ENERGY: 1808800 633.9399 1802.9367 1979.6233 111.1939 0.4531 -1063.9278 0.0000 0.0000 2762.9907 6227.2097 305.1800 3464.2190 6262.0970 301.5790 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: 7265.51, 0.00390757/step Wall: 7265.51, 0.00390757/step, 0.750036 hours remaining, 115.046875 MB of memory in use. ENERGY: 1809000 675.3026 1877.9893 1950.1639 85.5667 1.5243 -1086.7042 0.0000 0.0000 2740.6192 6244.4617 302.7090 3503.8425 6278.5434 301.2369 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: 7266.29, 0.00390929/step Wall: 7266.29, 0.00390929/step, 0.75015 hours remaining, 115.046875 MB of memory in use. ENERGY: 1809200 631.3852 1829.7438 1945.5794 111.8734 1.6948 -1093.8894 0.0000 0.0000 2779.6617 6206.0490 307.0214 3426.3873 6242.4406 301.0752 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: 7267.07, 0.00391034/step Wall: 7267.07, 0.00391034/step, 0.750134 hours remaining, 115.046875 MB of memory in use. ENERGY: 1809400 679.5104 1873.4743 1936.7245 122.2627 -0.2229 -1092.6816 0.0000 0.0000 2694.2858 6213.3532 297.5914 3519.0674 6244.7807 299.2794 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: 7267.85, 0.00391104/step Wall: 7267.85, 0.00391104/step, 0.75005 hours remaining, 115.046875 MB of memory in use. ENERGY: 1809600 645.7110 1847.3662 1960.5154 98.4104 1.6371 -1067.6656 0.0000 0.0000 2763.1249 6249.0993 305.1948 3485.9744 6281.3681 302.1840 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: 7268.63, 0.00390343/step Wall: 7268.63, 0.00390343/step, 0.748375 hours remaining, 115.046875 MB of memory in use. ENERGY: 1809800 671.0100 1850.9211 1958.4463 95.7750 0.8548 -1099.7045 0.0000 0.0000 2776.2405 6253.5433 306.6435 3477.3028 6289.2048 303.6357 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: 7269.42, 0.00392528/step Wall: 7269.42, 0.00392528/step, 0.752345 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1810000 647.0662 1912.3860 1993.3602 107.9331 2.2972 -1146.8784 0.0000 0.0000 2741.3440 6257.5084 302.7891 3516.1644 6290.7791 303.3368 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1810000 WRITING COORDINATES TO DCD FILE MD.1.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: 7271.38, 0.00980345/step Wall: 7271.38, 0.00980345/step, 1.87845 hours remaining, 115.046875 MB of memory in use. ENERGY: 1810200 662.3124 1902.0226 1977.6453 126.0089 1.5295 -1134.2558 0.0000 0.0000 2726.6373 6261.9002 301.1647 3535.2629 6293.8794 302.2726 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: 7272.16, 0.00391171/step Wall: 7272.16, 0.0039117/step, 0.749308 hours remaining, 115.046875 MB of memory in use. ENERGY: 1810400 644.1893 1826.6838 1959.9086 118.4599 1.3990 -1135.3206 0.0000 0.0000 2836.7672 6252.0872 313.3288 3415.3200 6291.3395 305.0379 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: 7272.94, 0.00390896/step Wall: 7272.94, 0.00390896/step, 0.748566 hours remaining, 115.046875 MB of memory in use. ENERGY: 1810600 665.4038 1850.7851 1948.4198 119.9958 0.9452 -1107.0321 0.0000 0.0000 2700.9943 6179.5119 298.3323 3478.5176 6211.7745 302.4769 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: 7273.72, 0.0039039/step Wall: 7273.72, 0.0039039/step, 0.74738 hours remaining, 115.046875 MB of memory in use. ENERGY: 1810800 640.2956 1892.5039 1929.5432 100.5684 1.8710 -1104.4814 0.0000 0.0000 2679.1177 6139.4183 295.9160 3460.3006 6171.3685 298.4720 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: 7274.51, 0.00391065/step Wall: 7274.51, 0.00391064/step, 0.748453 hours remaining, 115.046875 MB of memory in use. ENERGY: 1811000 655.9418 1872.4526 1937.4272 106.3609 1.7931 -1097.8879 0.0000 0.0000 2675.1062 6151.1938 295.4729 3476.0877 6184.3346 297.5637 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: 7275.29, 0.00390898/step Wall: 7275.29, 0.00390898/step, 0.747918 hours remaining, 115.046875 MB of memory in use. ENERGY: 1811200 660.1513 1886.1053 1921.6092 107.9597 1.0604 -1111.9300 0.0000 0.0000 2698.3583 6163.3142 298.0412 3464.9559 6198.9512 297.1429 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: 7276.07, 0.00391163/step Wall: 7276.07, 0.00391163/step, 0.748208 hours remaining, 115.046875 MB of memory in use. ENERGY: 1811400 640.7343 1874.2814 1927.2666 119.2048 0.9011 -1111.5709 0.0000 0.0000 2723.6263 6174.4435 300.8321 3450.8172 6208.4950 298.6973 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: 7276.85, 0.00391057/step Wall: 7276.85, 0.00391057/step, 0.747788 hours remaining, 115.046875 MB of memory in use. ENERGY: 1811600 633.5439 1842.2103 1940.0435 114.4777 1.6401 -1100.9030 0.0000 0.0000 2700.2668 6131.2794 298.2520 3431.0126 6163.9998 298.2733 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: 7277.63, 0.00390328/step Wall: 7277.63, 0.00390328/step, 0.746177 hours remaining, 115.046875 MB of memory in use. ENERGY: 1811800 641.4008 1845.7685 1937.7641 102.5409 2.4422 -1108.4612 0.0000 0.0000 2729.4196 6150.8749 301.4720 3421.4553 6185.9707 297.3042 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: 7278.42, 0.00391693/step Wall: 7278.42, 0.00391693/step, 0.748568 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1812000 699.7534 1823.7892 1936.3394 97.7710 0.9157 -1097.3006 0.0000 0.0000 2764.1256 6225.3938 305.3054 3461.2682 6259.3753 300.1330 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: 7279.2, 0.00390638/step Wall: 7279.2, 0.00390638/step, 0.746335 hours remaining, 115.046875 MB of memory in use. ENERGY: 1812200 679.7428 1887.6162 1957.5464 122.3785 2.9360 -1082.8146 0.0000 0.0000 2703.5774 6270.9827 298.6177 3567.4053 6299.6459 303.9116 LDB: ============= START OF LOAD BALANCING ============== 7281.9 LDB: ============== END OF LOAD BALANCING =============== 7281.9 LDB: =============== DONE WITH MIGRATION ================ 7281.9 LDB: ============= START OF LOAD BALANCING ============== 7282.29 LDB: ============== END OF LOAD BALANCING =============== 7282.29 LDB: =============== DONE WITH MIGRATION ================ 7282.29 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: 7279.98, 0.00391252/step Wall: 7279.98, 0.00391252/step, 0.74729 hours remaining, 115.046875 MB of memory in use. ENERGY: 1812400 647.3528 1910.6024 1947.5963 107.3289 1.0893 -1112.5125 0.0000 0.0000 2761.3220 6262.7793 304.9957 3501.4572 6298.6041 303.5366 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: 7280.76, 0.0039019/step Wall: 7280.76, 0.0039019/step, 0.745047 hours remaining, 115.046875 MB of memory in use. ENERGY: 1812600 657.7340 1887.9282 1977.2512 116.8412 1.9008 -1065.1800 0.0000 0.0000 2692.1251 6268.6004 297.3527 3576.4753 6295.9323 304.4843 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: 7281.54, 0.00390487/step Wall: 7281.54, 0.00390487/step, 0.745396 hours remaining, 115.046875 MB of memory in use. ENERGY: 1812800 637.9289 1893.3152 1991.2240 110.2171 0.3276 -1102.3842 0.0000 0.0000 2716.9964 6247.6251 300.0998 3530.6287 6280.7179 304.2712 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: 7282.32, 0.00390538/step Wall: 7282.32, 0.00390538/step, 0.745277 hours remaining, 115.046875 MB of memory in use. ENERGY: 1813000 662.7932 1897.0907 1952.7603 117.3146 0.9110 -1065.8444 0.0000 0.0000 2720.4040 6285.4295 300.4762 3565.0254 6319.7051 303.3834 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: 7283.1, 0.00390567/step Wall: 7283.1, 0.00390567/step, 0.745114 hours remaining, 115.046875 MB of memory in use. ENERGY: 1813200 664.5883 1922.4541 1954.5734 107.0889 1.5773 -1077.7374 0.0000 0.0000 2706.1456 6278.6903 298.9013 3572.5447 6308.1487 302.4492 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: 7283.89, 0.00390617/step Wall: 7283.89, 0.00390617/step, 0.744993 hours remaining, 115.046875 MB of memory in use. ENERGY: 1813400 657.4017 1854.3758 1961.7378 109.7546 1.6066 -1108.1579 0.0000 0.0000 2779.3114 6256.0299 306.9827 3476.7186 6291.9234 304.4781 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: 7284.67, 0.00390142/step Wall: 7284.67, 0.00390142/step, 0.743872 hours remaining, 115.046875 MB of memory in use. ENERGY: 1813600 680.6461 1849.4584 1967.0218 119.6121 1.3297 -1105.0534 0.0000 0.0000 2750.1766 6263.1913 303.7647 3513.0147 6297.9530 304.8150 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: 7285.45, 0.00390586/step Wall: 7285.45, 0.00390586/step, 0.744501 hours remaining, 115.046875 MB of memory in use. ENERGY: 1813800 689.1568 1902.7716 1976.5944 116.4612 1.4995 -1124.6805 0.0000 0.0000 2744.7784 6306.5814 303.1684 3561.8030 6339.6510 305.5923 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: 7286.23, 0.00390533/step Wall: 7286.23, 0.00390533/step, 0.744182 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1814000 680.9024 1869.8125 1968.7185 123.6817 0.0232 -1114.8897 0.0000 0.0000 2773.2748 6301.5234 306.3159 3528.2486 6334.2612 306.6467 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: 7287.01, 0.00390676/step Wall: 7287.01, 0.00390676/step, 0.744238 hours remaining, 115.046875 MB of memory in use. ENERGY: 1814200 647.5559 1894.8223 1971.6797 106.1397 0.1064 -1108.8850 0.0000 0.0000 2759.5142 6270.9332 304.7960 3511.4190 6303.7823 304.1803 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: 7287.79, 0.00390278/step Wall: 7287.79, 0.00390278/step, 0.743262 hours remaining, 115.046875 MB of memory in use. ENERGY: 1814400 670.5401 1861.2816 1985.2972 107.2207 1.1811 -1095.8457 0.0000 0.0000 2721.0460 6250.7211 300.5471 3529.6750 6281.5307 302.3413 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: 7288.57, 0.0039083/step Wall: 7288.57, 0.0039083/step, 0.744096 hours remaining, 115.046875 MB of memory in use. ENERGY: 1814600 619.7046 1899.3777 1947.1383 114.4056 1.3490 -1125.3004 0.0000 0.0000 2743.2277 6199.9026 302.9971 3456.6749 6236.3960 300.7020 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: 7289.35, 0.00390681/step Wall: 7289.35, 0.00390681/step, 0.743596 hours remaining, 115.046875 MB of memory in use. ENERGY: 1814800 671.7200 1843.1899 1948.0148 110.2291 1.4042 -1114.5538 0.0000 0.0000 2737.6955 6197.6996 302.3861 3460.0041 6229.1570 300.2705 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: 7290.13, 0.00390884/step Wall: 7290.13, 0.00390884/step, 0.743765 hours remaining, 115.046875 MB of memory in use. ENERGY: 1815000 653.7253 1799.5600 1946.3285 112.1617 1.0267 -1057.7881 0.0000 0.0000 2745.3680 6200.3821 303.2335 3455.0141 6236.4791 300.3791 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: 7290.92, 0.00390902/step Wall: 7290.92, 0.00390902/step, 0.743583 hours remaining, 115.046875 MB of memory in use. ENERGY: 1815200 673.5506 1868.5190 1959.4798 114.9670 0.9721 -1090.9888 0.0000 0.0000 2638.8833 6165.3830 291.4720 3526.4997 6195.4387 299.0431 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: 7291.7, 0.00390224/step Wall: 7291.7, 0.00390224/step, 0.742076 hours remaining, 115.046875 MB of memory in use. ENERGY: 1815400 618.9005 1859.3475 1974.4141 105.8927 1.1194 -1111.7445 0.0000 0.0000 2707.3838 6155.3135 299.0381 3447.9297 6191.5416 297.5716 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: 7292.48, 0.00390642/step Wall: 7292.48, 0.00390642/step, 0.742654 hours remaining, 115.046875 MB of memory in use. ENERGY: 1815600 664.1605 1902.4660 1963.3362 108.3061 1.3330 -1127.1489 0.0000 0.0000 2683.8888 6196.3417 296.4430 3512.4529 6227.8012 298.5838 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: 7293.26, 0.00390715/step Wall: 7293.26, 0.00390715/step, 0.742575 hours remaining, 115.046875 MB of memory in use. ENERGY: 1815800 678.7755 1843.6092 1974.8220 114.9033 1.2837 -1099.8742 0.0000 0.0000 2756.0193 6269.5389 304.4100 3513.5196 6304.1540 301.9073 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: 7294.04, 0.00390808/step Wall: 7294.04, 0.00390808/step, 0.742535 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1816000 623.3831 1859.6155 1970.6585 108.6477 1.4174 -1054.8862 0.0000 0.0000 2740.1298 6248.9658 302.6550 3508.8360 6283.5021 302.2063 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: 7294.82, 0.00390284/step Wall: 7294.82, 0.00390284/step, 0.741323 hours remaining, 115.046875 MB of memory in use. ENERGY: 1816200 673.3866 1904.9676 1986.4173 118.5505 0.9967 -1096.4175 0.0000 0.0000 2711.5712 6299.4725 299.5006 3587.9013 6329.0572 303.2756 LDB: ============= START OF LOAD BALANCING ============== 7297.52 LDB: ============== END OF LOAD BALANCING =============== 7297.52 LDB: =============== DONE WITH MIGRATION ================ 7297.52 LDB: ============= START OF LOAD BALANCING ============== 7297.91 LDB: ============== END OF LOAD BALANCING =============== 7297.91 LDB: =============== DONE WITH MIGRATION ================ 7297.91 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: 7295.6, 0.00391372/step Wall: 7295.6, 0.00391372/step, 0.743173 hours remaining, 115.046875 MB of memory in use. ENERGY: 1816400 659.0271 1842.3972 1943.3877 111.1518 0.5380 -1064.2053 0.0000 0.0000 2782.9356 6275.2323 307.3830 3492.2966 6308.1212 304.5245 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: 7296.39, 0.00390864/step Wall: 7296.39, 0.00390864/step, 0.741991 hours remaining, 115.046875 MB of memory in use. ENERGY: 1816600 670.0279 1883.6466 1945.0330 102.4824 1.7872 -1102.1225 0.0000 0.0000 2707.9255 6208.7801 299.0979 3500.8546 6243.2722 302.6659 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: 7297.17, 0.00390663/step Wall: 7297.17, 0.00390663/step, 0.741391 hours remaining, 115.046875 MB of memory in use. ENERGY: 1816800 644.4689 1863.9625 1969.8137 109.2386 0.8599 -1119.8620 0.0000 0.0000 2726.5965 6195.0781 301.1602 3468.4817 6229.1074 299.3460 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: 7297.95, 0.00390841/step Wall: 7297.95, 0.00390841/step, 0.741512 hours remaining, 115.046875 MB of memory in use. ENERGY: 1817000 689.7719 1842.0653 1947.8034 104.5596 0.9929 -1088.6474 0.0000 0.0000 2739.2120 6235.7576 302.5536 3496.5456 6269.3571 302.6824 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: 7298.73, 0.00390415/step Wall: 7298.73, 0.00390415/step, 0.740487 hours remaining, 115.046875 MB of memory in use. ENERGY: 1817200 659.2383 1841.0676 1944.1868 121.2393 2.2570 -1059.9683 0.0000 0.0000 2751.6409 6259.6616 303.9264 3508.0207 6293.1124 301.9583 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: 7299.51, 0.00390844/step Wall: 7299.51, 0.00390844/step, 0.741084 hours remaining, 115.046875 MB of memory in use. ENERGY: 1817400 690.5587 1824.1303 1971.0852 112.4934 0.8252 -1100.4549 0.0000 0.0000 2742.7334 6241.3714 302.9425 3498.6379 6276.9562 303.2597 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: 7300.29, 0.00391058/step Wall: 7300.29, 0.00391058/step, 0.741272 hours remaining, 115.046875 MB of memory in use. ENERGY: 1817600 653.6836 1864.2695 1942.7293 114.6208 0.8154 -1101.3826 0.0000 0.0000 2736.7973 6211.5332 302.2869 3474.7359 6245.4163 300.1558 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: 7301.08, 0.00391013/step Wall: 7301.08, 0.00391012/step, 0.740969 hours remaining, 115.046875 MB of memory in use. ENERGY: 1817800 646.6247 1835.7401 1957.1123 99.4253 0.2954 -1068.7572 0.0000 0.0000 2725.8185 6196.2591 301.0742 3470.4406 6227.5803 300.3906 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: 7301.86, 0.00390487/step Wall: 7301.86, 0.00390488/step, 0.739757 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1818000 614.4634 1837.8383 1962.9371 104.2346 0.4803 -1060.8058 0.0000 0.0000 2778.0124 6237.1603 306.8392 3459.1479 6271.6822 301.3200 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: 7302.64, 0.00391012/step Wall: 7302.64, 0.00391012/step, 0.740533 hours remaining, 115.046875 MB of memory in use. ENERGY: 1818200 635.2973 1824.9761 1981.7722 114.7720 0.5975 -1102.9849 0.0000 0.0000 2771.0513 6225.4815 306.0703 3454.4302 6261.2839 300.2945 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: 7303.42, 0.00390949/step Wall: 7303.42, 0.00390949/step, 0.740198 hours remaining, 115.046875 MB of memory in use. ENERGY: 1818400 646.9617 1857.9736 1945.9157 106.1757 2.3146 -1096.7851 0.0000 0.0000 2730.8531 6193.4093 301.6303 3462.5562 6227.7614 300.6598 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: 7304.2, 0.00390764/step Wall: 7304.2, 0.00390764/step, 0.739629 hours remaining, 115.046875 MB of memory in use. ENERGY: 1818600 661.4285 1876.6557 1962.0986 105.3847 0.5435 -1085.6923 0.0000 0.0000 2704.3519 6224.7705 298.7032 3520.4186 6255.8388 298.5862 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: 7304.98, 0.00390867/step Wall: 7304.98, 0.00390867/step, 0.739606 hours remaining, 115.046875 MB of memory in use. ENERGY: 1818800 663.9468 1881.2222 1942.4620 114.0736 0.5293 -1090.0552 0.0000 0.0000 2745.6544 6257.8332 303.2652 3512.1788 6295.9318 301.3432 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: 7305.76, 0.00390455/step Wall: 7305.76, 0.00390455/step, 0.738612 hours remaining, 115.046875 MB of memory in use. ENERGY: 1819000 659.7252 1858.5688 1940.6907 105.8404 2.1802 -1092.1266 0.0000 0.0000 2728.1079 6202.9866 301.3271 3474.8787 6236.8404 302.7670 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: 7306.55, 0.00390765/step Wall: 7306.55, 0.00390765/step, 0.73898 hours remaining, 115.046875 MB of memory in use. ENERGY: 1819200 647.7046 1850.3890 1996.0670 108.1934 1.3799 -1169.7637 0.0000 0.0000 2727.9940 6161.9642 301.3145 3433.9701 6193.5206 301.2735 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: 7307.33, 0.00390673/step Wall: 7307.33, 0.00390673/step, 0.738589 hours remaining, 115.046875 MB of memory in use. ENERGY: 1819400 654.9270 1789.3057 1983.5348 94.5693 1.0165 -1111.2022 0.0000 0.0000 2694.1754 6106.3265 297.5792 3412.1511 6138.3578 297.7808 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: 7308.11, 0.00390735/step Wall: 7308.11, 0.00390735/step, 0.738489 hours remaining, 115.046875 MB of memory in use. ENERGY: 1819600 647.8615 1862.2574 1952.4148 107.7786 1.4274 -1105.5532 0.0000 0.0000 2639.1133 6105.2999 291.4974 3466.1866 6139.1286 294.8640 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: 7308.89, 0.00390801/step Wall: 7308.89, 0.00390801/step, 0.738397 hours remaining, 115.046875 MB of memory in use. ENERGY: 1819800 660.9836 1784.3746 1984.2941 108.2376 1.2275 -1124.1413 0.0000 0.0000 2668.0069 6082.9829 294.6888 3414.9761 6116.2816 294.7683 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: 7309.67, 0.00390301/step Wall: 7309.67, 0.00390302/step, 0.737236 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1820000 654.3131 1779.5792 1952.7166 104.3992 1.8360 -1090.9354 0.0000 0.0000 2677.4277 6079.3365 295.7294 3401.9088 6113.2018 294.0910 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1820000 WRITING COORDINATES TO DCD FILE MD.1.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: 7310.48, 0.00405485/step Wall: 7310.48, 0.00405485/step, 0.765691 hours remaining, 115.046875 MB of memory in use. ENERGY: 1820200 676.0837 1800.6292 1975.7855 107.7792 1.7325 -1115.1202 0.0000 0.0000 2654.0984 6100.9883 293.1526 3446.8899 6133.0660 295.0435 LDB: ============= START OF LOAD BALANCING ============== 7313.18 LDB: ============== END OF LOAD BALANCING =============== 7313.18 LDB: =============== DONE WITH MIGRATION ================ 7313.18 LDB: ============= START OF LOAD BALANCING ============== 7313.57 LDB: ============== END OF LOAD BALANCING =============== 7313.57 LDB: =============== DONE WITH MIGRATION ================ 7313.57 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: 7311.26, 0.00391122/step Wall: 7311.26, 0.00391122/step, 0.73835 hours remaining, 115.046875 MB of memory in use. ENERGY: 1820400 656.3132 1821.1847 1969.7499 112.3820 1.7793 -1081.8068 0.0000 0.0000 2689.1045 6168.7068 297.0191 3479.6023 6199.8552 297.6032 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: 7312.05, 0.00390746/step Wall: 7312.05, 0.00390746/step, 0.737425 hours remaining, 115.046875 MB of memory in use. ENERGY: 1820600 681.9459 1870.2923 1941.7146 102.6697 0.9095 -1104.9147 0.0000 0.0000 2657.6772 6150.2944 293.5478 3492.6173 6182.5845 297.6198 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: 7312.83, 0.00390464/step Wall: 7312.83, 0.00390464/step, 0.736676 hours remaining, 115.046875 MB of memory in use. ENERGY: 1820800 643.0670 1811.2857 1957.9571 130.2584 2.0262 -1074.2258 0.0000 0.0000 2698.1604 6168.5289 298.0193 3470.3685 6201.1499 299.7506 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: 7313.61, 0.00390669/step Wall: 7313.61, 0.00390669/step, 0.736844 hours remaining, 115.046875 MB of memory in use. ENERGY: 1821000 608.6562 1809.2697 1982.6304 104.1767 2.3953 -1067.8580 0.0000 0.0000 2667.1328 6106.4032 294.5923 3439.2703 6138.0585 296.4204 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: 7314.39, 0.00390898/step Wall: 7314.39, 0.00390898/step, 0.737059 hours remaining, 115.046875 MB of memory in use. ENERGY: 1821200 642.5326 1834.2463 1919.4701 98.8102 1.0966 -1078.8216 0.0000 0.0000 2716.2845 6133.6187 300.0212 3417.3342 6169.0823 295.9666 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: 7315.17, 0.00390709/step Wall: 7315.17, 0.00390709/step, 0.736486 hours remaining, 115.046875 MB of memory in use. ENERGY: 1821400 658.2102 1806.7655 1985.9542 110.1181 1.6487 -1099.2120 0.0000 0.0000 2731.7129 6195.1975 301.7253 3463.4846 6229.5369 298.0008 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: 7315.95, 0.00390741/step Wall: 7315.95, 0.00390741/step, 0.736329 hours remaining, 115.046875 MB of memory in use. ENERGY: 1821600 672.2876 1824.0028 1957.8116 106.3653 1.1892 -1053.7454 0.0000 0.0000 2733.3697 6241.2808 301.9083 3507.9111 6271.6892 302.3033 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: 7316.73, 0.00390414/step Wall: 7316.73, 0.00390414/step, 0.735497 hours remaining, 115.046875 MB of memory in use. ENERGY: 1821800 677.5814 1836.8437 1976.8592 116.2651 2.3978 -1063.6588 0.0000 0.0000 2703.0970 6249.3852 298.5646 3546.2882 6282.3578 303.6991 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: 7317.52, 0.00390742/step Wall: 7317.52, 0.00390742/step, 0.735898 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1822000 648.6009 1834.7931 1915.8849 120.9257 0.2735 -1052.1803 0.0000 0.0000 2785.9778 6254.2754 307.7190 3468.2977 6289.6176 301.8886 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: 7318.3, 0.00391232/step Wall: 7318.3, 0.00391232/step, 0.736604 hours remaining, 115.046875 MB of memory in use. ENERGY: 1822200 654.9850 1871.8672 1955.0653 112.6318 1.1466 -1130.8531 0.0000 0.0000 2796.4573 6261.3001 308.8765 3464.8429 6296.0201 304.2311 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: 7319.08, 0.00390594/step Wall: 7319.08, 0.00390594/step, 0.735186 hours remaining, 115.046875 MB of memory in use. ENERGY: 1822400 654.2841 1864.8051 1945.8244 106.2945 0.6777 -1076.5793 0.0000 0.0000 2806.7531 6302.0595 310.0137 3495.3064 6337.2977 305.0144 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: 7319.86, 0.00390253/step Wall: 7319.86, 0.00390253/step, 0.734326 hours remaining, 115.046875 MB of memory in use. ENERGY: 1822600 648.1704 1866.6153 1963.4050 95.7307 0.0284 -1107.6959 0.0000 0.0000 2766.7468 6233.0006 305.5949 3466.2538 6270.1772 304.5265 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: 7320.64, 0.0039059/step Wall: 7320.64, 0.0039059/step, 0.734743 hours remaining, 115.046875 MB of memory in use. ENERGY: 1822800 628.5159 1860.0450 1956.5480 113.4340 1.2329 -1091.4151 0.0000 0.0000 2792.3498 6260.7106 308.4228 3468.3607 6294.7858 304.2495 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: 7321.42, 0.00390627/step Wall: 7321.42, 0.00390627/step, 0.734596 hours remaining, 115.046875 MB of memory in use. ENERGY: 1823000 656.6772 1864.7222 1985.7729 118.8653 -0.9096 -1117.4728 0.0000 0.0000 2757.1186 6264.7737 304.5314 3507.6551 6298.9960 304.9340 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: 7322.2, 0.00390563/step Wall: 7322.2, 0.00390563/step, 0.734258 hours remaining, 115.046875 MB of memory in use. ENERGY: 1823200 686.3436 1838.4471 1956.7803 105.5523 0.1399 -1105.5351 0.0000 0.0000 2808.4001 6290.1281 310.1956 3481.7280 6326.5514 306.3577 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: 7322.98, 0.00390677/step Wall: 7322.98, 0.00390677/step, 0.734257 hours remaining, 115.046875 MB of memory in use. ENERGY: 1823400 644.5905 1892.0542 1961.0058 110.3985 0.0952 -1119.4907 0.0000 0.0000 2778.7336 6267.3872 306.9189 3488.6536 6302.3815 305.5430 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: 7323.77, 0.0039034/step Wall: 7323.77, 0.0039034/step, 0.733405 hours remaining, 115.046875 MB of memory in use. ENERGY: 1823600 633.4389 1878.8706 1946.4396 122.0095 2.6366 -1085.3601 0.0000 0.0000 2762.2491 6260.2842 305.0981 3498.0351 6292.0417 304.5027 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: 7324.55, 0.00390594/step Wall: 7324.55, 0.00390594/step, 0.733665 hours remaining, 115.046875 MB of memory in use. ENERGY: 1823800 614.0656 1856.7130 1937.6442 113.0312 1.0198 -1074.3098 0.0000 0.0000 2747.4586 6195.6227 303.4645 3448.1640 6230.5962 302.9269 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: 7325.33, 0.00390645/step Wall: 7325.33, 0.00390645/step, 0.733544 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1824000 643.7388 1822.3843 1964.9296 111.7637 2.1400 -1075.4982 0.0000 0.0000 2714.9979 6184.4561 299.8791 3469.4582 6216.4110 299.1658 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: 7326.11, 0.00390542/step Wall: 7326.11, 0.00390542/step, 0.733134 hours remaining, 115.046875 MB of memory in use. ENERGY: 1824200 679.0649 1802.6834 1960.9653 117.5620 1.0600 -1108.1377 0.0000 0.0000 2746.9736 6200.1715 303.4109 3453.1980 6230.6641 299.5836 LDB: ============= START OF LOAD BALANCING ============== 7328.81 LDB: ============== END OF LOAD BALANCING =============== 7328.81 LDB: =============== DONE WITH MIGRATION ================ 7328.81 LDB: ============= START OF LOAD BALANCING ============== 7329.2 LDB: ============== END OF LOAD BALANCING =============== 7329.2 LDB: =============== DONE WITH MIGRATION ================ 7329.2 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: 7326.89, 0.00390668/step Wall: 7326.89, 0.00390668/step, 0.733153 hours remaining, 115.046875 MB of memory in use. ENERGY: 1824400 616.5627 1828.1525 1997.7966 109.5959 2.7805 -1067.7184 0.0000 0.0000 2734.5704 6221.7403 302.0409 3487.1698 6253.6557 302.1097 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: 7327.67, 0.00390731/step Wall: 7327.67, 0.00390731/step, 0.733054 hours remaining, 115.046875 MB of memory in use. ENERGY: 1824600 655.1510 1858.0359 1953.3794 109.4808 2.1805 -1126.5500 0.0000 0.0000 2745.4193 6197.0968 303.2392 3451.6775 6229.9186 300.5183 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: 7328.45, 0.00390999/step Wall: 7328.45, 0.00390999/step, 0.733341 hours remaining, 115.046875 MB of memory in use. ENERGY: 1824800 671.4122 1921.2324 1976.0779 112.8427 1.4968 -1096.7691 0.0000 0.0000 2658.1423 6244.4353 293.5992 3586.2930 6274.8220 300.4581 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: 7329.24, 0.00392477/step Wall: 7329.24, 0.00392477/step, 0.735894 hours remaining, 115.046875 MB of memory in use. ENERGY: 1825000 673.5834 1902.4809 1966.1583 107.3959 1.3698 -1090.1014 0.0000 0.0000 2711.2667 6272.1537 299.4670 3560.8869 6306.1303 303.3171 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: 7330.02, 0.00391408/step Wall: 7330.02, 0.00391408/step, 0.733673 hours remaining, 115.046875 MB of memory in use. ENERGY: 1825200 630.2577 1822.2352 1997.7960 116.0417 2.0122 -1081.2545 0.0000 0.0000 2716.9636 6204.0520 300.0962 3487.0884 6237.6840 302.1088 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: 7330.8, 0.00390763/step Wall: 7330.8, 0.00390763/step, 0.732246 hours remaining, 115.046875 MB of memory in use. ENERGY: 1825400 684.2731 1817.0358 1976.9633 116.6906 0.6148 -1094.7384 0.0000 0.0000 2756.7216 6257.5608 304.4876 3500.8392 6290.4796 302.3034 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: 7331.58, 0.00391009/step Wall: 7331.58, 0.00391009/step, 0.732491 hours remaining, 115.046875 MB of memory in use. ENERGY: 1825600 678.7426 1888.1149 1969.9393 103.5162 0.9373 -1098.5834 0.0000 0.0000 2697.6270 6240.2939 297.9604 3542.6668 6269.7022 302.8966 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: 7332.37, 0.0039082/step Wall: 7332.37, 0.0039082/step, 0.731918 hours remaining, 115.046875 MB of memory in use. ENERGY: 1825800 644.6989 1866.6082 1978.1600 104.1624 2.3311 -1088.4892 0.0000 0.0000 2694.1525 6201.6239 297.5766 3507.4714 6233.1829 301.5375 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: 7333.15, 0.0039085/step Wall: 7333.15, 0.0039085/step, 0.731759 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1826000 687.8395 1846.7232 1956.1689 95.8880 -0.0288 -1130.4194 0.0000 0.0000 2732.9592 6189.1304 301.8630 3456.1713 6222.6342 300.7180 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: 7333.93, 0.00390493/step Wall: 7333.93, 0.00390493/step, 0.730873 hours remaining, 115.046875 MB of memory in use. ENERGY: 1826200 656.5939 1836.6416 1957.3202 112.2548 -0.2665 -1107.0602 0.0000 0.0000 2743.3908 6198.8746 303.0152 3455.4838 6233.8470 299.7475 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: 7334.71, 0.00390529/step Wall: 7334.71, 0.00390529/step, 0.730722 hours remaining, 115.046875 MB of memory in use. ENERGY: 1826400 707.3158 1833.2851 1967.0343 98.2733 2.1797 -1132.1065 0.0000 0.0000 2733.3310 6209.3126 301.9040 3475.9816 6242.1599 301.3890 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: 7335.49, 0.00390829/step Wall: 7335.49, 0.00390829/step, 0.731067 hours remaining, 115.046875 MB of memory in use. ENERGY: 1826600 628.7155 1870.3584 1968.9560 111.2602 0.6643 -1102.9890 0.0000 0.0000 2733.0310 6209.9964 301.8709 3476.9654 6243.4131 301.7554 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: 7336.27, 0.00390737/step Wall: 7336.27, 0.00390737/step, 0.730678 hours remaining, 115.046875 MB of memory in use. ENERGY: 1826800 627.0333 1822.8728 1971.4634 108.8234 1.9412 -1096.3804 0.0000 0.0000 2723.5536 6159.3073 300.8241 3435.7537 6194.4414 298.6688 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: 7337.05, 0.00390818/step Wall: 7337.05, 0.00390818/step, 0.730612 hours remaining, 115.046875 MB of memory in use. ENERGY: 1827000 675.5692 1873.0339 1932.9611 111.6389 2.3430 -1128.6522 0.0000 0.0000 2653.3319 6120.2258 293.0679 3466.8939 6153.9057 297.5673 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: 7337.84, 0.0039039/step Wall: 7337.84, 0.0039039/step, 0.729595 hours remaining, 115.046875 MB of memory in use. ENERGY: 1827200 661.4321 1834.5785 1950.1326 102.9805 1.3567 -1124.2310 0.0000 0.0000 2677.8651 6104.1146 295.7777 3426.2494 6135.5465 297.3500 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: 7338.62, 0.00390784/step Wall: 7338.62, 0.00390784/step, 0.730115 hours remaining, 115.046875 MB of memory in use. ENERGY: 1827400 624.0898 1826.4344 1931.7233 115.1618 2.1022 -1080.5302 0.0000 0.0000 2738.3002 6157.2815 302.4529 3418.9813 6192.6316 297.7119 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: 7339.4, 0.00390774/step Wall: 7339.4, 0.00390774/step, 0.729879 hours remaining, 115.046875 MB of memory in use. ENERGY: 1827600 680.7595 1816.6867 1951.2085 112.7416 2.2925 -1113.1384 0.0000 0.0000 2693.7563 6144.3068 297.5329 3450.5505 6176.7181 296.5523 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: 7340.18, 0.00390691/step Wall: 7340.18, 0.00390691/step, 0.729506 hours remaining, 115.046875 MB of memory in use. ENERGY: 1827800 643.1831 1888.3881 1976.6351 107.4535 1.5914 -1117.9016 0.0000 0.0000 2698.8807 6198.2304 298.0989 3499.3497 6229.5702 299.2786 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: 7340.96, 0.0039071/step Wall: 7340.96, 0.0039071/step, 0.729324 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1828000 642.8553 1895.7703 1973.4610 94.1198 2.7754 -1109.5352 0.0000 0.0000 2692.8898 6192.3363 297.4372 3499.4465 6226.1907 300.3816 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: 7341.74, 0.00390181/step Wall: 7341.74, 0.00390181/step, 0.728122 hours remaining, 115.046875 MB of memory in use. ENERGY: 1828200 662.4438 1810.1553 1994.4705 109.7584 3.0242 -1114.5759 0.0000 0.0000 2750.0960 6215.3722 303.7558 3465.2762 6249.4736 300.7878 LDB: ============= START OF LOAD BALANCING ============== 7344.44 LDB: ============== END OF LOAD BALANCING =============== 7344.44 LDB: =============== DONE WITH MIGRATION ================ 7344.44 LDB: ============= START OF LOAD BALANCING ============== 7344.83 LDB: ============== END OF LOAD BALANCING =============== 7344.83 LDB: =============== DONE WITH MIGRATION ================ 7344.83 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: 7342.52, 0.00391281/step Wall: 7342.52, 0.00391281/step, 0.729956 hours remaining, 115.046875 MB of memory in use. ENERGY: 1828400 676.5459 1870.7495 1957.2382 106.1046 2.7895 -1125.8164 0.0000 0.0000 2704.8938 6192.5051 298.7631 3487.6112 6227.5504 300.3233 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: 7343.31, 0.0039072/step Wall: 7343.31, 0.0039072/step, 0.728692 hours remaining, 115.046875 MB of memory in use. ENERGY: 1828600 706.1191 1820.7734 1973.0845 95.4427 3.0211 -1093.4690 0.0000 0.0000 2697.4122 6202.3841 297.9367 3504.9719 6233.5716 300.5018 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: 7344.09, 0.00390761/step Wall: 7344.09, 0.00390761/step, 0.728553 hours remaining, 115.046875 MB of memory in use. ENERGY: 1828800 680.3689 1825.0697 1968.4960 104.1888 0.9694 -1111.4472 0.0000 0.0000 2730.4197 6198.0652 301.5825 3467.6455 6231.9559 300.4859 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: 7344.87, 0.00390398/step Wall: 7344.87, 0.00390398/step, 0.727658 hours remaining, 115.046875 MB of memory in use. ENERGY: 1829000 642.9073 1891.7087 1995.8162 97.6046 2.2942 -1122.8367 0.0000 0.0000 2687.0669 6194.5611 296.7940 3507.4942 6225.3144 300.6959 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: 7345.65, 0.00390708/step Wall: 7345.65, 0.00390708/step, 0.728019 hours remaining, 115.046875 MB of memory in use. ENERGY: 1829200 630.3036 1816.6299 1964.2596 102.0495 3.1497 -1078.5864 0.0000 0.0000 2769.2441 6207.0500 305.8707 3437.8059 6242.2182 301.4782 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: 7346.43, 0.00390756/step Wall: 7346.43, 0.00390756/step, 0.727892 hours remaining, 115.046875 MB of memory in use. ENERGY: 1829400 663.3214 1859.1257 1959.2248 103.4781 2.1182 -1105.5402 0.0000 0.0000 2748.3738 6230.1017 303.5655 3481.7279 6263.8564 301.2032 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: 7347.21, 0.00390548/step Wall: 7347.21, 0.00390548/step, 0.727286 hours remaining, 115.046875 MB of memory in use. ENERGY: 1829600 689.1526 1808.5134 1969.9283 112.7876 1.1400 -1113.8189 0.0000 0.0000 2784.1207 6251.8237 307.5139 3467.7031 6284.1117 302.5937 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: 7347.99, 0.00390674/step Wall: 7347.99, 0.00390674/step, 0.727305 hours remaining, 115.046875 MB of memory in use. ENERGY: 1829800 645.3311 1812.0361 1972.1948 97.9259 1.2287 -1070.3863 0.0000 0.0000 2813.0444 6271.3747 310.7086 3458.3303 6309.4964 303.7662 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: 7348.77, 0.00390322/step Wall: 7348.77, 0.00390322/step, 0.726433 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1830000 643.5385 1897.5772 1964.8320 110.2734 0.1838 -1069.2274 0.0000 0.0000 2692.2234 6239.4008 297.3636 3547.1774 6268.4714 303.7950 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1830000 WRITING COORDINATES TO DCD FILE MD.1.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: 7349.6, 0.00413043/step Wall: 7349.6, 0.00413043/step, 0.768489 hours remaining, 115.046875 MB of memory in use. ENERGY: 1830200 730.6034 1873.3830 1909.2347 111.3558 -0.3339 -1075.3205 0.0000 0.0000 2699.7382 6248.6607 298.1936 3548.9225 6283.5906 302.6285 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: 7350.38, 0.00390679/step Wall: 7350.38, 0.00390678/step, 0.726661 hours remaining, 115.046875 MB of memory in use. ENERGY: 1830400 649.0070 1845.4337 1954.3012 107.1020 0.1392 -1076.2722 0.0000 0.0000 2780.5723 6260.2831 307.1220 3479.7109 6296.3545 303.3013 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: 7351.16, 0.0039065/step Wall: 7351.16, 0.00390651/step, 0.726394 hours remaining, 115.046875 MB of memory in use. ENERGY: 1830600 678.9397 1867.1893 1984.2154 111.2324 1.2373 -1105.2890 0.0000 0.0000 2774.6152 6312.1402 306.4640 3537.5250 6347.4263 306.6507 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: 7351.94, 0.00390067/step Wall: 7351.94, 0.00390067/step, 0.72509 hours remaining, 115.046875 MB of memory in use. ENERGY: 1830800 635.2168 1878.4129 1959.1356 114.2223 1.9767 -1050.3503 0.0000 0.0000 2795.7317 6334.3458 308.7964 3538.6141 6367.0003 307.1335 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: 7352.72, 0.00390542/step Wall: 7352.72, 0.00390541/step, 0.725756 hours remaining, 115.046875 MB of memory in use. ENERGY: 1831000 686.3967 1888.8840 1976.5222 119.9467 1.4857 -1101.4219 0.0000 0.0000 2750.7190 6322.5324 303.8246 3571.8134 6356.5394 307.1422 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: 7353.51, 0.00390602/step Wall: 7353.51, 0.00390603/step, 0.725653 hours remaining, 115.046875 MB of memory in use. ENERGY: 1831200 651.4764 1836.2322 1976.8925 102.1462 1.7487 -1070.3077 0.0000 0.0000 2809.7630 6307.9513 310.3462 3498.1882 6344.0981 305.1674 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: 7354.29, 0.00390492/step Wall: 7354.29, 0.00390492/step, 0.725231 hours remaining, 115.046875 MB of memory in use. ENERGY: 1831400 664.3436 1842.8781 1956.8343 94.8472 0.8625 -1064.6184 0.0000 0.0000 2808.3558 6303.5030 310.1907 3495.1473 6338.5738 305.6833 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: 7355.07, 0.00390495/step Wall: 7355.07, 0.00390495/step, 0.72502 hours remaining, 115.046875 MB of memory in use. ENERGY: 1831600 635.7345 1860.5722 1935.0711 104.5782 0.2402 -1075.0086 0.0000 0.0000 2763.0765 6224.2641 305.1895 3461.1876 6258.7771 303.7902 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: 7355.85, 0.00390054/step Wall: 7355.85, 0.00390054/step, 0.723983 hours remaining, 115.046875 MB of memory in use. ENERGY: 1831800 676.6852 1876.0633 1996.7249 106.2647 0.5029 -1130.8375 0.0000 0.0000 2708.8170 6234.2204 299.1964 3525.4034 6269.5673 302.5717 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: 7356.63, 0.00390606/step Wall: 7356.63, 0.00390606/step, 0.724791 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1832000 636.0184 1872.2883 1963.4601 101.8171 1.8011 -1095.1612 0.0000 0.0000 2752.2389 6232.4627 303.9925 3480.2237 6262.9421 301.6790 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: 7357.41, 0.00390625/step Wall: 7357.41, 0.00390625/step, 0.724609 hours remaining, 115.046875 MB of memory in use. ENERGY: 1832200 683.1978 1852.3175 1963.3405 114.4885 1.1031 -1087.9329 0.0000 0.0000 2734.3947 6260.9092 302.0215 3526.5145 6293.1948 304.3209 LDB: ============= START OF LOAD BALANCING ============== 7360.11 LDB: ============== END OF LOAD BALANCING =============== 7360.11 LDB: =============== DONE WITH MIGRATION ================ 7360.11 LDB: ============= START OF LOAD BALANCING ============== 7360.5 LDB: ============== END OF LOAD BALANCING =============== 7360.5 LDB: =============== DONE WITH MIGRATION ================ 7360.5 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: 7358.2, 0.00392505/step Wall: 7358.2, 0.00392505/step, 0.727879 hours remaining, 115.046875 MB of memory in use. ENERGY: 1832400 657.3972 1840.0815 1920.3380 107.1813 0.2649 -1084.8267 0.0000 0.0000 2735.4456 6175.8819 302.1376 3440.4363 6206.5231 299.9936 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: 7358.98, 0.0039039/step Wall: 7358.98, 0.0039039/step, 0.72374 hours remaining, 115.046875 MB of memory in use. ENERGY: 1832600 654.1398 1824.5239 1983.9881 122.2066 1.4778 -1084.1499 0.0000 0.0000 2734.0091 6236.1954 301.9789 3502.1863 6267.0594 300.0468 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: 7359.76, 0.00390772/step Wall: 7359.76, 0.00390772/step, 0.724231 hours remaining, 115.046875 MB of memory in use. ENERGY: 1832800 680.0447 1845.9977 1974.4491 114.7215 1.6621 -1117.7205 0.0000 0.0000 2729.1741 6228.3287 301.4449 3499.1546 6259.3846 303.4398 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: 7360.54, 0.00391045/step Wall: 7360.54, 0.00391045/step, 0.724519 hours remaining, 115.046875 MB of memory in use. ENERGY: 1833000 657.0141 1918.7053 1949.9654 105.7821 2.8743 -1084.9125 0.0000 0.0000 2679.6655 6229.0943 295.9765 3549.4288 6261.2234 303.0670 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: 7361.32, 0.00390882/step Wall: 7361.32, 0.00390882/step, 0.723999 hours remaining, 115.046875 MB of memory in use. ENERGY: 1833200 661.8306 1810.6279 1944.8247 128.1949 1.9744 -1063.0325 0.0000 0.0000 2714.8071 6199.2270 299.8580 3484.4200 6230.6957 301.1082 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: 7362.1, 0.0039071/step Wall: 7362.1, 0.0039071/step, 0.723464 hours remaining, 115.046875 MB of memory in use. ENERGY: 1833400 649.2249 1868.6899 1958.4887 126.0441 1.6048 -1066.2201 0.0000 0.0000 2653.2533 6191.0856 293.0592 3537.8323 6220.4253 299.0754 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: 7362.88, 0.00390223/step Wall: 7362.88, 0.00390223/step, 0.722346 hours remaining, 115.046875 MB of memory in use. ENERGY: 1833600 671.3185 1860.9655 1957.6767 100.2313 0.8933 -1064.8118 0.0000 0.0000 2639.1008 6165.3742 291.4960 3526.2735 6195.8806 299.9735 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: 7363.66, 0.00390662/step Wall: 7363.66, 0.00390662/step, 0.722942 hours remaining, 115.046875 MB of memory in use. ENERGY: 1833800 634.8233 1835.5240 1949.0574 104.3434 2.2403 -1098.6927 0.0000 0.0000 2734.8430 6162.1388 302.0710 3427.2958 6194.6744 297.0983 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: 7364.45, 0.00390808/step Wall: 7364.45, 0.00390808/step, 0.722994 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1834000 657.0092 1816.6518 1974.7034 114.5272 1.6840 -1075.6363 0.0000 0.0000 2681.4377 6170.3770 296.1723 3488.9394 6204.2611 298.6081 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: 7365.23, 0.00390709/step Wall: 7365.23, 0.00390709/step, 0.722595 hours remaining, 115.046875 MB of memory in use. ENERGY: 1834200 633.8844 1893.8332 1944.4997 94.8258 3.9329 -1086.0615 0.0000 0.0000 2725.5736 6210.4881 301.0472 3484.9145 6242.1931 299.3790 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: 7366.01, 0.00390757/step Wall: 7366.01, 0.00390757/step, 0.722466 hours remaining, 115.046875 MB of memory in use. ENERGY: 1834400 631.9646 1865.0618 1955.7323 107.9220 1.7271 -1089.8000 0.0000 0.0000 2714.3075 6186.9152 299.8028 3472.6077 6219.5598 298.8050 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: 7366.79, 0.00390326/step Wall: 7366.79, 0.00390326/step, 0.721453 hours remaining, 115.046875 MB of memory in use. ENERGY: 1834600 680.3408 1816.9168 1944.2509 94.7587 2.4971 -1097.4517 0.0000 0.0000 2737.0970 6178.4096 302.3200 3441.3126 6210.4567 298.3807 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: 7367.57, 0.00391006/step Wall: 7367.57, 0.00391006/step, 0.722493 hours remaining, 115.046875 MB of memory in use. ENERGY: 1834800 681.7497 1861.2326 1965.4625 99.7933 1.0135 -1095.6493 0.0000 0.0000 2673.3853 6186.9877 295.2829 3513.6024 6218.4431 297.6205 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: 7368.35, 0.00391156/step Wall: 7368.35, 0.00391156/step, 0.722552 hours remaining, 115.046875 MB of memory in use. ENERGY: 1835000 667.9359 1854.8551 1931.2075 105.3603 1.6593 -1099.5322 0.0000 0.0000 2695.4071 6156.8931 297.7152 3461.4859 6189.0803 297.5417 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: 7369.14, 0.00390967/step Wall: 7369.14, 0.00390967/step, 0.721987 hours remaining, 115.046875 MB of memory in use. ENERGY: 1835200 667.9103 1857.3925 1973.8511 105.9977 1.5437 -1117.0960 0.0000 0.0000 2703.5257 6193.1250 298.6119 3489.5993 6227.6138 299.0565 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: 7369.92, 0.00390504/step Wall: 7369.92, 0.00390504/step, 0.720913 hours remaining, 115.046875 MB of memory in use. ENERGY: 1835400 669.5907 1842.8321 1952.6388 109.2981 2.1725 -1148.9220 0.0000 0.0000 2686.9447 6114.5550 296.7805 3427.6103 6146.6485 297.9899 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: 7370.7, 0.00390864/step Wall: 7370.7, 0.00390864/step, 0.72136 hours remaining, 115.046875 MB of memory in use. ENERGY: 1835600 643.8226 1875.9179 1942.6490 91.9188 1.3436 -1102.4021 0.0000 0.0000 2692.5814 6145.8312 297.4031 3453.2498 6178.6591 297.7529 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: 7371.48, 0.00390778/step Wall: 7371.48, 0.00390778/step, 0.720985 hours remaining, 115.046875 MB of memory in use. ENERGY: 1835800 638.8186 1867.0074 1952.8422 97.9358 1.4018 -1070.1853 0.0000 0.0000 2681.4424 6169.2628 296.1728 3487.8204 6202.7212 298.2346 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: 7372.26, 0.00390725/step Wall: 7372.26, 0.00390725/step, 0.720671 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1836000 672.9165 1850.8775 1933.6783 107.2136 2.5917 -1109.7895 0.0000 0.0000 2683.9676 6141.4558 296.4517 3457.4882 6172.6283 298.1060 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: 7373.04, 0.00390876/step Wall: 7373.04, 0.00390876/step, 0.720732 hours remaining, 115.046875 MB of memory in use. ENERGY: 1836200 651.4544 1785.3449 1957.5814 113.1386 2.2877 -1084.1610 0.0000 0.0000 2733.3194 6158.9654 301.9027 3425.6460 6192.1493 298.4875 LDB: ============= START OF LOAD BALANCING ============== 7375.74 LDB: ============== END OF LOAD BALANCING =============== 7375.74 LDB: =============== DONE WITH MIGRATION ================ 7375.74 LDB: ============= START OF LOAD BALANCING ============== 7376.13 LDB: ============== END OF LOAD BALANCING =============== 7376.13 LDB: =============== DONE WITH MIGRATION ================ 7376.13 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: 7373.82, 0.0039068/step Wall: 7373.82, 0.0039068/step, 0.720153 hours remaining, 115.046875 MB of memory in use. ENERGY: 1836400 699.9244 1870.8139 1921.6257 99.8896 1.6540 -1123.7135 0.0000 0.0000 2654.2700 6124.4642 293.1715 3470.1942 6156.9834 299.2711 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: 7374.61, 0.00390822/step Wall: 7374.61, 0.00390822/step, 0.720197 hours remaining, 115.046875 MB of memory in use. ENERGY: 1836600 637.5630 1830.7239 1955.3083 111.0935 1.5017 -1124.0054 0.0000 0.0000 2731.2373 6143.4224 301.6728 3412.1851 6177.4433 296.0612 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: 7375.39, 0.00390969/step Wall: 7375.39, 0.00390969/step, 0.720252 hours remaining, 115.046875 MB of memory in use. ENERGY: 1836800 656.5254 1866.8413 1960.2259 107.7995 1.4027 -1129.1023 0.0000 0.0000 2678.6493 6142.3417 295.8643 3463.6925 6174.6811 298.0507 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: 7376.17, 0.00390711/step Wall: 7376.17, 0.00390711/step, 0.71956 hours remaining, 115.046875 MB of memory in use. ENERGY: 1837000 645.3596 1809.8171 1961.8007 111.8062 0.2270 -1092.6590 0.0000 0.0000 2735.0235 6171.3751 302.0910 3436.3516 6205.9998 297.5408 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: 7376.95, 0.00390468/step Wall: 7376.95, 0.00390468/step, 0.718895 hours remaining, 115.046875 MB of memory in use. ENERGY: 1837200 658.4035 1876.6033 1964.2800 119.9628 1.9130 -1110.4063 0.0000 0.0000 2694.4455 6205.2017 297.6090 3510.7563 6236.8975 300.0416 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: 7377.73, 0.00390893/step Wall: 7377.73, 0.00390893/step, 0.719461 hours remaining, 115.046875 MB of memory in use. ENERGY: 1837400 656.7382 1818.7340 1946.5723 111.6834 1.1460 -1080.6587 0.0000 0.0000 2690.6507 6144.8659 297.1899 3454.2153 6176.6440 299.3326 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: 7378.51, 0.00390968/step Wall: 7378.51, 0.00390968/step, 0.719381 hours remaining, 115.046875 MB of memory in use. ENERGY: 1837600 662.9329 1785.2879 1966.2666 126.0391 0.6366 -1097.9520 0.0000 0.0000 2679.2075 6122.4186 295.9259 3443.2112 6154.7871 297.5126 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: 7379.3, 0.00390853/step Wall: 7379.3, 0.00390853/step, 0.718952 hours remaining, 115.046875 MB of memory in use. ENERGY: 1837800 685.7496 1874.0071 1939.7196 109.2510 0.9993 -1107.5122 0.0000 0.0000 2656.4876 6158.7021 293.4165 3502.2145 6189.8757 296.7062 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: 7380.08, 0.00390911/step Wall: 7380.08, 0.00390911/step, 0.718842 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1838000 668.7170 1876.7258 1939.2722 110.8893 1.5134 -1105.0077 0.0000 0.0000 2664.8334 6156.9434 294.3383 3492.1100 6190.3812 298.8490 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: 7380.86, 0.00390565/step Wall: 7380.86, 0.00390565/step, 0.717989 hours remaining, 115.046875 MB of memory in use. ENERGY: 1838200 671.3976 1807.9261 1956.6632 99.0096 0.6947 -1073.4644 0.0000 0.0000 2705.3735 6167.6003 298.8160 3462.2268 6199.4996 298.6291 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: 7381.64, 0.00390872/step Wall: 7381.64, 0.00390872/step, 0.718337 hours remaining, 115.046875 MB of memory in use. ENERGY: 1838400 652.0392 1870.4626 1947.9062 112.9573 1.7841 -1069.8845 0.0000 0.0000 2674.9833 6190.2481 295.4594 3515.2648 6224.4102 299.1312 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: 7382.42, 0.00391029/step Wall: 7382.42, 0.00391029/step, 0.718406 hours remaining, 115.046875 MB of memory in use. ENERGY: 1838600 633.6492 1860.9597 1974.7281 101.9905 2.4979 -1067.8308 0.0000 0.0000 2731.3879 6237.3824 301.6894 3505.9945 6270.9131 303.7518 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: 7383.21, 0.00391186/step Wall: 7383.21, 0.00391186/step, 0.718479 hours remaining, 115.046875 MB of memory in use. ENERGY: 1838800 667.8896 1850.8978 1972.1365 97.8648 0.8523 -1059.7987 0.0000 0.0000 2635.6022 6165.4444 291.1096 3529.8422 6197.5450 297.9613 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: 7383.99, 0.00390598/step Wall: 7383.99, 0.00390598/step, 0.717181 hours remaining, 115.046875 MB of memory in use. ENERGY: 1839000 657.0239 1835.9646 1956.9245 114.5682 1.9711 -1108.4715 0.0000 0.0000 2713.0719 6171.0527 299.6663 3457.9808 6198.8204 297.7774 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: 7384.77, 0.00391037/step Wall: 7384.77, 0.00391037/step, 0.71777 hours remaining, 115.046875 MB of memory in use. ENERGY: 1839200 660.1723 1772.8976 1996.7029 103.1965 1.7002 -1091.1171 0.0000 0.0000 2712.2145 6155.7669 299.5716 3443.5524 6188.3911 299.3117 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: 7385.55, 0.0039107/step Wall: 7385.55, 0.0039107/step, 0.717613 hours remaining, 115.046875 MB of memory in use. ENERGY: 1839400 631.5618 1815.0539 1957.6838 119.9368 2.4283 -1084.5996 0.0000 0.0000 2693.0065 6135.0714 297.4501 3442.0649 6168.7385 298.0280 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: 7386.33, 0.0039093/step Wall: 7386.33, 0.0039093/step, 0.717139 hours remaining, 115.046875 MB of memory in use. ENERGY: 1839600 630.5832 1820.2092 2012.8026 103.4558 2.7751 -1111.2754 0.0000 0.0000 2690.4613 6149.0117 297.1689 3458.5504 6180.0586 297.4448 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: 7387.11, 0.00391034/step Wall: 7387.11, 0.00391034/step, 0.717112 hours remaining, 115.046875 MB of memory in use. ENERGY: 1839800 672.3671 1881.7647 2000.9074 97.7715 1.3148 -1120.8048 0.0000 0.0000 2711.4655 6244.7862 299.4889 3533.3207 6276.9138 300.2407 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: 7387.9, 0.00390738/step Wall: 7387.9, 0.00390738/step, 0.716352 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1840000 646.7361 1879.3660 1959.7282 110.4367 1.0566 -1082.1401 0.0000 0.0000 2724.6966 6239.8802 300.9503 3515.1835 6273.2208 300.4826 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1840000 WRITING COORDINATES TO DCD FILE MD.1.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: 7388.75, 0.00424995/step Wall: 7388.75, 0.00424995/step, 0.778921 hours remaining, 115.046875 MB of memory in use. ENERGY: 1840200 664.1216 1853.4575 1985.4677 102.0277 1.6262 -1109.5588 0.0000 0.0000 2715.8374 6212.9795 299.9718 3497.1420 6243.0934 301.0088 LDB: ============= START OF LOAD BALANCING ============== 7391.45 LDB: ============== END OF LOAD BALANCING =============== 7391.45 LDB: =============== DONE WITH MIGRATION ================ 7391.45 LDB: ============= START OF LOAD BALANCING ============== 7391.84 LDB: ============== END OF LOAD BALANCING =============== 7391.84 LDB: =============== DONE WITH MIGRATION ================ 7391.84 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: 7389.53, 0.00392623/step Wall: 7389.53, 0.00392623/step, 0.719372 hours remaining, 115.046875 MB of memory in use. ENERGY: 1840400 672.0276 1822.8067 1974.7876 115.0909 1.0443 -1080.8628 0.0000 0.0000 2698.3174 6203.2117 298.0367 3504.8943 6237.7738 300.7710 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: 7390.31, 0.00391653/step Wall: 7390.31, 0.00391653/step, 0.717377 hours remaining, 115.046875 MB of memory in use. ENERGY: 1840600 654.9446 1865.2190 1960.4975 103.9300 2.0569 -1114.1994 0.0000 0.0000 2697.8515 6170.3001 297.9852 3472.4486 6202.9609 300.7103 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: 7391.1, 0.00391298/step Wall: 7391.1, 0.00391298/step, 0.716511 hours remaining, 115.046875 MB of memory in use. ENERGY: 1840800 655.6177 1810.4522 2002.1637 95.2049 2.2515 -1101.8879 0.0000 0.0000 2724.8253 6188.6273 300.9645 3463.8020 6222.4669 300.4283 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: 7391.88, 0.00390554/step Wall: 7391.88, 0.00390554/step, 0.71493 hours remaining, 115.046875 MB of memory in use. ENERGY: 1841000 718.7299 1835.1258 1985.5787 105.6500 1.7756 -1125.2835 0.0000 0.0000 2713.5958 6235.1724 299.7242 3521.5765 6265.3162 299.0525 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: 7392.66, 0.00390984/step Wall: 7392.66, 0.00390984/step, 0.715501 hours remaining, 115.046875 MB of memory in use. ENERGY: 1841200 652.3090 1828.9911 1974.6897 111.0890 1.9350 -1105.3019 0.0000 0.0000 2692.8520 6156.5639 297.4330 3463.7119 6188.3915 300.7721 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: 7393.44, 0.00391167/step Wall: 7393.44, 0.00391167/step, 0.715618 hours remaining, 115.046875 MB of memory in use. ENERGY: 1841400 679.8894 1852.7665 1997.6876 112.3592 1.4960 -1130.2206 0.0000 0.0000 2633.9790 6147.9571 290.9303 3513.9782 6181.8299 297.6541 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: 7394.22, 0.00390877/step Wall: 7394.22, 0.00390877/step, 0.714871 hours remaining, 115.046875 MB of memory in use. ENERGY: 1841600 640.8870 1881.7584 1962.0803 111.7981 3.5765 -1127.3722 0.0000 0.0000 2651.6235 6124.3517 292.8792 3472.7282 6155.5332 298.5146 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: 7395.01, 0.00390635/step Wall: 7395.01, 0.00390635/step, 0.714211 hours remaining, 115.046875 MB of memory in use. ENERGY: 1841800 616.7472 1814.3767 1960.7974 101.9334 2.6077 -1112.9105 0.0000 0.0000 2681.0213 6064.5732 296.1263 3383.5519 6099.6936 294.7268 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: 7395.79, 0.00390928/step Wall: 7395.79, 0.00390928/step, 0.71453 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1842000 636.9974 1839.1979 1928.8622 109.0856 2.4418 -1116.6656 0.0000 0.0000 2717.7727 6117.6920 300.1856 3399.9193 6150.2066 296.7913 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: 7396.57, 0.00390805/step Wall: 7396.57, 0.00390805/step, 0.714088 hours remaining, 115.046875 MB of memory in use. ENERGY: 1842200 651.9976 1819.9507 1967.9335 93.6835 2.1133 -1118.8824 0.0000 0.0000 2722.3752 6139.1714 300.6939 3416.7962 6171.6274 296.7599 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: 7397.35, 0.00390928/step Wall: 7397.35, 0.00390928/step, 0.714094 hours remaining, 115.046875 MB of memory in use. ENERGY: 1842400 650.7352 1864.5972 1957.8196 105.0240 1.6111 -1143.2356 0.0000 0.0000 2729.0546 6165.6061 301.4317 3436.5515 6202.2439 299.9956 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: 7398.13, 0.00391814/step Wall: 7398.13, 0.00391814/step, 0.715497 hours remaining, 115.046875 MB of memory in use. ENERGY: 1842600 657.7254 1877.8593 1935.4158 111.8211 1.5212 -1104.9555 0.0000 0.0000 2650.7063 6130.0938 292.7779 3479.3874 6162.5262 296.5718 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: 7398.92, 0.00390476/step Wall: 7398.92, 0.00390476/step, 0.712835 hours remaining, 115.046875 MB of memory in use. ENERGY: 1842800 684.0557 1841.2925 1983.7096 115.9792 2.3786 -1133.0536 0.0000 0.0000 2663.9225 6158.2846 294.2377 3494.3621 6189.7514 296.0795 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: 7399.7, 0.00390708/step Wall: 7399.7, 0.00390708/step, 0.713043 hours remaining, 115.046875 MB of memory in use. ENERGY: 1843000 660.0986 1819.1729 2015.2329 103.0715 2.0277 -1094.9737 0.0000 0.0000 2699.6604 6204.2902 298.1850 3504.6298 6236.4338 299.9004 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: 7400.48, 0.00390622/step Wall: 7400.48, 0.00390622/step, 0.712667 hours remaining, 115.046875 MB of memory in use. ENERGY: 1843200 691.9918 1852.2895 1964.1901 118.2292 2.0457 -1066.7192 0.0000 0.0000 2714.8339 6276.8611 299.8610 3562.0271 6308.5312 302.7817 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: 7401.26, 0.00390593/step Wall: 7401.26, 0.00390593/step, 0.712398 hours remaining, 115.046875 MB of memory in use. ENERGY: 1843400 659.4360 1855.8875 1956.6650 109.1667 0.8509 -1057.4687 0.0000 0.0000 2750.2841 6274.8215 303.7765 3524.5374 6306.0899 305.0453 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: 7402.04, 0.00390508/step Wall: 7402.04, 0.00390508/step, 0.712026 hours remaining, 115.046875 MB of memory in use. ENERGY: 1843600 654.1021 1847.5574 1976.9536 120.4716 1.6764 -1086.4855 0.0000 0.0000 2732.3112 6246.5868 301.7914 3514.2756 6283.1203 304.3278 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: 7402.82, 0.0039078/step Wall: 7402.82, 0.0039078/step, 0.712306 hours remaining, 115.046875 MB of memory in use. ENERGY: 1843800 688.6196 1898.7005 2000.6997 102.1792 0.4582 -1145.1998 0.0000 0.0000 2677.5894 6223.0469 295.7472 3545.4575 6255.5784 303.4310 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: 7403.6, 0.00390777/step Wall: 7403.6, 0.00390777/step, 0.712083 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1844000 653.1196 1863.2578 1978.7836 101.2713 0.1098 -1079.8382 0.0000 0.0000 2766.1329 6282.8367 305.5271 3516.7038 6314.7745 303.3014 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: 7404.39, 0.00390777/step Wall: 7404.39, 0.00390777/step, 0.711865 hours remaining, 115.046875 MB of memory in use. ENERGY: 1844200 670.8794 1869.0608 1974.2077 105.2125 0.1536 -1089.7379 0.0000 0.0000 2738.1371 6267.9131 302.4349 3529.7760 6301.8736 303.4410 LDB: ============= START OF LOAD BALANCING ============== 7407.08 LDB: ============== END OF LOAD BALANCING =============== 7407.08 LDB: =============== DONE WITH MIGRATION ================ 7407.08 LDB: ============= START OF LOAD BALANCING ============== 7407.48 LDB: ============== END OF LOAD BALANCING =============== 7407.48 LDB: =============== DONE WITH MIGRATION ================ 7407.48 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: 7405.17, 0.00391125/step Wall: 7405.17, 0.00391125/step, 0.712282 hours remaining, 115.046875 MB of memory in use. ENERGY: 1844400 687.2161 1875.5103 1983.3932 106.2812 1.0085 -1105.8912 0.0000 0.0000 2742.6425 6290.1605 302.9325 3547.5180 6325.3752 305.4489 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: 7405.95, 0.00390412/step Wall: 7405.95, 0.00390412/step, 0.710767 hours remaining, 115.046875 MB of memory in use. ENERGY: 1844600 657.0125 1893.0586 1964.9454 111.2895 1.2862 -1085.2598 0.0000 0.0000 2713.3559 6255.6883 299.6977 3542.3325 6287.4114 303.7162 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: 7406.73, 0.00390873/step Wall: 7406.73, 0.00390873/step, 0.711389 hours remaining, 115.046875 MB of memory in use. ENERGY: 1844800 658.7302 1845.4919 1953.4406 106.9158 0.6264 -1108.9206 0.0000 0.0000 2746.7897 6203.0741 303.3906 3456.2844 6238.6536 299.9913 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: 7407.51, 0.00390757/step Wall: 7407.51, 0.00390757/step, 0.710961 hours remaining, 115.046875 MB of memory in use. ENERGY: 1845000 671.4886 1819.4121 1974.5752 103.2164 2.4254 -1081.3636 0.0000 0.0000 2760.9214 6250.6754 304.9515 3489.7541 6285.9541 302.1619 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: 7408.29, 0.003908/step Wall: 7408.29, 0.003908/step, 0.710821 hours remaining, 115.046875 MB of memory in use. ENERGY: 1845200 646.3843 1845.9428 1958.8906 109.2953 1.6401 -1083.5770 0.0000 0.0000 2713.9847 6192.5609 299.7672 3478.5761 6229.0486 300.7685 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: 7409.07, 0.00390575/step Wall: 7409.07, 0.00390575/step, 0.710195 hours remaining, 115.046875 MB of memory in use. ENERGY: 1845400 653.7625 1876.7046 1945.4173 111.7764 1.8377 -1105.3165 0.0000 0.0000 2698.3207 6182.5026 298.0370 3484.1819 6216.4792 300.3539 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: 7409.86, 0.00390862/step Wall: 7409.86, 0.00390862/step, 0.7105 hours remaining, 115.046875 MB of memory in use. ENERGY: 1845600 643.4509 1803.4534 1968.7073 107.9839 1.3271 -1101.1156 0.0000 0.0000 2696.0740 6119.8810 297.7889 3423.8069 6154.4596 297.4824 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: 7410.64, 0.00390812/step Wall: 7410.64, 0.00390812/step, 0.710192 hours remaining, 115.046875 MB of memory in use. ENERGY: 1845800 621.8065 1795.3891 1959.7644 104.8531 2.9798 -1095.1513 0.0000 0.0000 2770.3528 6159.9944 305.9932 3389.6416 6197.8438 297.9442 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: 7411.42, 0.00390936/step Wall: 7411.42, 0.00390936/step, 0.710201 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1846000 658.7069 1852.8684 1941.5235 105.3466 2.2212 -1110.4048 0.0000 0.0000 2655.7965 6106.0582 293.3401 3450.2618 6139.9259 297.4434 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: 7412.2, 0.00390892/step Wall: 7412.2, 0.00390892/step, 0.709902 hours remaining, 115.046875 MB of memory in use. ENERGY: 1846200 656.7642 1832.6312 1968.7904 100.4632 0.5483 -1102.0375 0.0000 0.0000 2670.6566 6127.8164 294.9815 3457.1598 6161.5849 295.2577 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: 7412.98, 0.0039066/step Wall: 7412.98, 0.0039066/step, 0.709266 hours remaining, 115.046875 MB of memory in use. ENERGY: 1846400 645.5596 1820.2214 1918.1306 100.8275 0.0908 -1088.6328 0.0000 0.0000 2693.7222 6089.9193 297.5291 3396.1970 6124.0808 295.2611 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: 7413.76, 0.00390737/step Wall: 7413.76, 0.00390737/step, 0.709187 hours remaining, 115.046875 MB of memory in use. ENERGY: 1846600 646.1262 1825.2718 1938.0161 109.5999 -0.5991 -1109.4775 0.0000 0.0000 2729.2751 6138.2125 301.4560 3408.9374 6173.4290 295.3669 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: 7414.55, 0.00390911/step Wall: 7414.55, 0.00390911/step, 0.709285 hours remaining, 115.046875 MB of memory in use. ENERGY: 1846800 661.3332 1874.2913 1943.1410 105.0970 1.3834 -1073.9169 0.0000 0.0000 2691.4037 6202.7326 297.2730 3511.3289 6234.3381 300.9151 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: 7415.33, 0.0039086/step Wall: 7415.33, 0.0039086/step, 0.708977 hours remaining, 115.046875 MB of memory in use. ENERGY: 1847000 650.6460 1814.2592 1977.4439 110.9515 1.1310 -1067.4428 0.0000 0.0000 2712.7546 6199.7433 299.6313 3486.9887 6233.8208 300.4907 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: 7416.11, 0.00390864/step Wall: 7416.11, 0.00390864/step, 0.708767 hours remaining, 115.046875 MB of memory in use. ENERGY: 1847200 637.5459 1894.5071 1943.3383 102.7209 1.5578 -1105.9059 0.0000 0.0000 2686.0887 6159.8527 296.6860 3473.7640 6191.9906 300.0546 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: 7416.89, 0.00390599/step Wall: 7416.89, 0.00390598/step, 0.708067 hours remaining, 115.046875 MB of memory in use. ENERGY: 1847400 644.2633 1848.5358 1944.1051 115.8146 1.9615 -1124.8826 0.0000 0.0000 2716.9999 6146.7976 300.1002 3429.7977 6179.4241 297.7238 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: 7417.67, 0.00390851/step Wall: 7417.67, 0.00390851/step, 0.70831 hours remaining, 115.046875 MB of memory in use. ENERGY: 1847600 606.6671 1887.7033 1929.5583 112.9741 1.8106 -1082.1676 0.0000 0.0000 2686.2170 6142.7629 296.7002 3456.5458 6177.7039 296.9268 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: 7418.45, 0.00391014/step Wall: 7418.45, 0.00391014/step, 0.708387 hours remaining, 115.046875 MB of memory in use. ENERGY: 1847800 639.9950 1831.4620 1964.1686 107.5309 1.0546 -1088.9735 0.0000 0.0000 2672.1363 6127.3739 295.1449 3455.2376 6162.3643 296.0671 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: 7419.24, 0.00390702/step Wall: 7419.24, 0.00390702/step, 0.707605 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1848000 642.3258 1835.4561 1934.9890 103.9185 0.3340 -1071.4956 0.0000 0.0000 2683.7369 6129.2647 296.4262 3445.5278 6163.4763 297.5507 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: 7420.02, 0.00390624/step Wall: 7420.02, 0.00390624/step, 0.707246 hours remaining, 115.046875 MB of memory in use. ENERGY: 1848200 627.0244 1818.0681 1945.2136 102.9777 0.3269 -1100.6218 0.0000 0.0000 2697.8605 6090.8493 297.9862 3392.9889 6125.9696 294.0929 LDB: ============= START OF LOAD BALANCING ============== 7422.72 LDB: ============== END OF LOAD BALANCING =============== 7422.72 LDB: =============== DONE WITH MIGRATION ================ 7422.72 LDB: ============= START OF LOAD BALANCING ============== 7423.11 LDB: ============== END OF LOAD BALANCING =============== 7423.11 LDB: =============== DONE WITH MIGRATION ================ 7423.11 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: 7420.8, 0.003912/step Wall: 7420.8, 0.003912/step, 0.708072 hours remaining, 115.046875 MB of memory in use. ENERGY: 1848400 628.4813 1812.8765 1946.7137 94.7250 0.4076 -1071.7622 0.0000 0.0000 2682.4390 6093.8809 296.2829 3411.4419 6129.0288 294.2361 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: 7421.58, 0.00390679/step Wall: 7421.58, 0.00390679/step, 0.706912 hours remaining, 115.046875 MB of memory in use. ENERGY: 1848600 645.7617 1795.0292 1951.0206 106.8652 2.3941 -1093.6267 0.0000 0.0000 2659.0296 6066.4736 293.6972 3407.4440 6097.1593 295.4592 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: 7422.36, 0.00390826/step Wall: 7422.36, 0.00390826/step, 0.706962 hours remaining, 115.046875 MB of memory in use. ENERGY: 1848800 622.9696 1821.7126 1969.1460 113.4798 1.5492 -1085.2072 0.0000 0.0000 2639.8096 6083.4597 291.5743 3443.6501 6116.9797 293.3890 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: 7423.14, 0.00390834/step Wall: 7423.14, 0.00390834/step, 0.706759 hours remaining, 115.046875 MB of memory in use. ENERGY: 1849000 646.2600 1833.5412 1955.6093 100.8711 -0.4891 -1082.1787 0.0000 0.0000 2613.0537 6066.6675 288.6191 3453.6138 6098.0853 292.3750 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: 7423.93, 0.0039071/step Wall: 7423.93, 0.0039071/step, 0.706316 hours remaining, 115.046875 MB of memory in use. ENERGY: 1849200 670.8415 1813.8153 1941.2194 97.8205 1.4135 -1058.6767 0.0000 0.0000 2667.0220 6133.4555 294.5800 3466.4334 6163.2974 293.6680 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: 7424.71, 0.00391095/step Wall: 7424.71, 0.00391095/step, 0.706796 hours remaining, 115.046875 MB of memory in use. ENERGY: 1849400 696.4101 1807.4393 1975.5137 104.3646 0.9221 -1103.0649 0.0000 0.0000 2685.3829 6166.9677 296.6080 3481.5848 6197.7952 296.9823 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: 7425.49, 0.00390931/step Wall: 7425.49, 0.00390931/step, 0.706282 hours remaining, 115.046875 MB of memory in use. ENERGY: 1849600 674.2279 1788.8781 1990.9540 120.3866 0.1417 -1102.0828 0.0000 0.0000 2669.2817 6141.7872 294.8296 3472.5055 6174.2410 297.9437 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: 7426.27, 0.00390862/step Wall: 7426.27, 0.00390862/step, 0.705941 hours remaining, 115.046875 MB of memory in use. ENERGY: 1849800 668.4724 1813.8890 1968.8454 119.2422 0.2869 -1088.2594 0.0000 0.0000 2706.8923 6189.3688 298.9838 3482.4766 6222.0080 298.2438 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: 7427.05, 0.00390782/step Wall: 7427.05, 0.00390782/step, 0.705579 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1850000 664.9506 1797.7461 1961.9387 113.0453 1.0823 -1114.3372 0.0000 0.0000 2760.3755 6184.8013 304.8912 3424.4258 6218.0222 299.3335 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1850000 WRITING COORDINATES TO DCD FILE MD.1.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: 7427.89, 0.00418763/step Wall: 7427.89, 0.00418763/step, 0.755867 hours remaining, 115.046875 MB of memory in use. ENERGY: 1850200 658.0800 1854.7423 1945.8508 104.8924 1.9784 -1078.8444 0.0000 0.0000 2726.5464 6213.2458 301.1546 3486.6995 6246.0695 299.5525 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: 7428.67, 0.00391345/step Wall: 7428.67, 0.00391345/step, 0.70616 hours remaining, 115.046875 MB of memory in use. ENERGY: 1850400 677.3075 1864.9328 1970.7541 101.7200 0.2828 -1066.7993 0.0000 0.0000 2666.5955 6214.7934 294.5329 3548.1979 6245.8676 301.6313 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: 7429.45, 0.00391052/step Wall: 7429.45, 0.00391052/step, 0.705414 hours remaining, 115.046875 MB of memory in use. ENERGY: 1850600 648.3790 1847.5569 1967.4479 113.8029 0.7493 -1114.1812 0.0000 0.0000 2789.1011 6252.8558 308.0640 3463.7547 6284.6302 301.0152 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: 7430.24, 0.00391046/step Wall: 7430.24, 0.00391046/step, 0.705186 hours remaining, 115.046875 MB of memory in use. ENERGY: 1850800 664.4876 1826.5741 1962.6719 103.6134 1.4820 -1072.2035 0.0000 0.0000 2758.1677 6244.7932 304.6473 3486.6255 6283.1309 301.7263 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: 7431.02, 0.00390743/step Wall: 7431.02, 0.00390743/step, 0.704422 hours remaining, 115.046875 MB of memory in use. ENERGY: 1851000 630.1825 1797.7010 2001.7329 122.8250 0.7329 -1035.4276 0.0000 0.0000 2718.6733 6236.4200 300.2850 3517.7467 6272.4312 301.8275 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: 7431.8, 0.00391099/step Wall: 7431.8, 0.00391099/step, 0.704848 hours remaining, 115.046875 MB of memory in use. ENERGY: 1851200 653.8272 1829.5064 1975.3126 105.3368 0.9973 -1104.5862 0.0000 0.0000 2762.9754 6223.3695 305.1783 3460.3941 6257.7771 302.3079 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: 7432.58, 0.00391143/step Wall: 7432.58, 0.00391142/step, 0.704708 hours remaining, 115.046875 MB of memory in use. ENERGY: 1851400 686.3845 1813.5278 1953.4661 104.7507 0.7661 -1090.1147 0.0000 0.0000 2707.3955 6176.1760 299.0394 3468.7806 6207.6027 301.1870 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: 7433.37, 0.0039105/step Wall: 7433.37, 0.0039105/step, 0.704325 hours remaining, 115.046875 MB of memory in use. ENERGY: 1851600 665.1181 1837.8816 1954.5675 118.3667 0.9310 -1107.8361 0.0000 0.0000 2692.2977 6161.3265 297.3718 3469.0287 6194.4635 298.6294 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: 7434.15, 0.00390928/step Wall: 7434.15, 0.00390928/step, 0.703888 hours remaining, 115.046875 MB of memory in use. ENERGY: 1851800 649.9993 1852.9379 1953.9679 125.0716 0.8774 -1153.4579 0.0000 0.0000 2709.7048 6139.1009 299.2944 3429.3962 6173.8342 298.7431 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: 7434.93, 0.00390632/step Wall: 7434.93, 0.00390632/step, 0.703137 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1852000 673.0574 1874.9706 1946.1949 110.2442 3.0031 -1119.6025 0.0000 0.0000 2736.9130 6224.7807 302.2997 3487.8677 6261.7545 300.7226 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: 7435.71, 0.0039104/step Wall: 7435.71, 0.0039104/step, 0.703656 hours remaining, 115.046875 MB of memory in use. ENERGY: 1852200 644.4872 1855.9335 1968.8177 114.7911 0.6658 -1100.2647 0.0000 0.0000 2694.5570 6178.9874 297.6213 3484.4304 6212.8543 301.7722 LDB: ============= START OF LOAD BALANCING ============== 7438.41 LDB: ============== END OF LOAD BALANCING =============== 7438.41 LDB: =============== DONE WITH MIGRATION ================ 7438.41 LDB: ============= START OF LOAD BALANCING ============== 7438.8 LDB: ============== END OF LOAD BALANCING =============== 7438.8 LDB: =============== DONE WITH MIGRATION ================ 7438.8 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: 7436.49, 0.00391474/step Wall: 7436.49, 0.00391474/step, 0.704218 hours remaining, 115.046875 MB of memory in use. ENERGY: 1852400 710.5703 1796.4724 1948.0360 108.1084 2.8048 -1109.7653 0.0000 0.0000 2779.0863 6235.3129 306.9578 3456.2267 6271.3295 301.5579 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: 7437.28, 0.00390913/step Wall: 7437.28, 0.00390913/step, 0.702993 hours remaining, 115.046875 MB of memory in use. ENERGY: 1852600 665.1418 1861.0003 1993.1714 117.1851 0.8944 -1126.4383 0.0000 0.0000 2749.4244 6260.3791 303.6816 3510.9547 6292.1268 303.8575 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: 7438.06, 0.00390725/step Wall: 7438.06, 0.00390725/step, 0.702437 hours remaining, 115.046875 MB of memory in use. ENERGY: 1852800 648.9241 1927.5883 1978.8584 110.0355 0.4933 -1073.6654 0.0000 0.0000 2695.8440 6288.0782 297.7635 3592.2342 6321.6520 305.3844 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: 7438.84, 0.00391638/step Wall: 7438.84, 0.00391638/step, 0.70386 hours remaining, 115.046875 MB of memory in use. ENERGY: 1853000 625.7560 1896.8970 1943.2479 99.0114 0.3845 -1064.3431 0.0000 0.0000 2783.5954 6284.5491 307.4559 3500.9538 6318.9213 304.5129 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: 7439.62, 0.00391076/step Wall: 7439.62, 0.00391076/step, 0.702633 hours remaining, 115.046875 MB of memory in use. ENERGY: 1853200 653.3554 1872.7549 1972.5631 117.0283 1.4880 -1099.4459 0.0000 0.0000 2774.9783 6292.7221 306.5041 3517.7438 6324.2666 305.0040 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: 7440.4, 0.00391135/step Wall: 7440.4, 0.00391135/step, 0.702523 hours remaining, 115.046875 MB of memory in use. ENERGY: 1853400 687.2847 1880.1852 1992.2842 112.7353 1.5173 -1147.1261 0.0000 0.0000 2748.3143 6275.1949 303.5590 3526.8806 6309.6977 305.7671 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: 7441.19, 0.00391406/step Wall: 7441.19, 0.00391406/step, 0.702791 hours remaining, 115.046875 MB of memory in use. ENERGY: 1853600 652.8537 1868.7565 1968.0478 118.8928 2.1370 -1109.5076 0.0000 0.0000 2791.8812 6293.0613 308.3711 3501.1802 6327.9148 304.7815 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: 7441.97, 0.00390604/step Wall: 7441.97, 0.00390604/step, 0.701134 hours remaining, 115.046875 MB of memory in use. ENERGY: 1853800 663.0063 1878.4745 1944.3835 121.0183 1.6944 -1097.7608 0.0000 0.0000 2753.9653 6264.7816 304.1831 3510.8163 6297.0964 304.7513 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: 7442.75, 0.00391153/step Wall: 7442.75, 0.00391153/step, 0.701902 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1854000 651.3786 1855.4012 1954.8239 105.3288 2.3890 -1107.0422 0.0000 0.0000 2749.2201 6211.4994 303.6590 3462.2794 6245.6282 302.7836 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: 7443.53, 0.00391262/step Wall: 7443.53, 0.00391262/step, 0.701881 hours remaining, 115.046875 MB of memory in use. ENERGY: 1854200 688.9471 1835.2772 1928.4815 115.8311 0.8552 -1106.9197 0.0000 0.0000 2747.3672 6209.8396 303.4544 3462.4724 6245.3079 301.8903 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: 7444.32, 0.00391322/step Wall: 7444.32, 0.00391322/step, 0.701772 hours remaining, 115.046875 MB of memory in use. ENERGY: 1854400 658.0466 1832.3644 1946.9795 107.0039 1.3111 -1087.3135 0.0000 0.0000 2734.2355 6192.6275 302.0039 3458.3921 6226.5351 300.6079 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: 7445.1, 0.00390732/step Wall: 7445.1, 0.00390732/step, 0.700496 hours remaining, 115.046875 MB of memory in use. ENERGY: 1854600 662.9120 1850.9729 1961.4609 110.8680 2.0380 -1112.2640 0.0000 0.0000 2724.5157 6200.5036 300.9303 3475.9879 6236.2469 299.7809 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: 7445.88, 0.00391119/step Wall: 7445.88, 0.00391118/step, 0.70097 hours remaining, 115.046875 MB of memory in use. ENERGY: 1854800 679.9094 1855.5389 1952.5982 110.3633 1.6634 -1128.8194 0.0000 0.0000 2701.3771 6172.6308 298.3746 3471.2537 6206.8966 299.2120 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: 7446.66, 0.00391145/step Wall: 7446.66, 0.00391145/step, 0.700801 hours remaining, 115.046875 MB of memory in use. ENERGY: 1855000 681.2761 1840.8650 1949.0034 104.0489 0.9884 -1091.4459 0.0000 0.0000 2721.1056 6205.8415 300.5537 3484.7359 6240.8597 299.6816 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: 7447.44, 0.00391137/step Wall: 7447.44, 0.00391136/step, 0.700569 hours remaining, 115.046875 MB of memory in use. ENERGY: 1855200 672.4748 1814.1704 1965.9427 97.2900 2.3275 -1083.3588 0.0000 0.0000 2733.1191 6201.9657 301.8806 3468.8466 6235.7194 300.7402 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: 7448.23, 0.0039119/step Wall: 7448.23, 0.00391191/step, 0.700448 hours remaining, 115.046875 MB of memory in use. ENERGY: 1855400 664.1747 1871.4772 1926.3829 103.7398 1.3722 -1086.5549 0.0000 0.0000 2720.6980 6201.2898 300.5087 3480.5918 6233.3331 299.5778 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: 7449.01, 0.0039074/step Wall: 7449.01, 0.0039074/step, 0.699425 hours remaining, 115.046875 MB of memory in use. ENERGY: 1855600 661.3005 1890.1766 1952.7802 109.3849 0.9403 -1095.0593 0.0000 0.0000 2704.2687 6223.7919 298.6940 3519.5232 6258.6627 301.2393 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: 7449.79, 0.00391963/step Wall: 7449.79, 0.00391963/step, 0.701397 hours remaining, 115.046875 MB of memory in use. ENERGY: 1855800 675.3723 1844.3186 1979.2807 114.3382 0.4847 -1104.2744 0.0000 0.0000 2728.9395 6238.4596 301.4190 3509.5201 6271.9212 301.3986 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: 7450.57, 0.00391463/step Wall: 7450.57, 0.00391463/step, 0.700283 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1856000 658.1400 1865.1812 1972.7804 112.4558 0.9929 -1095.4414 0.0000 0.0000 2757.9342 6272.0433 304.6215 3514.1090 6304.8938 302.9637 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: 7451.36, 0.00391384/step Wall: 7451.36, 0.00391384/step, 0.699926 hours remaining, 115.046875 MB of memory in use. ENERGY: 1856200 719.7773 1806.3785 1967.7699 112.5151 0.2725 -1138.6774 0.0000 0.0000 2728.4403 6196.4762 301.3638 3468.0359 6230.0488 300.5918 LDB: ============= START OF LOAD BALANCING ============== 7454.06 LDB: ============== END OF LOAD BALANCING =============== 7454.06 LDB: =============== DONE WITH MIGRATION ================ 7454.06 LDB: ============= START OF LOAD BALANCING ============== 7454.45 LDB: ============== END OF LOAD BALANCING =============== 7454.45 LDB: =============== DONE WITH MIGRATION ================ 7454.45 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: 7452.14, 0.00391286/step Wall: 7452.14, 0.00391286/step, 0.699533 hours remaining, 115.046875 MB of memory in use. ENERGY: 1856400 640.4554 1885.0543 1942.8018 106.9003 0.9911 -1112.9313 0.0000 0.0000 2732.1156 6195.3872 301.7698 3463.2715 6230.2386 301.1382 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: 7452.92, 0.00391253/step Wall: 7452.92, 0.00391253/step, 0.699257 hours remaining, 115.046875 MB of memory in use. ENERGY: 1856600 644.1255 1878.1782 1985.6515 94.2786 0.6776 -1101.2293 0.0000 0.0000 2735.7175 6237.3997 302.1676 3501.6822 6272.5224 301.1804 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: 7453.71, 0.0039132/step Wall: 7453.71, 0.0039132/step, 0.699158 hours remaining, 115.046875 MB of memory in use. ENERGY: 1856800 648.6421 1865.8782 1949.2932 109.2982 0.6562 -1038.8550 0.0000 0.0000 2679.0261 6213.9390 295.9059 3534.9129 6244.8928 301.8603 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: 7454.49, 0.0039128/step Wall: 7454.49, 0.00391279/step, 0.698869 hours remaining, 115.046875 MB of memory in use. ENERGY: 1857000 667.6412 1859.7449 1932.6553 102.7095 0.7366 -1072.4300 0.0000 0.0000 2681.3636 6172.4211 296.1641 3491.0575 6204.5482 299.6971 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: 7455.27, 0.00391026/step Wall: 7455.27, 0.00391027/step, 0.698201 hours remaining, 115.046875 MB of memory in use. ENERGY: 1857200 645.0134 1880.5918 1953.7983 105.5066 1.0764 -1104.1786 0.0000 0.0000 2718.8748 6200.6827 300.3073 3481.8079 6235.2149 298.9962 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: 7456.05, 0.00390474/step Wall: 7456.05, 0.00390474/step, 0.696997 hours remaining, 115.046875 MB of memory in use. ENERGY: 1857400 647.7460 1837.5292 2004.9823 95.2200 0.2743 -1106.1514 0.0000 0.0000 2701.0558 6180.6563 298.3391 3479.6005 6213.7580 300.8283 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: 7456.83, 0.00391119/step Wall: 7456.83, 0.00391119/step, 0.69793 hours remaining, 115.046875 MB of memory in use. ENERGY: 1857600 639.5425 1817.6803 1961.7681 113.8908 2.2269 -1095.0345 0.0000 0.0000 2713.9854 6154.0596 299.7672 3440.0742 6189.3417 297.1610 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: 7457.62, 0.00391083/step Wall: 7457.62, 0.00391083/step, 0.697649 hours remaining, 115.046875 MB of memory in use. ENERGY: 1857800 654.1188 1811.5773 1962.6035 103.2179 2.0778 -1061.8255 0.0000 0.0000 2677.6664 6149.4362 295.7557 3471.7698 6184.2207 297.0892 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: 7458.4, 0.0039143/step Wall: 7458.4, 0.0039143/step, 0.698051 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1858000 662.9971 1911.5457 1959.1200 108.1061 1.2278 -1108.9089 0.0000 0.0000 2668.3985 6202.4863 294.7320 3534.0878 6232.0654 300.0691 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: 7459.18, 0.00390543/step Wall: 7459.18, 0.00390543/step, 0.696251 hours remaining, 115.046875 MB of memory in use. ENERGY: 1858200 650.2763 1843.9578 1960.4077 124.6588 0.9083 -1086.2455 0.0000 0.0000 2677.6986 6171.6620 295.7593 3493.9634 6203.4184 300.0405 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: 7459.96, 0.00390387/step Wall: 7459.96, 0.00390386/step, 0.695755 hours remaining, 115.046875 MB of memory in use. ENERGY: 1858400 678.8221 1821.9061 1956.1978 117.3954 0.1243 -1088.6155 0.0000 0.0000 2691.5201 6177.3504 297.2859 3485.8303 6208.8045 299.2177 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: 7460.74, 0.00390773/step Wall: 7460.74, 0.00390774/step, 0.696229 hours remaining, 115.046875 MB of memory in use. ENERGY: 1858600 652.0176 1879.8263 1952.2866 102.6554 0.9881 -1073.9075 0.0000 0.0000 2637.4239 6151.2904 291.3108 3513.8665 6183.8263 297.7304 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: 7461.52, 0.00390742/step Wall: 7461.52, 0.00390742/step, 0.695955 hours remaining, 115.046875 MB of memory in use. ENERGY: 1858800 675.8414 1838.3759 1943.5279 109.8556 3.0089 -1108.8572 0.0000 0.0000 2675.6754 6137.4280 295.5358 3461.7526 6170.4744 297.9959 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: 7462.3, 0.00390828/step Wall: 7462.3, 0.00390828/step, 0.695892 hours remaining, 115.046875 MB of memory in use. ENERGY: 1859000 668.1650 1870.2851 1967.4573 112.0988 2.7152 -1110.6323 0.0000 0.0000 2646.5751 6156.6643 292.3216 3510.0892 6187.9831 298.9033 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: 7463.09, 0.00390459/step Wall: 7463.09, 0.00390459/step, 0.695017 hours remaining, 115.046875 MB of memory in use. ENERGY: 1859200 648.1698 1853.4686 1968.9357 107.8003 2.0833 -1089.7944 0.0000 0.0000 2689.3558 6180.0192 297.0468 3490.6634 6211.0026 299.2927 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: 7463.87, 0.00390938/step Wall: 7463.87, 0.00390938/step, 0.695653 hours remaining, 115.046875 MB of memory in use. ENERGY: 1859400 643.7072 1822.1236 1975.5662 113.8886 1.6666 -1106.3425 0.0000 0.0000 2655.3001 6105.9099 293.2853 3450.6098 6138.8048 296.3164 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: 7464.65, 0.00390972/step Wall: 7464.65, 0.00390972/step, 0.695495 hours remaining, 115.046875 MB of memory in use. ENERGY: 1859600 656.6226 1849.6516 1968.9584 111.2140 1.9946 -1116.9934 0.0000 0.0000 2634.1067 6105.5546 290.9444 3471.4479 6137.3485 294.8316 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: 7465.43, 0.0039078/step Wall: 7465.43, 0.0039078/step, 0.694937 hours remaining, 115.046875 MB of memory in use. ENERGY: 1859800 644.7459 1848.3249 1919.2549 110.0525 1.7728 -1095.1795 0.0000 0.0000 2647.0390 6076.0106 292.3728 3428.9716 6108.6748 295.1092 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: 7466.21, 0.00390886/step Wall: 7466.21, 0.00390886/step, 0.694908 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1860000 688.1436 1798.8928 1939.0509 115.6540 2.2332 -1114.6477 0.0000 0.0000 2690.0849 6119.4117 297.1274 3429.3268 6155.0661 294.6054 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1860000 WRITING COORDINATES TO DCD FILE MD.1.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: 7467.03, 0.00408841/step Wall: 7467.03, 0.00408841/step, 0.726601 hours remaining, 115.046875 MB of memory in use. ENERGY: 1860200 667.0520 1893.7280 1961.3036 114.0813 2.7784 -1119.4502 0.0000 0.0000 2665.2413 6184.7343 294.3833 3519.4930 6216.0473 298.0952 LDB: ============= START OF LOAD BALANCING ============== 7469.73 LDB: ============== END OF LOAD BALANCING =============== 7469.73 LDB: =============== DONE WITH MIGRATION ================ 7469.73 LDB: ============= START OF LOAD BALANCING ============== 7470.12 LDB: ============== END OF LOAD BALANCING =============== 7470.12 LDB: =============== DONE WITH MIGRATION ================ 7470.12 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: 7467.81, 0.00391334/step Wall: 7467.81, 0.00391334/step, 0.69527 hours remaining, 115.046875 MB of memory in use. ENERGY: 1860400 672.3991 1853.1532 1971.4127 111.4396 2.0847 -1123.3035 0.0000 0.0000 2646.9824 6134.1681 292.3666 3487.1857 6166.2578 295.9633 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: 7468.6, 0.00391034/step Wall: 7468.6, 0.00391034/step, 0.694521 hours remaining, 115.046875 MB of memory in use. ENERGY: 1860600 655.1302 1803.3989 1977.5842 101.7061 1.4283 -1131.6756 0.0000 0.0000 2693.6285 6101.2005 297.5188 3407.5721 6132.7318 296.1768 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: 7469.38, 0.00391007/step Wall: 7469.38, 0.00391007/step, 0.694255 hours remaining, 115.046875 MB of memory in use. ENERGY: 1860800 653.4033 1829.3985 1967.8430 101.0652 0.8908 -1092.5689 0.0000 0.0000 2663.1354 6123.1673 294.1507 3460.0319 6156.3140 296.5118 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: 7470.16, 0.00390496/step Wall: 7470.16, 0.00390496/step, 0.693131 hours remaining, 115.046875 MB of memory in use. ENERGY: 1861000 693.5241 1825.6275 2012.3859 113.2282 1.7599 -1128.5294 0.0000 0.0000 2653.2284 6171.2246 293.0565 3517.9963 6202.0997 296.9695 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: 7470.94, 0.00391031/step Wall: 7470.94, 0.00391031/step, 0.693863 hours remaining, 115.046875 MB of memory in use. ENERGY: 1861200 657.2341 1841.5450 1946.1645 113.6457 2.3491 -1079.9233 0.0000 0.0000 2722.7465 6203.7616 300.7349 3481.0151 6236.1489 299.0198 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: 7471.72, 0.00390932/step Wall: 7471.72, 0.00390932/step, 0.69347 hours remaining, 115.046875 MB of memory in use. ENERGY: 1861400 664.6303 1840.7205 1940.4271 108.6523 -0.2799 -1077.4294 0.0000 0.0000 2678.0183 6154.7392 295.7946 3476.7209 6185.8955 298.5729 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: 7472.5, 0.00390842/step Wall: 7472.5, 0.00390842/step, 0.693092 hours remaining, 115.046875 MB of memory in use. ENERGY: 1861600 658.4080 1804.8406 1953.2019 108.1094 0.4729 -1118.3772 0.0000 0.0000 2665.8758 6072.5313 294.4534 3406.6555 6104.2168 294.5877 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: 7473.29, 0.00390889/step Wall: 7473.29, 0.00390889/step, 0.692959 hours remaining, 115.046875 MB of memory in use. ENERGY: 1861800 626.3712 1812.9761 1944.8823 98.6744 2.1947 -1085.9596 0.0000 0.0000 2694.8826 6094.0218 297.6573 3399.1393 6127.2263 293.0290 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: 7474.07, 0.00390296/step Wall: 7474.07, 0.00390296/step, 0.69169 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1862000 638.1966 1778.1298 1971.3417 116.0490 1.3041 -1090.0178 0.0000 0.0000 2687.1435 6102.1468 296.8025 3415.0033 6135.9119 294.6389 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: 7474.85, 0.0039107/step Wall: 7474.85, 0.0039107/step, 0.692845 hours remaining, 115.046875 MB of memory in use. ENERGY: 1862200 656.5877 1877.1669 1932.1404 112.5847 2.4408 -1113.7516 0.0000 0.0000 2672.6887 6139.8577 295.2059 3467.1690 6171.4336 295.7276 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: 7475.63, 0.00390979/step Wall: 7475.63, 0.00390979/step, 0.692467 hours remaining, 115.046875 MB of memory in use. ENERGY: 1862400 658.9610 1868.4361 1953.5625 104.4091 1.7227 -1155.3569 0.0000 0.0000 2736.5019 6168.2364 302.2543 3431.7345 6200.4155 297.6462 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: 7476.41, 0.00391106/step Wall: 7476.41, 0.00391106/step, 0.692474 hours remaining, 115.046875 MB of memory in use. ENERGY: 1862600 641.1939 1904.3312 1978.5592 117.9954 1.8029 -1133.0343 0.0000 0.0000 2707.8537 6218.7021 299.0900 3510.8483 6253.4438 300.6544 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: 7477.19, 0.00390183/step Wall: 7477.19, 0.00390183/step, 0.690624 hours remaining, 115.046875 MB of memory in use. ENERGY: 1862800 651.9526 1845.5047 1998.4014 109.7766 1.6951 -1128.5375 0.0000 0.0000 2736.7902 6215.5830 302.2861 3478.7928 6251.7612 303.3290 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: 7477.97, 0.00390804/step Wall: 7477.97, 0.00390804/step, 0.691506 hours remaining, 115.046875 MB of memory in use. ENERGY: 1863000 685.7949 1840.5695 1982.2043 110.1013 0.8879 -1138.4081 0.0000 0.0000 2662.3857 6143.5354 294.0679 3481.1497 6173.6480 299.2721 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: 7478.76, 0.00391708/step Wall: 7478.76, 0.00391708/step, 0.692888 hours remaining, 115.046875 MB of memory in use. ENERGY: 1863200 660.9263 1866.8574 1940.7286 108.0864 3.0737 -1099.3017 0.0000 0.0000 2655.9693 6136.3399 293.3592 3480.3707 6169.2399 297.7966 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: 7479.54, 0.00390535/step Wall: 7479.54, 0.00390535/step, 0.690595 hours remaining, 115.046875 MB of memory in use. ENERGY: 1863400 657.5298 1825.8654 1955.1709 115.3628 2.7813 -1140.3829 0.0000 0.0000 2690.8554 6107.1826 297.2125 3416.3272 6139.0315 298.9438 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: 7480.32, 0.00390476/step Wall: 7480.32, 0.00390476/step, 0.690276 hours remaining, 115.046875 MB of memory in use. ENERGY: 1863600 650.3055 1816.5643 1998.1268 123.5769 1.2495 -1114.4591 0.0000 0.0000 2666.1297 6141.4936 294.4815 3475.3639 6172.2272 297.4988 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: 7481.1, 0.00390165/step Wall: 7481.1, 0.00390165/step, 0.689508 hours remaining, 115.046875 MB of memory in use. ENERGY: 1863800 639.8375 1878.5888 1954.9456 116.3683 2.3165 -1115.4598 0.0000 0.0000 2706.4524 6183.0493 298.9352 3476.5969 6216.3654 299.3607 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: 7481.88, 0.00390527/step Wall: 7481.88, 0.00390527/step, 0.689932 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1864000 668.5504 1868.6889 1945.1481 104.9702 1.8585 -1134.0728 0.0000 0.0000 2748.9003 6204.0436 303.6237 3455.1434 6240.0032 300.7137 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: 7482.66, 0.00390766/step Wall: 7482.66, 0.00390766/step, 0.690136 hours remaining, 115.046875 MB of memory in use. ENERGY: 1864200 649.1887 1831.1912 1952.7382 108.0400 1.6777 -1093.7716 0.0000 0.0000 2772.0092 6221.0734 306.1761 3449.0642 6258.6985 300.9960 LDB: ============= START OF LOAD BALANCING ============== 7485.36 LDB: ============== END OF LOAD BALANCING =============== 7485.36 LDB: =============== DONE WITH MIGRATION ================ 7485.36 LDB: ============= START OF LOAD BALANCING ============== 7485.75 LDB: ============== END OF LOAD BALANCING =============== 7485.75 LDB: =============== DONE WITH MIGRATION ================ 7485.75 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: 7483.45, 0.00391244/step Wall: 7483.45, 0.00391244/step, 0.690763 hours remaining, 115.046875 MB of memory in use. ENERGY: 1864400 681.4878 1885.8188 1929.5584 98.9953 2.7559 -1112.4072 0.0000 0.0000 2737.5497 6223.7588 302.3700 3486.2091 6258.1495 300.9261 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: 7484.23, 0.00390268/step Wall: 7484.23, 0.00390268/step, 0.688823 hours remaining, 115.046875 MB of memory in use. ENERGY: 1864600 628.7697 1883.4290 2003.4975 117.3169 1.4467 -1085.8406 0.0000 0.0000 2658.1819 6206.8011 293.6036 3548.6192 6237.3754 300.3564 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: 7485.01, 0.0039071/step Wall: 7485.01, 0.0039071/step, 0.689386 hours remaining, 115.046875 MB of memory in use. ENERGY: 1864800 672.4130 1821.5309 1975.8829 117.8994 1.1312 -1092.9338 0.0000 0.0000 2718.5551 6214.4786 300.2720 3495.9235 6244.3212 299.9567 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: 7485.79, 0.00390635/step Wall: 7485.79, 0.00390635/step, 0.689037 hours remaining, 115.046875 MB of memory in use. ENERGY: 1865000 668.1178 1869.3600 1963.0477 120.7100 2.4942 -1063.7242 0.0000 0.0000 2731.6598 6291.6654 301.7194 3560.0056 6323.6703 301.3967 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: 7486.57, 0.00390752/step Wall: 7486.57, 0.00390752/step, 0.689027 hours remaining, 115.046875 MB of memory in use. ENERGY: 1865200 697.3440 1855.1341 1966.1865 102.6256 1.6815 -1054.6663 0.0000 0.0000 2758.0580 6326.3635 304.6352 3568.3054 6363.7160 305.6851 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: 7487.35, 0.00390723/step Wall: 7487.35, 0.00390723/step, 0.688758 hours remaining, 115.046875 MB of memory in use. ENERGY: 1865400 637.3743 1880.1823 1965.2825 110.2551 1.1074 -1088.3788 0.0000 0.0000 2796.1957 6302.0186 308.8476 3505.8228 6335.9665 306.3424 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: 7488.13, 0.00390268/step Wall: 7488.13, 0.00390268/step, 0.687739 hours remaining, 115.046875 MB of memory in use. ENERGY: 1865600 658.3745 1874.7663 1973.6321 112.4460 1.2951 -1097.7162 0.0000 0.0000 2744.4360 6267.2338 303.1306 3522.7977 6299.7588 305.8639 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: 7488.91, 0.00390829/step Wall: 7488.91, 0.00390829/step, 0.68851 hours remaining, 115.046875 MB of memory in use. ENERGY: 1865800 679.0313 1879.8675 1943.0845 106.2733 0.8165 -1101.7277 0.0000 0.0000 2762.9265 6270.2719 305.1729 3507.3454 6303.2524 303.4316 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: 7489.7, 0.00390795/step Wall: 7489.7, 0.00390795/step, 0.688233 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1866000 687.3360 1842.9240 1965.5053 99.9263 0.5414 -1082.8049 0.0000 0.0000 2744.9412 6258.3693 303.1864 3513.4281 6292.9837 303.9271 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: 7490.48, 0.00390883/step Wall: 7490.48, 0.00390883/step, 0.688172 hours remaining, 115.046875 MB of memory in use. ENERGY: 1866200 662.5542 1884.8654 1983.1041 99.6543 1.6352 -1125.5554 0.0000 0.0000 2686.8865 6193.1442 296.7741 3506.2577 6223.3543 302.5716 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: 7491.26, 0.0039078/step Wall: 7491.26, 0.0039078/step, 0.687772 hours remaining, 115.046875 MB of memory in use. ENERGY: 1866400 661.6043 1856.8126 1962.4985 95.9821 1.1816 -1085.3237 0.0000 0.0000 2698.8019 6191.5572 298.0902 3492.7553 6222.4336 299.5534 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: 7492.04, 0.00390367/step Wall: 7492.04, 0.00390367/step, 0.68683 hours remaining, 115.046875 MB of memory in use. ENERGY: 1866600 647.3937 1830.6858 1948.1284 110.5179 1.5311 -1090.1958 0.0000 0.0000 2743.7765 6191.8375 303.0578 3448.0610 6227.1587 300.1511 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: 7492.82, 0.00390697/step Wall: 7492.82, 0.00390697/step, 0.687193 hours remaining, 115.046875 MB of memory in use. ENERGY: 1866800 618.1147 1858.5797 1960.1550 104.9816 1.4526 -1063.4188 0.0000 0.0000 2665.3392 6145.2039 294.3941 3479.8647 6176.4453 299.2795 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: 7493.6, 0.00390685/step Wall: 7493.6, 0.00390685/step, 0.686955 hours remaining, 115.046875 MB of memory in use. ENERGY: 1867000 629.5579 1828.7325 1966.2345 108.6317 0.9165 -1069.8638 0.0000 0.0000 2705.4797 6169.6889 298.8278 3464.2093 6200.1201 297.9541 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: 7494.38, 0.00390989/step Wall: 7494.38, 0.00390989/step, 0.687272 hours remaining, 115.046875 MB of memory in use. ENERGY: 1867200 626.3122 1775.4482 1980.7387 110.0737 2.4685 -1074.1489 0.0000 0.0000 2703.7818 6124.6743 298.6402 3420.8925 6156.4168 296.4450 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: 7495.16, 0.00390222/step Wall: 7495.16, 0.00390222/step, 0.685707 hours remaining, 115.046875 MB of memory in use. ENERGY: 1867400 642.7497 1856.7021 1980.0679 109.5400 1.7355 -1142.2303 0.0000 0.0000 2702.4664 6151.0314 298.4949 3448.5649 6182.8687 296.7525 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: 7495.95, 0.00390636/step Wall: 7495.95, 0.00390636/step, 0.686217 hours remaining, 115.046875 MB of memory in use. ENERGY: 1867600 682.9644 1822.9633 1969.2390 95.0663 1.9233 -1115.7938 0.0000 0.0000 2726.6211 6182.9837 301.1629 3456.3625 6214.4698 298.8188 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: 7496.73, 0.00390751/step Wall: 7496.73, 0.00390751/step, 0.686201 hours remaining, 115.046875 MB of memory in use. ENERGY: 1867800 622.0839 1814.4190 1950.7602 111.1762 1.9394 -1072.2350 0.0000 0.0000 2706.6212 6134.7650 298.9538 3428.1438 6165.5023 299.1605 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: 7497.51, 0.0039069/step Wall: 7497.51, 0.0039069/step, 0.685878 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1868000 632.5023 1834.9170 1962.1566 102.8172 2.5193 -1091.9155 0.0000 0.0000 2681.9283 6124.9252 296.2265 3442.9969 6156.3098 296.5262 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: 7499.35, 0.00922027/step Wall: 7499.35, 0.00922026/step, 1.61816 hours remaining, 115.046875 MB of memory in use. ENERGY: 1868200 669.8119 1821.0620 1962.7592 125.7505 2.2357 -1107.9366 0.0000 0.0000 2751.1677 6224.8504 303.8741 3473.6828 6262.6265 299.1297 LDB: ============= START OF LOAD BALANCING ============== 7502.06 LDB: ============== END OF LOAD BALANCING =============== 7502.06 LDB: =============== DONE WITH MIGRATION ================ 7502.06 LDB: ============= START OF LOAD BALANCING ============== 7502.45 LDB: ============== END OF LOAD BALANCING =============== 7502.45 LDB: =============== DONE WITH MIGRATION ================ 7502.45 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: 7500.14, 0.00396118/step Wall: 7500.14, 0.00396118/step, 0.694968 hours remaining, 115.046875 MB of memory in use. ENERGY: 1868400 652.8096 1890.3635 1969.6531 112.0268 2.6065 -1142.9588 0.0000 0.0000 2639.7845 6124.2853 291.5715 3484.5008 6159.1568 297.6684 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: 7500.97, 0.00414855/step Wall: 7500.97, 0.00414855/step, 0.72761 hours remaining, 115.046875 MB of memory in use. ENERGY: 1868600 682.2323 1857.3681 1971.7334 113.5574 1.4375 -1097.8611 0.0000 0.0000 2653.7906 6182.2583 293.1186 3528.4676 6213.3299 298.2342 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: 7501.77, 0.00398721/step Wall: 7501.77, 0.00398721/step, 0.699091 hours remaining, 115.046875 MB of memory in use. ENERGY: 1868800 638.3555 1811.1197 1948.3099 128.2750 2.2475 -1113.1916 0.0000 0.0000 2736.5927 6151.7087 302.2643 3415.1160 6188.2224 299.5970 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: 7502.55, 0.00390506/step Wall: 7502.55, 0.00390506/step, 0.684471 hours remaining, 115.046875 MB of memory in use. ENERGY: 1869000 638.2410 1845.2373 1940.6961 113.0504 1.3873 -1111.6453 0.0000 0.0000 2701.4301 6128.3968 298.3805 3426.9666 6162.0759 297.9943 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: 7503.33, 0.00390387/step Wall: 7503.33, 0.00390386/step, 0.684043 hours remaining, 115.046875 MB of memory in use. ENERGY: 1869200 629.9151 1818.8655 1978.4576 107.0213 2.4460 -1134.9878 0.0000 0.0000 2688.5675 6090.2852 296.9598 3401.7177 6121.6309 295.3900 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: 7504.11, 0.00390406/step Wall: 7504.11, 0.00390406/step, 0.683862 hours remaining, 115.046875 MB of memory in use. ENERGY: 1869400 646.9757 1795.1599 1963.5962 106.7254 4.1586 -1118.3232 0.0000 0.0000 2696.1797 6094.4724 297.8006 3398.2927 6123.4267 293.8344 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: 7504.9, 0.0039035/step Wall: 7504.9, 0.0039035/step, 0.683545 hours remaining, 115.046875 MB of memory in use. ENERGY: 1869600 628.4480 1823.0182 1977.7229 102.6053 1.7823 -1098.2996 0.0000 0.0000 2705.2843 6140.5613 298.8062 3435.2770 6174.5490 296.6377 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: 7505.68, 0.00390261/step Wall: 7505.68, 0.00390261/step, 0.683173 hours remaining, 115.046875 MB of memory in use. ENERGY: 1869800 693.6909 1862.3621 1951.5168 114.7230 3.0578 -1121.6443 0.0000 0.0000 2651.4082 6155.1146 292.8554 3503.7064 6185.9498 298.4427 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: 7506.46, 0.00390627/step Wall: 7506.46, 0.00390627/step, 0.683596 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1870000 663.2869 1880.8587 1967.9661 99.7218 2.2084 -1128.3254 0.0000 0.0000 2622.4867 6108.2033 289.6610 3485.7166 6136.9483 297.1055 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1870000 WRITING COORDINATES TO DCD FILE MD.1.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: 7510.62, 0.0208324/step Wall: 7510.62, 0.0208324/step, 3.64451 hours remaining, 115.046875 MB of memory in use. ENERGY: 1870200 644.4268 1827.5222 1970.1419 107.0851 3.7109 -1133.9624 0.0000 0.0000 2690.4344 6109.3590 297.1660 3418.9245 6143.5540 296.5318 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: 7511.41, 0.00391681/step Wall: 7511.41, 0.00391681/step, 0.685007 hours remaining, 115.046875 MB of memory in use. ENERGY: 1870400 671.2299 1794.2645 1968.6220 111.6919 3.3568 -1126.7437 0.0000 0.0000 2719.5469 6141.9683 300.3815 3422.4214 6178.7094 296.3031 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: 7512.19, 0.0039033/step Wall: 7512.19, 0.0039033/step, 0.682428 hours remaining, 115.046875 MB of memory in use. ENERGY: 1870600 621.7306 1877.8365 1960.6972 109.8483 3.0152 -1113.3658 0.0000 0.0000 2657.6181 6117.3802 293.5413 3459.7620 6152.3484 296.1726 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: 7512.97, 0.00390576/step Wall: 7512.97, 0.00390576/step, 0.682639 hours remaining, 115.046875 MB of memory in use. ENERGY: 1870800 669.1299 1775.4770 1958.2088 98.8956 2.5375 -1065.4343 0.0000 0.0000 2664.6745 6103.4890 294.3207 3438.8145 6135.0867 295.6283 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: 7513.75, 0.00390532/step Wall: 7513.75, 0.00390532/step, 0.682347 hours remaining, 115.046875 MB of memory in use. ENERGY: 1871000 642.8415 1832.6637 1947.7393 104.8470 1.6746 -1121.0129 0.0000 0.0000 2717.9291 6126.6824 300.2028 3408.7532 6160.9892 294.4346 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: 7514.53, 0.00390552/step Wall: 7514.53, 0.00390552/step, 0.682164 hours remaining, 115.046875 MB of memory in use. ENERGY: 1871200 657.0221 1849.3402 1951.2756 114.8202 3.0426 -1093.7742 0.0000 0.0000 2645.9502 6127.6768 292.2526 3481.7265 6161.1369 296.4642 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: 7515.31, 0.00390453/step Wall: 7515.31, 0.00390452/step, 0.681772 hours remaining, 115.046875 MB of memory in use. ENERGY: 1871400 663.9349 1863.3949 1947.5410 106.5784 3.2615 -1100.1769 0.0000 0.0000 2672.6933 6157.2271 295.2064 3484.5337 6187.4296 298.6982 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: 7516.09, 0.00390427/step Wall: 7516.09, 0.00390428/step, 0.681513 hours remaining, 115.046875 MB of memory in use. ENERGY: 1871600 657.0964 1827.1260 1935.2614 109.1761 3.3797 -1071.9405 0.0000 0.0000 2681.7309 6141.8301 296.2046 3460.0992 6173.6782 299.1027 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: 7516.87, 0.00390854/step Wall: 7516.87, 0.00390854/step, 0.682039 hours remaining, 115.046875 MB of memory in use. ENERGY: 1871800 641.2645 1859.1532 1950.3636 106.9012 2.2110 -1097.8952 0.0000 0.0000 2735.8746 6197.8729 302.1850 3461.9983 6232.7089 299.3755 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: 7517.66, 0.00391386/step Wall: 7517.66, 0.00391386/step, 0.682752 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1872000 658.3996 1877.7778 1969.4533 113.4313 3.1151 -1109.6762 0.0000 0.0000 2694.1211 6206.6220 297.5732 3512.5009 6240.1803 298.7259 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: 7518.44, 0.00390923/step Wall: 7518.44, 0.00390923/step, 0.681726 hours remaining, 115.046875 MB of memory in use. ENERGY: 1872200 646.6737 1847.7149 1988.0950 122.2521 1.6738 -1103.0542 0.0000 0.0000 2728.8811 6232.2363 301.4125 3503.3552 6267.6976 302.3565 LDB: ============= START OF LOAD BALANCING ============== 7521.14 LDB: ============== END OF LOAD BALANCING =============== 7521.14 LDB: =============== DONE WITH MIGRATION ================ 7521.14 LDB: ============= START OF LOAD BALANCING ============== 7521.53 LDB: ============== END OF LOAD BALANCING =============== 7521.53 LDB: =============== DONE WITH MIGRATION ================ 7521.53 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: 7519.22, 0.0039056/step Wall: 7519.22, 0.0039056/step, 0.680876 hours remaining, 115.046875 MB of memory in use. ENERGY: 1872400 646.7914 1866.7839 1978.2901 100.2031 2.9016 -1096.1658 0.0000 0.0000 2721.3196 6220.1240 300.5773 3498.8044 6252.1453 303.5929 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: 7520, 0.00390594/step Wall: 7520, 0.00390594/step, 0.680719 hours remaining, 115.046875 MB of memory in use. ENERGY: 1872600 664.4787 1855.8912 1987.0429 104.6541 2.2479 -1117.8573 0.0000 0.0000 2773.8257 6270.2833 306.3768 3496.4575 6303.8665 303.0803 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: 7520.78, 0.00390867/step Wall: 7520.78, 0.00390867/step, 0.680978 hours remaining, 115.046875 MB of memory in use. ENERGY: 1872800 669.6507 1867.0689 1979.5785 103.5099 4.1796 -1139.4624 0.0000 0.0000 2703.4108 6187.9360 298.5993 3484.5252 6222.0737 302.7193 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: 7521.56, 0.00390787/step Wall: 7521.56, 0.00390787/step, 0.680621 hours remaining, 115.046875 MB of memory in use. ENERGY: 1873000 677.0385 1818.0089 1946.9829 105.2325 3.6556 -1090.3069 0.0000 0.0000 2712.4031 6173.0147 299.5925 3460.6116 6203.4627 298.2023 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: 7522.35, 0.00390782/step Wall: 7522.35, 0.00390782/step, 0.680394 hours remaining, 115.046875 MB of memory in use. ENERGY: 1873200 666.5681 1862.4840 1941.9744 123.1347 3.9738 -1113.8552 0.0000 0.0000 2694.2035 6178.4833 297.5823 3484.2797 6210.2487 298.5502 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: 7523.13, 0.00390035/step Wall: 7523.13, 0.00390035/step, 0.678878 hours remaining, 115.046875 MB of memory in use. ENERGY: 1873400 663.4312 1835.9193 1940.4016 111.5963 1.0698 -1098.7451 0.0000 0.0000 2693.9347 6147.6078 297.5526 3453.6731 6183.4737 298.5806 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: 7523.91, 0.00390669/step Wall: 7523.91, 0.00390669/step, 0.679765 hours remaining, 115.046875 MB of memory in use. ENERGY: 1873600 648.2927 1781.7743 1960.8850 112.4399 3.9412 -1074.4631 0.0000 0.0000 2678.8924 6111.7625 295.8911 3432.8700 6146.5419 296.7550 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: 7524.69, 0.00390975/step Wall: 7524.69, 0.00390975/step, 0.680078 hours remaining, 115.046875 MB of memory in use. ENERGY: 1873800 648.2637 1838.2509 1939.0039 87.1004 3.0042 -1109.0040 0.0000 0.0000 2675.9312 6082.5502 295.5641 3406.6190 6118.0095 295.4024 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: 7525.47, 0.003907/step Wall: 7525.47, 0.003907/step, 0.679385 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1874000 680.7498 1882.2842 1924.4303 118.2180 2.5563 -1123.0497 0.0000 0.0000 2670.0728 6155.2617 294.9170 3485.1889 6186.7451 295.5626 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: 7526.25, 0.00390068/step Wall: 7526.25, 0.00390068/step, 0.678068 hours remaining, 115.046875 MB of memory in use. ENERGY: 1874200 604.2511 1866.7747 1937.8369 114.8601 1.9456 -1091.4363 0.0000 0.0000 2684.4902 6118.7224 296.5094 3434.2322 6154.0946 296.8461 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: 7527.03, 0.00390953/step Wall: 7527.03, 0.00390953/step, 0.679389 hours remaining, 115.046875 MB of memory in use. ENERGY: 1874400 683.1857 1836.9006 1960.3229 104.0524 2.6691 -1096.1744 0.0000 0.0000 2641.7393 6132.6957 291.7875 3490.9564 6165.6606 295.2661 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: 7527.81, 0.0039064/step Wall: 7527.81, 0.0039064/step, 0.678629 hours remaining, 115.046875 MB of memory in use. ENERGY: 1874600 621.2352 1874.3924 1927.3165 104.7627 3.5266 -1064.5460 0.0000 0.0000 2680.0215 6146.7089 296.0158 3466.6874 6178.6534 297.9682 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: 7528.6, 0.00390792/step Wall: 7528.6, 0.00390792/step, 0.678676 hours remaining, 115.046875 MB of memory in use. ENERGY: 1874800 629.2198 1830.7773 1944.6437 123.7977 1.4536 -1121.3143 0.0000 0.0000 2711.2398 6119.8176 299.4640 3408.5778 6153.0946 297.1624 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: 7529.38, 0.00390864/step Wall: 7529.38, 0.00390864/step, 0.678584 hours remaining, 115.046875 MB of memory in use. ENERGY: 1875000 666.0754 1888.1254 1923.0051 94.4375 1.6698 -1097.5390 0.0000 0.0000 2723.3817 6199.1560 300.8051 3475.7744 6231.4946 298.6204 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: 7530.16, 0.00390171/step Wall: 7530.16, 0.00390171/step, 0.677164 hours remaining, 115.046875 MB of memory in use. ENERGY: 1875200 665.2518 1851.2483 1961.8590 103.6393 1.8180 -1121.9074 0.0000 0.0000 2704.1949 6166.1038 298.6859 3461.9088 6198.3104 298.9179 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: 7530.94, 0.00390775/step Wall: 7530.94, 0.00390775/step, 0.677995 hours remaining, 115.046875 MB of memory in use. ENERGY: 1875400 656.7059 1849.0188 1954.8049 112.8741 2.6577 -1114.9409 0.0000 0.0000 2750.4415 6211.5620 303.7939 3461.1205 6245.6759 299.0924 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: 7531.72, 0.00390669/step Wall: 7531.72, 0.00390669/step, 0.677594 hours remaining, 115.046875 MB of memory in use. ENERGY: 1875600 682.1085 1877.6278 1983.6258 106.1388 2.5891 -1124.6001 0.0000 0.0000 2677.9895 6205.4793 295.7914 3527.4898 6238.5563 301.0850 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: 7532.5, 0.00390759/step Wall: 7532.5, 0.00390759/step, 0.677533 hours remaining, 115.046875 MB of memory in use. ENERGY: 1875800 648.6244 1870.8675 1961.5645 110.3951 0.9505 -1074.1336 0.0000 0.0000 2697.6541 6215.9225 297.9634 3518.2683 6247.1461 299.1623 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: 7534.41, 0.00951498/step Wall: 7534.41, 0.00951498/step, 1.64926 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1876000 652.7289 1868.6023 1967.0843 111.1220 0.7022 -1092.5527 0.0000 0.0000 2691.1050 6198.7920 297.2400 3507.6870 6230.7281 300.3637 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: 7535.19, 0.00393248/step Wall: 7535.19, 0.00393248/step, 0.681412 hours remaining, 115.046875 MB of memory in use. ENERGY: 1876200 646.5421 1862.0143 1985.9380 102.2874 0.9921 -1111.1136 0.0000 0.0000 2728.6045 6215.2648 301.3820 3486.6602 6247.0131 300.8037 LDB: ============= START OF LOAD BALANCING ============== 7537.89 LDB: ============== END OF LOAD BALANCING =============== 7537.89 LDB: =============== DONE WITH MIGRATION ================ 7537.89 LDB: ============= START OF LOAD BALANCING ============== 7538.28 LDB: ============== END OF LOAD BALANCING =============== 7538.28 LDB: =============== DONE WITH MIGRATION ================ 7538.28 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: 7535.97, 0.00391022/step Wall: 7535.97, 0.00391022/step, 0.677337 hours remaining, 115.046875 MB of memory in use. ENERGY: 1876400 675.3432 1824.9824 1997.2582 99.9238 2.8465 -1087.4486 0.0000 0.0000 2694.4473 6207.3529 297.6092 3512.9056 6240.4521 299.3863 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: 7536.75, 0.00390575/step Wall: 7536.75, 0.00390575/step, 0.676346 hours remaining, 115.046875 MB of memory in use. ENERGY: 1876600 657.9209 1929.7312 1971.6206 113.8856 1.4370 -1115.4704 0.0000 0.0000 2676.3991 6235.5239 295.6157 3559.1248 6265.3851 300.6700 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: 7537.54, 0.00390556/step Wall: 7537.54, 0.00390556/step, 0.676095 hours remaining, 115.046875 MB of memory in use. ENERGY: 1876800 665.8701 1796.2047 1965.5095 117.3635 1.4281 -1086.8171 0.0000 0.0000 2766.7407 6226.2996 305.5942 3459.5589 6260.0443 301.0064 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: 7538.32, 0.00390246/step Wall: 7538.32, 0.00390246/step, 0.675342 hours remaining, 115.046875 MB of memory in use. ENERGY: 1877000 635.5164 1868.9166 1968.7775 112.3197 1.5851 -1089.4972 0.0000 0.0000 2665.0486 6162.6667 294.3620 3497.6181 6192.3505 300.2848 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: 7539.1, 0.00390803/step Wall: 7539.1, 0.00390803/step, 0.676089 hours remaining, 115.046875 MB of memory in use. ENERGY: 1877200 611.9072 1882.5134 1974.3165 117.4455 2.7013 -1146.8571 0.0000 0.0000 2712.3665 6154.3934 299.5884 3442.0269 6188.3698 299.1004 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: 7539.88, 0.00390594/step Wall: 7539.88, 0.00390593/step, 0.675509 hours remaining, 115.046875 MB of memory in use. ENERGY: 1877400 676.0228 1879.3498 1949.6605 116.5208 1.4333 -1140.4763 0.0000 0.0000 2735.7500 6218.2610 302.1712 3482.5109 6252.6687 300.4264 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: 7540.66, 0.00390808/step Wall: 7540.66, 0.00390809/step, 0.675665 hours remaining, 115.046875 MB of memory in use. ENERGY: 1877600 664.4918 1835.0659 1959.5644 105.0694 1.7021 -1083.3918 0.0000 0.0000 2765.2283 6247.7301 305.4272 3482.5019 6281.5838 304.2555 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: 7541.44, 0.00390811/step Wall: 7541.44, 0.00390811/step, 0.675452 hours remaining, 115.046875 MB of memory in use. ENERGY: 1877800 652.5423 1836.8806 1949.1118 119.8155 3.8079 -1056.0110 0.0000 0.0000 2716.1490 6222.2962 300.0062 3506.1472 6255.3266 302.4529 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: 7542.22, 0.00390144/step Wall: 7542.22, 0.00390144/step, 0.674081 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1878000 687.6909 1791.7652 1975.0407 123.7015 3.3199 -1080.2991 0.0000 0.0000 2701.8907 6203.1099 298.4314 3501.2192 6236.8798 300.2212 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: 7543, 0.00390991/step Wall: 7543, 0.00390991/step, 0.675329 hours remaining, 115.046875 MB of memory in use. ENERGY: 1878200 660.2792 1826.3876 1962.2897 109.8730 2.5597 -1106.8881 0.0000 0.0000 2715.2329 6169.7340 299.9050 3454.5010 6202.5533 299.9510 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: 7543.79, 0.00390971/step Wall: 7543.79, 0.00390971/step, 0.675076 hours remaining, 115.046875 MB of memory in use. ENERGY: 1878400 662.4718 1821.8176 1983.5819 121.0467 3.5305 -1108.5681 0.0000 0.0000 2699.2928 6183.1731 298.1444 3483.8804 6215.5519 299.2415 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: 7544.57, 0.003908/step Wall: 7544.57, 0.003908/step, 0.674563 hours remaining, 115.046875 MB of memory in use. ENERGY: 1878600 602.8090 1841.0154 1953.9021 108.5916 3.0091 -1136.8187 0.0000 0.0000 2803.9679 6176.4764 309.7061 3372.5085 6212.4868 299.1300 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: 7545.35, 0.0039056/step Wall: 7545.35, 0.0039056/step, 0.673932 hours remaining, 115.046875 MB of memory in use. ENERGY: 1878800 677.9793 1872.4898 1948.7757 102.7416 3.1714 -1108.2487 0.0000 0.0000 2757.1685 6254.0776 304.5369 3496.9091 6286.3658 302.4415 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: 7546.13, 0.00390376/step Wall: 7546.13, 0.00390376/step, 0.673399 hours remaining, 115.046875 MB of memory in use. ENERGY: 1879000 646.4316 1860.7028 1963.7878 113.4746 3.3007 -1069.9865 0.0000 0.0000 2703.0531 6220.7641 298.5597 3517.7110 6253.5438 303.3089 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: 7546.91, 0.00390823/step Wall: 7546.91, 0.00390823/step, 0.673953 hours remaining, 115.046875 MB of memory in use. ENERGY: 1879200 658.8030 1874.1999 1938.4892 106.1283 4.3846 -1109.8499 0.0000 0.0000 2697.8607 6170.0157 297.9862 3472.1550 6200.4954 300.3266 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: 7547.69, 0.0039072/step Wall: 7547.69, 0.0039072/step, 0.673558 hours remaining, 115.046875 MB of memory in use. ENERGY: 1879400 649.3706 1827.3416 1943.9250 109.9047 4.1393 -1077.7266 0.0000 0.0000 2721.2902 6178.2448 300.5741 3456.9545 6210.2429 299.7062 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: 7548.48, 0.00390849/step Wall: 7548.48, 0.00390849/step, 0.673563 hours remaining, 115.046875 MB of memory in use. ENERGY: 1879600 659.4187 1786.9158 1943.9343 114.5551 3.0468 -1073.1602 0.0000 0.0000 2733.9918 6168.7022 301.9770 3434.7104 6202.1891 298.1857 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: 7549.26, 0.00390163/step Wall: 7549.26, 0.00390163/step, 0.672164 hours remaining, 115.046875 MB of memory in use. ENERGY: 1879800 644.1070 1859.4128 1992.6486 115.9837 4.1421 -1133.9977 0.0000 0.0000 2710.6669 6192.9633 299.4007 3482.2964 6224.3467 299.5162 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: 7550.04, 0.00390918/step Wall: 7550.04, 0.00390918/step, 0.673249 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1880000 645.0200 1920.4822 1956.8712 118.2795 2.9376 -1146.6087 0.0000 0.0000 2716.2095 6213.1913 300.0129 3496.9818 6245.8552 301.2489 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1880000 WRITING COORDINATES TO DCD FILE MD.1.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: 7552.13, 0.0104517/step Wall: 7552.13, 0.0104517/step, 1.79943 hours remaining, 115.046875 MB of memory in use. ENERGY: 1880200 649.4853 1809.3805 1972.9735 114.2023 2.8026 -1106.7896 0.0000 0.0000 2745.0401 6187.0947 303.1973 3442.0546 6220.8068 301.8432 LDB: ============= START OF LOAD BALANCING ============== 7554.83 LDB: ============== END OF LOAD BALANCING =============== 7554.83 LDB: =============== DONE WITH MIGRATION ================ 7554.83 LDB: ============= START OF LOAD BALANCING ============== 7555.22 LDB: ============== END OF LOAD BALANCING =============== 7555.22 LDB: =============== DONE WITH MIGRATION ================ 7555.22 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: 7552.91, 0.0039115/step Wall: 7552.91, 0.0039115/step, 0.673212 hours remaining, 115.046875 MB of memory in use. ENERGY: 1880400 663.3752 1882.5145 1921.4607 97.5240 2.8506 -1091.4445 0.0000 0.0000 2714.2556 6190.5361 299.7971 3476.2805 6221.6319 299.1487 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: 7553.69, 0.00390523/step Wall: 7553.69, 0.00390523/step, 0.671917 hours remaining, 115.046875 MB of memory in use. ENERGY: 1880600 654.9857 1897.1124 1960.3060 110.6694 2.9624 -1096.3045 0.0000 0.0000 2736.6193 6266.3507 302.2672 3529.7314 6299.2326 302.0991 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: 7554.47, 0.00390679/step Wall: 7554.47, 0.00390679/step, 0.671967 hours remaining, 115.046875 MB of memory in use. ENERGY: 1880800 637.4296 1855.7518 1978.8448 114.1787 1.8945 -1102.0124 0.0000 0.0000 2739.9530 6226.0399 302.6354 3486.0870 6257.5104 301.7424 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: 7555.25, 0.00390134/step Wall: 7555.25, 0.00390134/step, 0.670813 hours remaining, 115.046875 MB of memory in use. ENERGY: 1881000 645.6997 1847.5798 1982.0962 107.5427 2.2345 -1106.2267 0.0000 0.0000 2777.6821 6256.6082 306.8027 3478.9261 6291.6494 304.7259 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: 7556.03, 0.0039047/step Wall: 7556.03, 0.0039047/step, 0.671174 hours remaining, 115.046875 MB of memory in use. ENERGY: 1881200 675.2328 1835.0122 1941.3482 108.4215 1.9809 -1066.2933 0.0000 0.0000 2736.5902 6232.2924 302.2640 3495.7022 6265.4092 305.2654 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: 7556.81, 0.00390611/step Wall: 7556.81, 0.00390611/step, 0.671201 hours remaining, 115.046875 MB of memory in use. ENERGY: 1881400 643.8140 1838.6839 1936.4893 115.6882 2.5867 -1077.1613 0.0000 0.0000 2735.4097 6195.5105 302.1336 3460.1008 6226.8640 302.2569 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: 7557.6, 0.0039121/step Wall: 7557.6, 0.0039121/step, 0.672012 hours remaining, 115.046875 MB of memory in use. ENERGY: 1881600 659.3622 1846.9825 1959.6854 120.8232 2.6837 -1100.7551 0.0000 0.0000 2716.1295 6204.9114 300.0041 3488.7819 6238.1311 300.7176 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: 7558.38, 0.003905/step Wall: 7558.38, 0.003905/step, 0.670575 hours remaining, 115.046875 MB of memory in use. ENERGY: 1881800 619.3012 1830.4643 1955.3380 99.7857 3.5912 -1077.2247 0.0000 0.0000 2708.0957 6139.3514 299.1167 3431.2557 6175.0080 298.6388 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: 7559.16, 0.00390211/step Wall: 7559.16, 0.00390211/step, 0.669861 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1882000 624.2112 1828.6531 1953.1227 103.0846 3.0330 -1066.2315 0.0000 0.0000 2696.0001 6141.8732 297.7807 3445.8731 6175.4468 297.3683 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: 7559.94, 0.00390539/step Wall: 7559.94, 0.00390539/step, 0.670208 hours remaining, 115.046875 MB of memory in use. ENERGY: 1882200 661.8370 1878.3633 1955.4085 101.9676 2.1615 -1098.6859 0.0000 0.0000 2653.7894 6154.8413 293.1184 3501.0519 6190.3587 297.2913 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: 7560.72, 0.00390655/step Wall: 7560.72, 0.00390655/step, 0.67019 hours remaining, 115.046875 MB of memory in use. ENERGY: 1882400 658.3734 1806.7917 1945.8285 107.4612 2.6360 -1067.7270 0.0000 0.0000 2702.3256 6155.6894 298.4794 3453.3638 6187.2850 296.7692 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: 7561.5, 0.00390526/step Wall: 7561.5, 0.00390526/step, 0.669751 hours remaining, 115.046875 MB of memory in use. ENERGY: 1882600 634.4617 1822.8289 1977.0201 118.4889 0.3994 -1122.8478 0.0000 0.0000 2707.1870 6137.5382 299.0163 3430.3513 6171.3699 297.0216 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: 7562.28, 0.00390466/step Wall: 7562.28, 0.00390466/step, 0.669433 hours remaining, 115.046875 MB of memory in use. ENERGY: 1882800 680.3959 1794.9760 1936.9709 98.0420 1.2403 -1078.5397 0.0000 0.0000 2705.3440 6138.4295 298.8128 3433.0855 6172.6516 297.8126 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: 7563.06, 0.00390566/step Wall: 7563.06, 0.00390566/step, 0.669388 hours remaining, 115.046875 MB of memory in use. ENERGY: 1883000 650.7704 1841.4894 2001.3294 113.7060 1.2463 -1087.5320 0.0000 0.0000 2610.4577 6131.4671 288.3323 3521.0094 6158.4173 295.0524 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: 7563.85, 0.00390615/step Wall: 7563.85, 0.00390615/step, 0.669253 hours remaining, 115.046875 MB of memory in use. ENERGY: 1883200 645.0074 1794.7613 1963.3484 103.4399 1.0003 -1106.9452 0.0000 0.0000 2742.6625 6143.2745 302.9347 3400.6120 6178.2909 295.4808 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: 7564.63, 0.00390692/step Wall: 7564.63, 0.00390692/step, 0.669169 hours remaining, 115.046875 MB of memory in use. ENERGY: 1883400 663.0079 1859.6714 1937.8122 124.9735 1.5262 -1086.1436 0.0000 0.0000 2671.0396 6171.8872 295.0238 3500.8476 6203.4431 298.1961 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: 7565.41, 0.00390617/step Wall: 7565.41, 0.00390617/step, 0.668822 hours remaining, 115.046875 MB of memory in use. ENERGY: 1883600 649.0209 1849.7863 1944.8131 112.2247 1.0892 -1099.3585 0.0000 0.0000 2677.4220 6134.9977 295.7287 3457.5756 6165.7365 297.9311 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: 7566.19, 0.00390317/step Wall: 7566.19, 0.00390317/step, 0.668093 hours remaining, 115.046875 MB of memory in use. ENERGY: 1883800 607.7128 1838.0793 1994.9445 103.2379 1.2898 -1085.3801 0.0000 0.0000 2677.3334 6137.2176 295.7189 3459.8842 6169.8193 295.8743 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: 7566.97, 0.00390918/step Wall: 7566.97, 0.00390918/step, 0.668904 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1884000 661.8701 1830.2207 1965.5937 101.0583 0.8956 -1135.3513 0.0000 0.0000 2678.7080 6102.9952 295.8708 3424.2872 6135.4063 296.0034 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: 7567.75, 0.00390814/step Wall: 7567.75, 0.00390814/step, 0.668509 hours remaining, 115.046875 MB of memory in use. ENERGY: 1884200 624.4539 1852.5078 1966.7340 110.9128 1.0219 -1109.4798 0.0000 0.0000 2646.1543 6092.3048 292.2751 3446.1505 6122.4025 294.7895 LDB: ============= START OF LOAD BALANCING ============== 7570.45 LDB: ============== END OF LOAD BALANCING =============== 7570.45 LDB: =============== DONE WITH MIGRATION ================ 7570.45 LDB: ============= START OF LOAD BALANCING ============== 7570.84 LDB: ============== END OF LOAD BALANCING =============== 7570.84 LDB: =============== DONE WITH MIGRATION ================ 7570.84 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: 7568.53, 0.00391354/step Wall: 7568.53, 0.00391354/step, 0.669216 hours remaining, 115.046875 MB of memory in use. ENERGY: 1884400 616.0432 1875.6186 1970.5713 103.9750 1.7000 -1130.7556 0.0000 0.0000 2695.9767 6133.1292 297.7781 3437.1525 6166.5659 295.6055 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: 7569.32, 0.00392205/step Wall: 7569.32, 0.00392205/step, 0.670452 hours remaining, 115.046875 MB of memory in use. ENERGY: 1884600 640.4208 1825.9078 1945.0562 98.0642 3.0412 -1078.0597 0.0000 0.0000 2703.1751 6137.6056 298.5732 3434.4305 6170.5611 296.7824 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: 7570.1, 0.00391412/step Wall: 7570.1, 0.00391412/step, 0.66888 hours remaining, 115.046875 MB of memory in use. ENERGY: 1884800 648.3871 1863.7124 1980.9353 104.5102 2.1546 -1101.8940 0.0000 0.0000 2683.6263 6181.4320 296.4140 3497.8057 6212.5942 297.0801 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: 7570.88, 0.00391192/step Wall: 7570.88, 0.00391192/step, 0.668286 hours remaining, 115.046875 MB of memory in use. ENERGY: 1885000 678.4554 1779.9100 1962.4278 105.1222 2.0231 -1064.7005 0.0000 0.0000 2727.7446 6190.9825 301.2870 3463.2379 6224.0104 298.9513 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: 7571.67, 0.00390643/step Wall: 7571.67, 0.00390643/step, 0.667132 hours remaining, 115.046875 MB of memory in use. ENERGY: 1885200 651.7676 1833.2889 1984.3474 108.1904 1.7397 -1103.3146 0.0000 0.0000 2741.2789 6217.2983 302.7819 3476.0194 6252.8761 300.7945 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: 7572.45, 0.00390873/step Wall: 7572.45, 0.00390873/step, 0.667306 hours remaining, 115.046875 MB of memory in use. ENERGY: 1885400 638.8523 1798.2257 1949.0770 120.4160 1.8674 -1054.8544 0.0000 0.0000 2755.4574 6209.0416 304.3479 3453.5842 6243.7955 301.2238 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: 7573.23, 0.00390422/step Wall: 7573.23, 0.00390423/step, 0.666322 hours remaining, 115.046875 MB of memory in use. ENERGY: 1885600 614.2501 1842.1484 1958.8149 113.6021 1.8741 -1045.4642 0.0000 0.0000 2680.0147 6165.2401 296.0151 3485.2254 6199.4316 299.5532 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: 7574.01, 0.00391073/step Wall: 7574.01, 0.00391073/step, 0.667214 hours remaining, 115.046875 MB of memory in use. ENERGY: 1885800 658.1721 1790.5718 1974.5648 114.8416 1.3786 -1090.3044 0.0000 0.0000 2665.8658 6115.0904 294.4523 3449.2245 6147.1658 298.0725 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: 7574.79, 0.00390866/step Wall: 7574.79, 0.00390866/step, 0.666644 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1886000 680.2233 1784.3723 1936.3553 111.5179 0.9532 -1093.5762 0.0000 0.0000 2742.0930 6161.9389 302.8718 3419.8459 6195.9671 297.4333 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: 7575.57, 0.00390893/step Wall: 7575.57, 0.00390893/step, 0.666473 hours remaining, 115.046875 MB of memory in use. ENERGY: 1886200 655.2217 1821.8425 1951.0210 122.4098 0.7306 -1063.3721 0.0000 0.0000 2700.9143 6188.7678 298.3235 3487.8535 6223.2114 299.7334 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: 7576.35, 0.00390545/step Wall: 7576.35, 0.00390545/step, 0.665663 hours remaining, 115.046875 MB of memory in use. ENERGY: 1886400 666.2374 1829.3185 1941.3993 116.8034 1.5139 -1100.9844 0.0000 0.0000 2813.7798 6268.0679 310.7898 3454.2881 6303.5797 302.6025 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: 7577.14, 0.00391055/step Wall: 7577.14, 0.00391055/step, 0.666313 hours remaining, 115.046875 MB of memory in use. ENERGY: 1886600 669.1778 1840.7380 1971.7752 98.4099 0.1661 -1087.1064 0.0000 0.0000 2682.2183 6175.3789 296.2585 3493.1605 6209.4939 301.6489 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: 7577.92, 0.00390977/step Wall: 7577.92, 0.00390977/step, 0.665963 hours remaining, 115.046875 MB of memory in use. ENERGY: 1886800 635.7522 1828.4052 1962.1983 111.0786 1.8383 -1087.9118 0.0000 0.0000 2725.8704 6177.2311 301.0800 3451.3606 6211.4702 300.3752 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: 7578.7, 0.00390898/step Wall: 7578.7, 0.00390898/step, 0.665612 hours remaining, 115.046875 MB of memory in use. ENERGY: 1887000 638.9432 1873.4139 1962.6849 113.1389 1.3349 -1117.3732 0.0000 0.0000 2681.4689 6153.6115 296.1757 3472.1426 6187.0527 299.1603 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: 7579.48, 0.00390869/step Wall: 7579.48, 0.00390869/step, 0.665347 hours remaining, 115.046875 MB of memory in use. ENERGY: 1887200 680.8781 1839.1771 1957.5610 104.3159 1.4548 -1113.1841 0.0000 0.0000 2712.6825 6182.8854 299.6233 3470.2028 6217.7556 299.8301 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: 7580.26, 0.0039017/step Wall: 7580.26, 0.0039017/step, 0.663939 hours remaining, 115.046875 MB of memory in use. ENERGY: 1887400 646.3719 1860.5832 1965.9570 96.4111 1.1979 -1079.8228 0.0000 0.0000 2718.2808 6208.9792 300.2417 3490.6984 6244.7587 300.2812 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: 7581.04, 0.00390648/step Wall: 7581.04, 0.00390648/step, 0.664536 hours remaining, 115.046875 MB of memory in use. ENERGY: 1887600 683.0786 1805.8464 1962.1994 104.5617 1.9466 -1130.0163 0.0000 0.0000 2726.4489 6154.0652 301.1439 3427.6164 6189.3542 300.3167 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: 7581.83, 0.00390525/step Wall: 7581.83, 0.00390525/step, 0.66411 hours remaining, 115.046875 MB of memory in use. ENERGY: 1887800 621.6225 1853.6339 1942.2641 108.6584 0.4439 -1096.3748 0.0000 0.0000 2748.6700 6178.9180 303.5983 3430.2480 6213.2805 299.1985 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: 7582.61, 0.00390621/step Wall: 7582.61, 0.00390621/step, 0.664055 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1888000 668.4558 1842.7761 1967.9840 119.2839 1.7434 -1119.8433 0.0000 0.0000 2680.1151 6160.5151 296.0262 3480.4000 6190.1228 298.5136 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: 7583.39, 0.00390177/step Wall: 7583.39, 0.00390177/step, 0.663085 hours remaining, 115.046875 MB of memory in use. ENERGY: 1888200 665.9054 1882.4781 1941.3015 122.0014 1.4771 -1070.9817 0.0000 0.0000 2622.7723 6164.9541 289.6925 3542.1817 6196.6909 299.2658 LDB: ============= START OF LOAD BALANCING ============== 7586.09 LDB: ============== END OF LOAD BALANCING =============== 7586.09 LDB: =============== DONE WITH MIGRATION ================ 7586.09 LDB: ============= START OF LOAD BALANCING ============== 7586.48 LDB: ============== END OF LOAD BALANCING =============== 7586.48 LDB: =============== DONE WITH MIGRATION ================ 7586.48 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: 7584.17, 0.0039119/step Wall: 7584.17, 0.0039119/step, 0.664589 hours remaining, 115.046875 MB of memory in use. ENERGY: 1888400 664.7567 1865.9485 1951.2616 100.7367 0.5508 -1097.2696 0.0000 0.0000 2674.3578 6160.3425 295.3903 3485.9847 6193.2182 297.5050 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: 7584.95, 0.00390945/step Wall: 7584.95, 0.00390945/step, 0.663955 hours remaining, 115.046875 MB of memory in use. ENERGY: 1888600 649.8111 1856.9522 1937.7437 102.9574 1.9644 -1093.4495 0.0000 0.0000 2721.4323 6177.4117 300.5898 3455.9794 6212.1438 298.8826 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: 7585.73, 0.00390916/step Wall: 7585.73, 0.00390916/step, 0.663688 hours remaining, 115.046875 MB of memory in use. ENERGY: 1888800 645.4445 1862.0495 1927.3673 106.3650 1.0296 -1113.4133 0.0000 0.0000 2712.3813 6141.2239 299.5901 3428.8426 6175.7795 298.5294 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: 7586.51, 0.00390823/step Wall: 7586.51, 0.00390822/step, 0.663312 hours remaining, 115.046875 MB of memory in use. ENERGY: 1889000 698.9399 1788.9727 1939.9766 105.0215 0.6633 -1092.2606 0.0000 0.0000 2674.7145 6116.0278 295.4297 3441.3134 6149.0591 296.2287 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: 7587.3, 0.00390504/step Wall: 7587.3, 0.00390505/step, 0.662556 hours remaining, 115.046875 MB of memory in use. ENERGY: 1889200 644.5549 1793.9266 1946.2832 113.8488 1.4998 -1064.3253 0.0000 0.0000 2664.0668 6099.8548 294.2536 3435.7880 6133.5438 296.0449 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: 7588.08, 0.00390841/step Wall: 7588.08, 0.00390841/step, 0.66291 hours remaining, 115.046875 MB of memory in use. ENERGY: 1889400 631.2400 1875.4016 1937.2916 105.1586 2.1780 -1106.4420 0.0000 0.0000 2650.1133 6094.9411 292.7124 3444.8278 6124.8063 294.3298 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: 7588.86, 0.00390956/step Wall: 7588.86, 0.00390956/step, 0.662888 hours remaining, 115.046875 MB of memory in use. ENERGY: 1889600 655.3787 1843.7582 1925.0275 111.3621 2.5278 -1078.3953 0.0000 0.0000 2685.9568 6145.6156 296.6714 3459.6589 6178.2578 295.6513 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: 7589.64, 0.00390878/step Wall: 7589.64, 0.00390878/step, 0.662538 hours remaining, 115.046875 MB of memory in use. ENERGY: 1889800 623.1035 1822.9927 1935.2594 100.9817 1.6555 -1091.1020 0.0000 0.0000 2709.6951 6102.5860 299.2934 3392.8909 6135.7875 295.9711 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: 7590.42, 0.00390595/step Wall: 7590.42, 0.00390595/step, 0.661841 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1890000 665.1875 1868.9315 1929.2156 105.4142 1.3327 -1134.5253 0.0000 0.0000 2679.0729 6114.6291 295.9111 3435.5562 6146.2397 294.9457 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1890000 WRITING COORDINATES TO DCD FILE MD.1.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: 7592.6, 0.0108803/step Wall: 7592.6, 0.0108803/step, 1.843 hours remaining, 115.046875 MB of memory in use. ENERGY: 1890200 674.5533 1811.8075 1931.3148 110.2571 1.2261 -1127.9114 0.0000 0.0000 2661.3423 6062.5897 293.9527 3401.2474 6093.7969 294.1977 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: 7593.38, 0.00390402/step Wall: 7593.38, 0.00390402/step, 0.661081 hours remaining, 115.046875 MB of memory in use. ENERGY: 1890400 659.2849 1828.5806 1952.2844 110.4244 2.3271 -1078.5731 0.0000 0.0000 2601.2688 6075.5971 287.3174 3474.3283 6105.2256 293.7373 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: 7594.16, 0.00390985/step Wall: 7594.16, 0.00390985/step, 0.661852 hours remaining, 115.046875 MB of memory in use. ENERGY: 1890600 637.3636 1847.3600 1972.0963 109.4300 1.7584 -1096.5526 0.0000 0.0000 2653.4501 6124.9057 293.0810 3471.4556 6157.7535 295.2158 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: 7594.94, 0.00390887/step Wall: 7594.94, 0.00390887/step, 0.661468 hours remaining, 115.046875 MB of memory in use. ENERGY: 1890800 641.9551 1825.9063 1967.5664 107.4356 2.6010 -1095.4528 0.0000 0.0000 2671.0267 6121.0383 295.0223 3450.0116 6154.5343 296.1903 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: 7595.72, 0.00390857/step Wall: 7595.72, 0.00390857/step, 0.6612 hours remaining, 115.046875 MB of memory in use. ENERGY: 1891000 640.3987 1793.6246 1954.5120 100.6137 2.2581 -1111.6361 0.0000 0.0000 2745.2592 6125.0302 303.2215 3379.7709 6158.6541 297.0150 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: 7596.51, 0.00390883/step Wall: 7596.51, 0.00390883/step, 0.661027 hours remaining, 115.046875 MB of memory in use. ENERGY: 1891200 644.2803 1845.9937 1958.0743 100.9353 1.8620 -1115.9603 0.0000 0.0000 2691.7369 6126.9222 297.3098 3435.1853 6159.7346 297.0721 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: 7597.29, 0.00390218/step Wall: 7597.29, 0.00390218/step, 0.659684 hours remaining, 115.046875 MB of memory in use. ENERGY: 1891400 643.2499 1853.4781 1971.3948 109.3308 0.3786 -1129.5740 0.0000 0.0000 2727.6706 6175.9287 301.2788 3448.2581 6210.5496 298.7588 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: 7598.07, 0.00391472/step Wall: 7598.07, 0.00391472/step, 0.661587 hours remaining, 115.046875 MB of memory in use. ENERGY: 1891600 651.3923 1896.3176 1939.0348 114.6002 2.0401 -1094.7416 0.0000 0.0000 2670.6521 6179.2956 294.9810 3508.6434 6210.3509 300.1375 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: 7598.85, 0.00390808/step Wall: 7598.85, 0.00390808/step, 0.660249 hours remaining, 115.046875 MB of memory in use. ENERGY: 1891800 667.7766 1860.1628 1926.2566 103.0763 1.4291 -1107.0052 0.0000 0.0000 2707.7193 6159.4156 299.0751 3451.6963 6189.8212 300.1276 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: 7599.63, 0.00390826/step Wall: 7599.63, 0.00390826/step, 0.660062 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1892000 657.3193 1828.6279 1944.1864 118.3713 1.5570 -1060.7118 0.0000 0.0000 2697.3076 6186.6577 297.9251 3489.3501 6220.2107 300.1852 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: 7600.41, 0.0039023/step Wall: 7600.41, 0.0039023/step, 0.658838 hours remaining, 115.046875 MB of memory in use. ENERGY: 1892200 638.9958 1831.8145 1958.7262 122.6292 0.8336 -1108.0833 0.0000 0.0000 2723.1807 6168.0966 300.7829 3444.9160 6202.4778 300.1432 LDB: ============= START OF LOAD BALANCING ============== 7603.11 LDB: ============== END OF LOAD BALANCING =============== 7603.11 LDB: =============== DONE WITH MIGRATION ================ 7603.11 LDB: ============= START OF LOAD BALANCING ============== 7603.5 LDB: ============== END OF LOAD BALANCING =============== 7603.5 LDB: =============== DONE WITH MIGRATION ================ 7603.5 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: 7601.2, 0.00391062/step Wall: 7601.2, 0.00391062/step, 0.660026 hours remaining, 115.046875 MB of memory in use. ENERGY: 1892400 688.1911 1842.6645 1929.0577 93.8666 2.4947 -1064.4355 0.0000 0.0000 2722.7129 6214.5520 300.7312 3491.8391 6246.2870 300.8387 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: 7601.98, 0.00390625/step Wall: 7601.98, 0.00390625/step, 0.659071 hours remaining, 115.046875 MB of memory in use. ENERGY: 1892600 690.3482 1836.5906 1956.5636 113.8978 2.4958 -1110.0249 0.0000 0.0000 2732.0259 6221.8971 301.7599 3489.8711 6256.9062 301.1459 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: 7602.76, 0.003907/step Wall: 7602.76, 0.003907/step, 0.658981 hours remaining, 115.046875 MB of memory in use. ENERGY: 1892800 637.3674 1818.0643 1953.5169 109.5983 1.4169 -1078.7549 0.0000 0.0000 2793.8954 6235.1043 308.5935 3441.2089 6271.9543 301.7283 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: 7603.54, 0.00390614/step Wall: 7603.54, 0.00390614/step, 0.658619 hours remaining, 115.046875 MB of memory in use. ENERGY: 1893000 680.8313 1852.1920 1950.5254 120.7509 2.8482 -1059.5906 0.0000 0.0000 2709.3382 6256.8955 299.2540 3547.5572 6288.9269 302.5328 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: 7604.32, 0.00390068/step Wall: 7604.32, 0.00390068/step, 0.657481 hours remaining, 115.046875 MB of memory in use. ENERGY: 1893200 644.9101 1884.6540 1948.4295 110.1794 2.7817 -1086.4156 0.0000 0.0000 2725.0184 6229.5576 300.9859 3504.5392 6264.1701 301.1249 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: 7605.1, 0.00390627/step Wall: 7605.1, 0.00390627/step, 0.658207 hours remaining, 115.046875 MB of memory in use. ENERGY: 1893400 683.0567 1911.7391 1930.6230 106.2836 1.0734 -1059.2583 0.0000 0.0000 2633.3235 6206.8410 290.8579 3573.5176 6234.1349 301.3193 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: 7605.88, 0.003907/step Wall: 7605.88, 0.003907/step, 0.658113 hours remaining, 115.046875 MB of memory in use. ENERGY: 1893600 648.9786 1823.8929 1955.0329 107.5771 1.3071 -1058.0608 0.0000 0.0000 2673.8025 6152.5303 295.3289 3478.7278 6184.3926 300.1334 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: 7606.66, 0.00390817/step Wall: 7606.66, 0.00390817/step, 0.658092 hours remaining, 115.046875 MB of memory in use. ENERGY: 1893800 622.1904 1897.4604 1944.9491 107.3857 1.7053 -1096.4196 0.0000 0.0000 2713.3559 6190.6272 299.6977 3477.2714 6222.3306 299.1328 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: 7607.44, 0.00390156/step Wall: 7607.44, 0.00390156/step, 0.656763 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1894000 677.0061 1858.4922 1914.4175 100.7388 0.0955 -1101.9793 0.0000 0.0000 2754.5581 6203.3290 304.2486 3448.7709 6238.0115 300.4023 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: 7608.23, 0.00390847/step Wall: 7608.23, 0.00390847/step, 0.657709 hours remaining, 115.046875 MB of memory in use. ENERGY: 1894200 665.7286 1841.6342 1967.2253 116.8218 1.3922 -1132.0001 0.0000 0.0000 2715.1900 6175.9920 299.9003 3460.8020 6211.8910 300.3738 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: 7609.01, 0.00390949/step Wall: 7609.01, 0.00390949/step, 0.657663 hours remaining, 115.046875 MB of memory in use. ENERGY: 1894400 648.5228 1842.7319 1966.4711 107.2149 1.9520 -1124.0621 0.0000 0.0000 2720.5129 6163.3434 300.4882 3442.8306 6196.3269 299.3596 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: 7609.79, 0.00390804/step Wall: 7609.79, 0.00390804/step, 0.657203 hours remaining, 115.046875 MB of memory in use. ENERGY: 1894600 632.2089 1848.8158 1930.6300 113.1592 2.0101 -1078.0130 0.0000 0.0000 2715.0031 6163.8142 299.8797 3448.8111 6198.8466 300.0657 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: 7610.57, 0.00390746/step Wall: 7610.57, 0.00390746/step, 0.656887 hours remaining, 115.046875 MB of memory in use. ENERGY: 1894800 623.5410 1822.1974 1974.0164 106.6175 0.5123 -1083.8849 0.0000 0.0000 2698.4351 6141.4349 298.0497 3442.9997 6175.1034 298.7303 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: 7611.35, 0.00390226/step Wall: 7611.35, 0.00390226/step, 0.655796 hours remaining, 115.046875 MB of memory in use. ENERGY: 1895000 664.7258 1818.2765 1939.4244 109.8625 1.1373 -1078.7545 0.0000 0.0000 2689.1380 6143.8099 297.0228 3454.6720 6175.8695 296.3978 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: 7612.13, 0.00390764/step Wall: 7612.13, 0.00390764/step, 0.656483 hours remaining, 115.046875 MB of memory in use. ENERGY: 1895200 663.1029 1852.8270 1955.0130 108.9271 1.6042 -1131.3027 0.0000 0.0000 2702.8761 6153.0475 298.5402 3450.1714 6187.3454 299.0395 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: 7612.92, 0.00391137/step Wall: 7612.92, 0.00391137/step, 0.656892 hours remaining, 115.046875 MB of memory in use. ENERGY: 1895400 665.0923 1812.4045 1947.4603 110.0713 0.9050 -1100.6133 0.0000 0.0000 2716.6934 6152.0134 300.0663 3435.3201 6184.4366 298.8417 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: 7613.7, 0.0039079/step Wall: 7613.7, 0.0039079/step, 0.656092 hours remaining, 115.046875 MB of memory in use. ENERGY: 1895600 638.2476 1788.0001 1965.3769 109.4476 1.8646 -1114.2828 0.0000 0.0000 2707.0196 6095.6737 298.9979 3388.6540 6131.7170 298.2715 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: 7614.48, 0.00390419/step Wall: 7614.48, 0.00390419/step, 0.655252 hours remaining, 115.046875 MB of memory in use. ENERGY: 1895800 625.4634 1831.8601 1951.4999 109.0258 0.8802 -1064.7925 0.0000 0.0000 2703.3768 6157.3136 298.5955 3453.9368 6194.4248 296.4453 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: 7615.26, 0.0039099/step Wall: 7615.26, 0.0039099/step, 0.655995 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1896000 632.1689 1783.6098 1951.3628 117.3545 1.4027 -1097.6125 0.0000 0.0000 2700.9787 6089.2648 298.3306 3388.2862 6125.7037 296.4937 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: 7616.04, 0.00390943/step Wall: 7616.04, 0.00390943/step, 0.655698 hours remaining, 115.046875 MB of memory in use. ENERGY: 1896200 636.6360 1807.5175 1965.7991 102.6890 3.4252 -1089.9652 0.0000 0.0000 2683.3586 6109.4603 296.3844 3426.1016 6141.8609 295.1160 LDB: ============= START OF LOAD BALANCING ============== 7618.74 LDB: ============== END OF LOAD BALANCING =============== 7618.74 LDB: =============== DONE WITH MIGRATION ================ 7618.74 LDB: ============= START OF LOAD BALANCING ============== 7619.13 LDB: ============== END OF LOAD BALANCING =============== 7619.13 LDB: =============== DONE WITH MIGRATION ================ 7619.13 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: 7616.82, 0.00391641/step Wall: 7616.82, 0.00391641/step, 0.656651 hours remaining, 115.046875 MB of memory in use. ENERGY: 1896400 667.9414 1851.7958 1954.8796 100.8289 1.1486 -1113.6004 0.0000 0.0000 2704.2489 6167.2428 298.6918 3462.9939 6199.2378 297.3391 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: 7617.61, 0.00391238/step Wall: 7617.61, 0.00391238/step, 0.655759 hours remaining, 115.046875 MB of memory in use. ENERGY: 1896600 660.1999 1795.4906 1964.3535 109.4606 2.0406 -1106.2075 0.0000 0.0000 2728.3472 6153.6849 301.3536 3425.3377 6184.1082 299.2080 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: 7618.39, 0.00390632/step Wall: 7618.39, 0.00390632/step, 0.654525 hours remaining, 115.046875 MB of memory in use. ENERGY: 1896800 679.3812 1818.9461 1962.4003 118.1935 1.2714 -1081.1822 0.0000 0.0000 2678.7075 6177.7178 295.8707 3499.0104 6210.7644 299.2860 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: 7619.17, 0.00390924/step Wall: 7619.17, 0.00390924/step, 0.654797 hours remaining, 115.046875 MB of memory in use. ENERGY: 1897000 661.0017 1849.4313 1964.7641 114.3501 1.8556 -1109.5117 0.0000 0.0000 2671.5165 6153.4077 295.0764 3481.8912 6183.8051 299.6685 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: 7619.95, 0.00390968/step Wall: 7619.95, 0.00390968/step, 0.654655 hours remaining, 115.046875 MB of memory in use. ENERGY: 1897200 666.7333 1852.1364 1948.9297 121.3823 1.5941 -1100.7201 0.0000 0.0000 2681.5753 6171.6309 296.1875 3490.0556 6204.9675 299.2126 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: 7620.73, 0.00390853/step Wall: 7620.73, 0.00390853/step, 0.654244 hours remaining, 115.046875 MB of memory in use. ENERGY: 1897400 653.1925 1878.5840 1938.6561 119.4095 1.7333 -1104.5660 0.0000 0.0000 2700.8498 6187.8592 298.3164 3487.0095 6219.1399 299.6737 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: 7621.52, 0.00391029/step Wall: 7621.52, 0.00391029/step, 0.654323 hours remaining, 115.046875 MB of memory in use. ENERGY: 1897600 646.8464 1828.2381 1970.3320 98.2905 2.4444 -1090.4072 0.0000 0.0000 2680.7545 6136.4987 296.0968 3455.7442 6170.1952 298.3879 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: 7622.3, 0.00390149/step Wall: 7622.3, 0.00390149/step, 0.652633 hours remaining, 115.046875 MB of memory in use. ENERGY: 1897800 648.2997 1830.8523 1966.2743 101.8685 1.4599 -1093.8781 0.0000 0.0000 2748.4955 6203.3721 303.5790 3454.8766 6237.1431 298.5871 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: 7623.08, 0.00391005/step Wall: 7623.08, 0.00391005/step, 0.653847 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1898000 670.5115 1811.9280 1951.7117 109.1342 3.1168 -1085.0687 0.0000 0.0000 2697.1002 6158.4336 297.9022 3461.3334 6192.6019 300.3988 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: 7623.86, 0.00390916/step Wall: 7623.86, 0.00390916/step, 0.65348 hours remaining, 115.046875 MB of memory in use. ENERGY: 1898200 662.4782 1835.3012 1933.1437 100.2011 1.3759 -1098.6515 0.0000 0.0000 2752.0492 6185.8979 303.9715 3433.8486 6220.3604 299.7060 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: 7624.64, 0.00390918/step Wall: 7624.64, 0.00390918/step, 0.653268 hours remaining, 115.046875 MB of memory in use. ENERGY: 1898400 669.2583 1832.6358 1937.8290 106.4301 1.1963 -1089.3707 0.0000 0.0000 2667.0706 6125.0494 294.5854 3457.9788 6156.7540 297.7065 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: 7625.42, 0.00390263/step Wall: 7625.42, 0.00390263/step, 0.651957 hours remaining, 115.046875 MB of memory in use. ENERGY: 1898600 627.0139 1843.7590 1938.5733 108.8379 1.8877 -1104.3070 0.0000 0.0000 2717.8037 6133.5685 300.1890 3415.7649 6166.3701 297.4355 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: 7626.2, 0.00390825/step Wall: 7626.2, 0.00390825/step, 0.652678 hours remaining, 115.046875 MB of memory in use. ENERGY: 1898800 615.7638 1852.1160 1947.3604 97.3412 1.7805 -1103.0837 0.0000 0.0000 2748.4963 6159.7744 303.5791 3411.2782 6193.5939 298.2754 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: 7626.99, 0.00390988/step Wall: 7626.99, 0.00390988/step, 0.652734 hours remaining, 115.046875 MB of memory in use. ENERGY: 1899000 699.3285 1855.7014 1953.2128 120.0931 1.2454 -1100.8978 0.0000 0.0000 2714.0255 6242.7089 299.7717 3528.6834 6271.1839 300.1851 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: 7627.77, 0.00390934/step Wall: 7627.77, 0.00390934/step, 0.652425 hours remaining, 115.046875 MB of memory in use. ENERGY: 1899200 690.7059 1878.2006 1937.9143 105.8421 0.2488 -1084.7787 0.0000 0.0000 2699.8115 6227.9447 298.2017 3528.1331 6260.3753 302.0198 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: 7628.55, 0.00390895/step Wall: 7628.55, 0.00390895/step, 0.652144 hours remaining, 115.046875 MB of memory in use. ENERGY: 1899400 659.2266 1883.3321 1939.5795 98.7640 0.9775 -1121.4534 0.0000 0.0000 2712.8135 6173.2398 299.6378 3460.4264 6207.2719 300.7872 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: 7629.33, 0.0039168/step Wall: 7629.33, 0.0039168/step, 0.653234 hours remaining, 115.046875 MB of memory in use. ENERGY: 1899600 666.2756 1868.5632 1957.6930 115.4212 1.5587 -1064.7193 0.0000 0.0000 2720.8172 6265.6097 300.5218 3544.7925 6297.4430 301.4219 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: 7630.12, 0.00391358/step Wall: 7630.12, 0.00391358/step, 0.652482 hours remaining, 115.046875 MB of memory in use. ENERGY: 1899800 657.3006 1868.6201 1960.1180 106.6797 0.7895 -1112.3833 0.0000 0.0000 2777.8098 6258.9344 306.8168 3481.1246 6297.8155 304.0495 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: 7630.9, 0.00391683/step Wall: 7630.9, 0.00391683/step, 0.652805 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1900000 690.0314 1862.0091 1929.9541 110.9464 1.5360 -1093.1101 0.0000 0.0000 2712.2035 6213.5704 299.5704 3501.3669 6247.1402 302.2692 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1900000 WRITING COORDINATES TO DCD FILE MD.1.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: 7631.76, 0.00432618/step Wall: 7631.76, 0.00432618/step, 0.72079 hours remaining, 115.046875 MB of memory in use. ENERGY: 1900200 637.9984 1841.4085 1949.2693 108.9969 1.5157 -1092.2345 0.0000 0.0000 2729.5253 6176.4797 301.4837 3446.9544 6210.4454 300.7848 LDB: ============= START OF LOAD BALANCING ============== 7634.46 LDB: ============== END OF LOAD BALANCING =============== 7634.46 LDB: =============== DONE WITH MIGRATION ================ 7634.46 LDB: ============= START OF LOAD BALANCING ============== 7634.86 LDB: ============== END OF LOAD BALANCING =============== 7634.86 LDB: =============== DONE WITH MIGRATION ================ 7634.86 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: 7632.55, 0.00391607/step Wall: 7632.55, 0.00391607/step, 0.652243 hours remaining, 115.046875 MB of memory in use. ENERGY: 1900400 639.2134 1799.3156 1929.3325 109.9066 0.2391 -1056.4268 0.0000 0.0000 2726.7973 6148.3777 301.1824 3421.5804 6185.2600 298.7915 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: 7633.33, 0.00390543/step Wall: 7633.33, 0.00390543/step, 0.650253 hours remaining, 115.046875 MB of memory in use. ENERGY: 1900600 637.5285 1904.6700 1960.9457 103.9521 0.6154 -1074.9593 0.0000 0.0000 2681.5800 6214.3324 296.1880 3532.7524 6246.5001 298.5625 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: 7634.11, 0.00391183/step Wall: 7634.11, 0.00391183/step, 0.651103 hours remaining, 115.046875 MB of memory in use. ENERGY: 1900800 638.6041 1871.0674 1911.5250 105.6912 1.0387 -1084.2231 0.0000 0.0000 2748.9225 6192.6258 303.6262 3443.7033 6228.9288 300.8660 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: 7634.89, 0.00391278/step Wall: 7634.89, 0.00391278/step, 0.651043 hours remaining, 115.046875 MB of memory in use. ENERGY: 1901000 679.1917 1827.1897 1948.2574 98.3353 0.5294 -1077.3355 0.0000 0.0000 2756.9216 6233.0896 304.5097 3476.1680 6269.0340 301.0001 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: 7635.68, 0.0039096/step Wall: 7635.68, 0.0039096/step, 0.650298 hours remaining, 115.046875 MB of memory in use. ENERGY: 1901200 697.9839 1856.3272 1956.0045 115.5924 1.8253 -1113.6611 0.0000 0.0000 2720.0661 6234.1383 300.4389 3514.0722 6266.8362 303.1022 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: 7636.46, 0.0039046/step Wall: 7636.46, 0.0039046/step, 0.649249 hours remaining, 115.046875 MB of memory in use. ENERGY: 1901400 673.7183 1813.8147 1953.2430 107.5002 1.0354 -1085.0696 0.0000 0.0000 2769.6944 6233.9365 305.9205 3464.2421 6268.6868 302.2912 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: 7637.24, 0.00390853/step Wall: 7637.24, 0.00390853/step, 0.649684 hours remaining, 115.046875 MB of memory in use. ENERGY: 1901600 645.6665 1798.6633 1991.8514 98.6106 0.9036 -1099.6035 0.0000 0.0000 2764.7811 6200.8729 305.3778 3436.0918 6236.1348 303.0369 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: 7638.02, 0.00392579/step Wall: 7638.02, 0.00392579/step, 0.652335 hours remaining, 115.046875 MB of memory in use. ENERGY: 1901800 676.1837 1847.8702 1943.4606 110.2408 1.3730 -1105.8542 0.0000 0.0000 2735.5234 6208.7974 302.1462 3473.2741 6240.0540 300.5703 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: 7638.81, 0.00391024/step Wall: 7638.81, 0.00391024/step, 0.649534 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1902000 622.0628 1837.3484 1962.2108 119.5182 1.4228 -1104.5932 0.0000 0.0000 2730.8090 6168.7787 301.6255 3437.9697 6203.7877 302.1872 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: 7639.59, 0.00390987/step Wall: 7639.59, 0.00390987/step, 0.649256 hours remaining, 115.046875 MB of memory in use. ENERGY: 1902200 653.3910 1824.2235 1979.0855 113.4995 1.9386 -1093.1965 0.0000 0.0000 2717.7298 6196.6714 300.1808 3478.9416 6229.9373 297.2069 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: 7640.37, 0.00390501/step Wall: 7640.37, 0.00390501/step, 0.648232 hours remaining, 115.046875 MB of memory in use. ENERGY: 1902400 689.8235 1831.1124 1983.8612 116.0692 1.1298 -1094.1467 0.0000 0.0000 2631.3783 6159.2278 290.6431 3527.8495 6190.0648 299.1974 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: 7641.15, 0.00390999/step Wall: 7641.15, 0.00390999/step, 0.648841 hours remaining, 115.046875 MB of memory in use. ENERGY: 1902600 661.0558 1807.7610 1948.1301 101.7568 1.5464 -1063.6458 0.0000 0.0000 2710.3899 6166.9942 299.3701 3456.6043 6199.2218 298.2012 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: 7641.93, 0.0039098/step Wall: 7641.93, 0.0039098/step, 0.648592 hours remaining, 115.046875 MB of memory in use. ENERGY: 1902800 636.0763 1821.6532 1931.3768 118.7902 1.9569 -1112.9917 0.0000 0.0000 2696.1191 6092.9808 297.7939 3396.8617 6125.7754 297.0386 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: 7642.71, 0.00391063/step Wall: 7642.71, 0.00391063/step, 0.648513 hours remaining, 115.046875 MB of memory in use. ENERGY: 1903000 606.4367 1820.5743 1941.3734 99.3957 1.5616 -1065.1635 0.0000 0.0000 2719.8190 6123.9972 300.4116 3404.1782 6155.6705 295.5893 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: 7643.5, 0.00390396/step Wall: 7643.5, 0.00390396/step, 0.647189 hours remaining, 115.046875 MB of memory in use. ENERGY: 1903200 641.8181 1789.2723 1977.3640 121.0248 1.5018 -1086.7339 0.0000 0.0000 2716.2454 6160.4925 300.0169 3444.2471 6195.7681 297.1268 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: 7644.28, 0.00390728/step Wall: 7644.28, 0.00390728/step, 0.647523 hours remaining, 115.046875 MB of memory in use. ENERGY: 1903400 662.0439 1818.1866 1995.1063 103.4123 3.5060 -1097.0353 0.0000 0.0000 2711.5891 6196.8090 299.5026 3485.2199 6233.3242 298.5002 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: 7645.06, 0.00391091/step Wall: 7645.06, 0.00391091/step, 0.647907 hours remaining, 115.046875 MB of memory in use. ENERGY: 1903600 669.9368 1805.8272 1980.1829 120.3206 2.8801 -1096.9441 0.0000 0.0000 2723.7652 6205.9688 300.8475 3482.2035 6238.6003 298.1901 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: 7645.84, 0.00390916/step Wall: 7645.84, 0.00390916/step, 0.6474 hours remaining, 115.046875 MB of memory in use. ENERGY: 1903800 619.1068 1831.8856 1969.6755 112.7921 1.4708 -1052.7520 0.0000 0.0000 2701.8911 6184.0698 298.4314 3482.1788 6217.0096 300.4349 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: 7646.62, 0.00391062/step Wall: 7646.62, 0.00391062/step, 0.647426 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1904000 629.3921 1819.8073 1951.8678 100.0789 3.5070 -1055.3026 0.0000 0.0000 2685.0582 6134.4087 296.5722 3449.3505 6169.5322 296.3133 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: 7647.4, 0.00390456/step Wall: 7647.4, 0.00390456/step, 0.646205 hours remaining, 115.046875 MB of memory in use. ENERGY: 1904200 687.1720 1800.0355 1961.5741 108.2128 2.1788 -1112.7341 0.0000 0.0000 2705.8032 6152.2423 298.8635 3446.4391 6188.8542 296.1336 LDB: ============= START OF LOAD BALANCING ============== 7650.1 LDB: ============== END OF LOAD BALANCING =============== 7650.1 LDB: =============== DONE WITH MIGRATION ================ 7650.1 LDB: ============= START OF LOAD BALANCING ============== 7650.5 LDB: ============== END OF LOAD BALANCING =============== 7650.5 LDB: =============== DONE WITH MIGRATION ================ 7650.5 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: 7648.19, 0.00391248/step Wall: 7648.19, 0.00391248/step, 0.647297 hours remaining, 115.046875 MB of memory in use. ENERGY: 1904400 650.2727 1857.4624 1980.1234 113.7515 2.6547 -1122.1392 0.0000 0.0000 2723.6646 6205.7902 300.8363 3482.1255 6239.3291 298.6261 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: 7648.97, 0.00391212/step Wall: 7648.97, 0.00391212/step, 0.647022 hours remaining, 115.046875 MB of memory in use. ENERGY: 1904600 674.4732 1857.7118 1966.8853 103.5195 2.1205 -1086.7588 0.0000 0.0000 2671.7111 6189.6626 295.0979 3517.9515 6220.4018 301.0873 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: 7649.75, 0.00390702/step Wall: 7649.75, 0.00390702/step, 0.645961 hours remaining, 115.046875 MB of memory in use. ENERGY: 1904800 658.2105 1830.0742 1975.0746 113.3349 1.3543 -1081.7259 0.0000 0.0000 2677.5442 6173.8668 295.7422 3496.3226 6207.7614 297.8629 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: 7650.53, 0.00390167/step Wall: 7650.53, 0.00390167/step, 0.644859 hours remaining, 115.046875 MB of memory in use. ENERGY: 1905000 656.9397 1812.4864 1955.8903 116.4212 1.4589 -1088.6098 0.0000 0.0000 2722.0219 6176.6087 300.6549 3454.5867 6208.7609 299.9140 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: 7651.31, 0.00390646/step Wall: 7651.31, 0.00390646/step, 0.645433 hours remaining, 115.046875 MB of memory in use. ENERGY: 1905200 664.8856 1813.5803 1980.4492 106.7676 2.6629 -1132.9014 0.0000 0.0000 2691.6526 6127.0967 297.3005 3435.4441 6158.1135 297.2755 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: 7652.09, 0.00390821/step Wall: 7652.09, 0.00390821/step, 0.645505 hours remaining, 115.046875 MB of memory in use. ENERGY: 1905400 654.7344 1820.7303 1985.2182 116.4844 1.1171 -1100.7442 0.0000 0.0000 2677.2674 6154.8075 295.7116 3477.5401 6185.9071 297.0804 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: 7652.88, 0.00390969/step Wall: 7652.88, 0.0039097/step, 0.645534 hours remaining, 115.046875 MB of memory in use. ENERGY: 1905600 638.8707 1851.1144 1972.0691 115.2808 0.6438 -1142.2445 0.0000 0.0000 2708.7126 6144.4468 299.1849 3435.7342 6179.4785 297.8573 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: 7653.66, 0.00391008/step Wall: 7653.66, 0.00391008/step, 0.645381 hours remaining, 115.046875 MB of memory in use. ENERGY: 1905800 672.7383 1813.6192 1971.4972 108.6074 0.5776 -1093.3026 0.0000 0.0000 2667.0408 6140.7779 294.5821 3473.7371 6172.1588 297.3907 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: 7654.44, 0.00390746/step Wall: 7654.44, 0.00390746/step, 0.644732 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1906000 667.8798 1835.8698 1948.5888 102.8769 0.7295 -1096.8246 0.0000 0.0000 2691.5341 6150.6544 297.2874 3459.1203 6183.9763 298.3501 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: 7655.22, 0.00390923/step Wall: 7655.22, 0.00390923/step, 0.644806 hours remaining, 115.046875 MB of memory in use. ENERGY: 1906200 665.6112 1850.8674 1956.4883 109.3778 -0.0165 -1087.7430 0.0000 0.0000 2744.7808 6239.3661 303.1687 3494.5853 6272.1185 300.2082 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: 7656, 0.0039132/step Wall: 7656, 0.0039132/step, 0.645242 hours remaining, 115.046875 MB of memory in use. ENERGY: 1906400 662.6708 1808.4899 1968.0391 123.7392 -0.0934 -1055.8835 0.0000 0.0000 2720.7946 6227.7566 300.5193 3506.9620 6260.6199 302.2086 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: 7656.79, 0.00391111/step Wall: 7656.79, 0.00391111/step, 0.644681 hours remaining, 115.046875 MB of memory in use. ENERGY: 1906600 646.9197 1861.1992 1948.9711 106.6432 1.3585 -1103.0199 0.0000 0.0000 2753.4805 6215.5522 304.1296 3462.0717 6248.7961 302.6122 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: 7657.57, 0.00390885/step Wall: 7657.57, 0.00390885/step, 0.644092 hours remaining, 115.046875 MB of memory in use. ENERGY: 1906800 657.7464 1881.1664 1984.9770 97.4161 2.2239 -1110.4305 0.0000 0.0000 2697.5513 6210.6507 297.9521 3513.0993 6242.4667 300.9096 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: 7658.35, 0.00390856/step Wall: 7658.35, 0.00390856/step, 0.643827 hours remaining, 115.046875 MB of memory in use. ENERGY: 1907000 696.6706 1854.0768 1964.9603 101.2868 0.9932 -1141.7353 0.0000 0.0000 2741.8290 6218.0814 302.8426 3476.2524 6251.4990 302.1286 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: 7659.13, 0.00391002/step Wall: 7659.13, 0.00391002/step, 0.64385 hours remaining, 115.046875 MB of memory in use. ENERGY: 1907200 699.4133 1795.7493 1975.2376 92.0871 0.7732 -1092.9283 0.0000 0.0000 2723.9732 6194.3053 300.8704 3470.3321 6231.3907 301.6683 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: 7659.91, 0.00391379/step Wall: 7659.91, 0.00391379/step, 0.644253 hours remaining, 115.046875 MB of memory in use. ENERGY: 1907400 644.8110 1845.3968 1932.5679 110.7845 1.5752 -1113.2723 0.0000 0.0000 2799.0661 6220.9292 309.1647 3421.8630 6256.8437 301.6418 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: 7660.7, 0.00391255/step Wall: 7660.7, 0.00391255/step, 0.643833 hours remaining, 115.046875 MB of memory in use. ENERGY: 1907600 683.4481 1805.4082 1967.3155 124.5304 1.2263 -1112.5851 0.0000 0.0000 2751.3527 6220.6961 303.8946 3469.3434 6257.5712 301.7525 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: 7661.48, 0.0039064/step Wall: 7661.48, 0.0039064/step, 0.642602 hours remaining, 115.046875 MB of memory in use. ENERGY: 1907800 684.7574 1855.1808 1919.4529 116.3931 1.9808 -1116.5967 0.0000 0.0000 2695.7142 6156.8824 297.7491 3461.1683 6188.8812 299.8977 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: 7662.26, 0.00391046/step Wall: 7662.26, 0.00391046/step, 0.643053 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1908000 689.9189 1803.2722 1965.0583 122.1893 1.1926 -1114.8521 0.0000 0.0000 2705.9524 6172.7315 298.8800 3466.7791 6205.0785 299.5752 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: 7663.04, 0.0039125/step Wall: 7663.04, 0.00391249/step, 0.643171 hours remaining, 115.046875 MB of memory in use. ENERGY: 1908200 645.9388 1848.7622 1938.8508 104.2953 1.4856 -1132.1709 0.0000 0.0000 2739.9218 6147.0836 302.6320 3407.1618 6180.4329 299.5344 LDB: ============= START OF LOAD BALANCING ============== 7665.74 LDB: ============== END OF LOAD BALANCING =============== 7665.74 LDB: =============== DONE WITH MIGRATION ================ 7665.74 LDB: ============= START OF LOAD BALANCING ============== 7666.13 LDB: ============== END OF LOAD BALANCING =============== 7666.13 LDB: =============== DONE WITH MIGRATION ================ 7666.13 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: 7663.83, 0.0039166/step Wall: 7663.83, 0.0039166/step, 0.643628 hours remaining, 115.046875 MB of memory in use. ENERGY: 1908400 645.2276 1843.6189 1977.3370 110.7162 1.4213 -1085.9986 0.0000 0.0000 2715.0563 6207.3787 299.8855 3492.3224 6243.0996 299.5114 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: 7664.61, 0.00391189/step Wall: 7664.61, 0.00391189/step, 0.642637 hours remaining, 115.046875 MB of memory in use. ENERGY: 1908600 671.7333 1859.2599 1958.4627 117.7037 0.1724 -1125.7316 0.0000 0.0000 2687.1435 6168.7438 296.8025 3481.6004 6202.4792 301.4056 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: 7665.39, 0.00390464/step Wall: 7665.39, 0.00390464/step, 0.641229 hours remaining, 115.046875 MB of memory in use. ENERGY: 1908800 641.5547 1825.4428 1977.3029 106.1420 -0.1413 -1140.9534 0.0000 0.0000 2741.9873 6151.3351 302.8601 3409.3478 6186.3867 299.1021 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: 7666.17, 0.00390935/step Wall: 7666.17, 0.00390935/step, 0.641785 hours remaining, 115.046875 MB of memory in use. ENERGY: 1909000 662.2114 1847.4229 1939.6626 113.4957 0.1176 -1092.9003 0.0000 0.0000 2672.4593 6142.4692 295.1806 3470.0099 6171.7087 296.9111 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: 7666.95, 0.00391192/step Wall: 7666.95, 0.00391192/step, 0.64199 hours remaining, 115.046875 MB of memory in use. ENERGY: 1909200 651.6420 1842.8155 1950.7529 109.9398 1.2368 -1073.1086 0.0000 0.0000 2642.0284 6125.3067 291.8194 3483.2784 6159.9268 296.7558 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: 7667.74, 0.00391034/step Wall: 7667.74, 0.00391034/step, 0.641514 hours remaining, 115.046875 MB of memory in use. ENERGY: 1909400 651.0179 1801.9307 1951.6400 111.3034 1.9760 -1073.8664 0.0000 0.0000 2641.1047 6085.1063 291.7174 3444.0016 6115.4505 293.5712 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: 7668.52, 0.00390722/step Wall: 7668.52, 0.00390722/step, 0.640783 hours remaining, 115.046875 MB of memory in use. ENERGY: 1909600 673.7727 1835.3670 1961.7390 100.0410 1.8081 -1095.8419 0.0000 0.0000 2679.0023 6155.8883 295.9033 3476.8860 6186.0042 295.3672 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: 7669.3, 0.00391222/step Wall: 7669.3, 0.00391222/step, 0.641388 hours remaining, 115.046875 MB of memory in use. ENERGY: 1909800 630.5470 1859.7549 1915.9181 95.5208 -1.0578 -1095.2283 0.0000 0.0000 2776.5766 6182.0311 306.6806 3405.4545 6216.1502 299.7917 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: 7670.08, 0.00391278/step Wall: 7670.08, 0.00391278/step, 0.641261 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1910000 674.5579 1839.2110 1952.6477 101.5021 1.4534 -1057.1873 0.0000 0.0000 2698.1739 6210.3587 298.0208 3512.1848 6241.1489 301.0386 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1910000 WRITING COORDINATES TO DCD FILE MD.1.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: 7673.82, 0.0186795/step Wall: 7673.82, 0.0186795/step, 3.06033 hours remaining, 115.046875 MB of memory in use. ENERGY: 1910200 639.9772 1823.8083 1967.7519 108.0391 0.7518 -1084.9856 0.0000 0.0000 2728.9302 6184.2729 301.4179 3455.3428 6217.2126 299.6910 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: 7674.6, 0.00393561/step Wall: 7674.6, 0.00393561/step, 0.644565 hours remaining, 115.046875 MB of memory in use. ENERGY: 1910400 655.1099 1820.3800 1976.6063 106.3250 2.0392 -1097.1897 0.0000 0.0000 2711.0340 6174.3047 299.4413 3463.2707 6204.3223 298.3326 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: 7675.39, 0.00390661/step Wall: 7675.39, 0.00390661/step, 0.639599 hours remaining, 115.046875 MB of memory in use. ENERGY: 1910600 671.3030 1793.0329 1970.1653 108.2435 -0.0517 -1094.9890 0.0000 0.0000 2707.6900 6155.3940 299.0719 3447.7039 6187.1899 297.2397 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: 7676.17, 0.00391074/step Wall: 7676.17, 0.00391074/step, 0.640058 hours remaining, 115.046875 MB of memory in use. ENERGY: 1910800 638.5815 1840.6043 1976.3972 112.0180 -0.5365 -1109.7859 0.0000 0.0000 2682.6942 6139.9730 296.3110 3457.2787 6172.2273 298.2225 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: 7676.95, 0.00391086/step Wall: 7676.95, 0.00391086/step, 0.639859 hours remaining, 115.046875 MB of memory in use. ENERGY: 1911000 630.8919 1833.6502 1994.3811 113.1673 0.2861 -1081.6298 0.0000 0.0000 2702.8791 6193.6260 298.5405 3490.7469 6227.4314 298.3138 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: 7677.73, 0.00391795/step Wall: 7677.73, 0.00391795/step, 0.640802 hours remaining, 115.046875 MB of memory in use. ENERGY: 1911200 601.4133 1874.0935 1952.6476 116.6755 -0.3511 -1074.6602 0.0000 0.0000 2714.9696 6184.7882 299.8760 3469.8186 6218.0076 299.8942 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: 7678.51, 0.00390589/step Wall: 7678.51, 0.00390589/step, 0.638612 hours remaining, 115.046875 MB of memory in use. ENERGY: 1911400 648.1101 1866.4046 1982.6498 116.1253 1.6071 -1128.9525 0.0000 0.0000 2698.1543 6184.0986 298.0187 3485.9443 6214.3370 298.4437 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: 7679.3, 0.00390808/step Wall: 7679.3, 0.00390808/step, 0.638754 hours remaining, 115.046875 MB of memory in use. ENERGY: 1911600 659.9798 1822.3812 1957.9293 106.3875 1.0350 -1094.0442 0.0000 0.0000 2708.0970 6161.7655 299.1169 3453.6685 6194.9167 298.1056 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: 7680.08, 0.0039089/step Wall: 7680.08, 0.0039089/step, 0.638671 hours remaining, 115.046875 MB of memory in use. ENERGY: 1911800 626.1859 1804.0296 1939.4656 104.8565 0.3767 -1073.2858 0.0000 0.0000 2711.2832 6112.9118 299.4688 3401.6287 6147.7827 297.2312 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: 7680.86, 0.00390928/step Wall: 7680.86, 0.00390927/step, 0.638515 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1912000 657.8102 1845.6217 1973.7888 116.0663 -0.7341 -1091.0285 0.0000 0.0000 2616.3637 6117.8881 288.9847 3501.5244 6145.0428 294.5017 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: 7681.64, 0.00391087/step Wall: 7681.64, 0.00391088/step, 0.63856 hours remaining, 115.046875 MB of memory in use. ENERGY: 1912200 674.2627 1861.0265 1952.9251 108.8757 0.7414 -1057.6943 0.0000 0.0000 2654.1892 6194.3264 293.1626 3540.1372 6225.2534 297.2184 LDB: ============= START OF LOAD BALANCING ============== 7684.34 LDB: ============== END OF LOAD BALANCING =============== 7684.34 LDB: =============== DONE WITH MIGRATION ================ 7684.34 LDB: ============= START OF LOAD BALANCING ============== 7684.73 LDB: ============== END OF LOAD BALANCING =============== 7684.73 LDB: =============== DONE WITH MIGRATION ================ 7684.73 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: 7682.42, 0.00390977/step Wall: 7682.42, 0.00390977/step, 0.638161 hours remaining, 115.046875 MB of memory in use. ENERGY: 1912400 643.2445 1875.1157 1943.4058 102.6876 -0.3339 -1110.5988 0.0000 0.0000 2743.4982 6197.0191 303.0270 3453.5209 6231.8435 299.4078 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: 7683.21, 0.00390824/step Wall: 7683.21, 0.00390824/step, 0.637694 hours remaining, 115.046875 MB of memory in use. ENERGY: 1912600 631.6224 1867.9496 1973.8947 107.3863 2.8360 -1068.0514 0.0000 0.0000 2641.3515 6156.9890 291.7446 3515.6375 6187.6454 298.9651 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: 7683.99, 0.0039066/step Wall: 7683.99, 0.0039066/step, 0.637209 hours remaining, 115.046875 MB of memory in use. ENERGY: 1912800 645.7552 1782.6766 1979.0315 115.1599 1.6604 -1109.3419 0.0000 0.0000 2701.0358 6115.9773 298.3369 3414.9416 6150.3441 297.6204 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: 7684.77, 0.00391133/step Wall: 7684.77, 0.00391133/step, 0.637764 hours remaining, 115.046875 MB of memory in use. ENERGY: 1913000 634.2498 1801.8103 1952.5365 111.3335 0.3812 -1078.7919 0.0000 0.0000 2698.2425 6119.7618 298.0284 3421.5193 6155.2790 294.4570 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: 7685.55, 0.0039057/step Wall: 7685.55, 0.0039057/step, 0.636629 hours remaining, 115.046875 MB of memory in use. ENERGY: 1913200 627.1187 1861.9318 1969.9735 103.3312 0.9622 -1078.1682 0.0000 0.0000 2670.7376 6155.8868 294.9904 3485.1491 6190.2105 295.4840 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: 7686.33, 0.00391081/step Wall: 7686.33, 0.00391081/step, 0.637245 hours remaining, 115.046875 MB of memory in use. ENERGY: 1913400 660.8363 1870.4362 1974.3840 108.4455 1.1962 -1100.4700 0.0000 0.0000 2725.2657 6240.0940 301.0132 3514.8283 6272.9347 300.0162 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: 7687.11, 0.00390988/step Wall: 7687.11, 0.00390988/step, 0.636877 hours remaining, 115.046875 MB of memory in use. ENERGY: 1913600 644.6617 1841.9670 1978.4672 116.8757 1.0901 -1098.1838 0.0000 0.0000 2756.6042 6241.4821 304.4746 3484.8779 6274.3451 300.7573 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: 7687.9, 0.00390805/step Wall: 7687.9, 0.00390805/step, 0.636362 hours remaining, 115.046875 MB of memory in use. ENERGY: 1913800 665.3563 1870.8309 1959.1351 100.9113 1.7892 -1133.4346 0.0000 0.0000 2782.5166 6247.1047 307.3367 3464.5881 6282.1034 304.4511 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: 7688.68, 0.00390815/step Wall: 7688.68, 0.00390815/step, 0.636159 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1914000 641.9890 1851.5506 1949.6286 108.5384 2.0243 -1083.6867 0.0000 0.0000 2754.3898 6224.4339 304.2300 3470.0441 6257.6836 302.4815 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: 7689.46, 0.00391667/step Wall: 7689.46, 0.00391667/step, 0.637329 hours remaining, 115.046875 MB of memory in use. ENERGY: 1914200 642.3427 1845.9904 1955.5875 109.3491 -0.5120 -1056.3694 0.0000 0.0000 2749.6736 6246.0619 303.7091 3496.3884 6279.6863 303.4266 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: 7690.24, 0.00391336/step Wall: 7690.24, 0.00391336/step, 0.636573 hours remaining, 115.046875 MB of memory in use. ENERGY: 1914400 664.4489 1825.5801 1994.9737 99.6148 0.9256 -1121.4943 0.0000 0.0000 2743.1363 6207.1851 302.9870 3464.0488 6240.2276 301.9987 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: 7691.03, 0.00391406/step Wall: 7691.03, 0.00391406/step, 0.63647 hours remaining, 115.046875 MB of memory in use. ENERGY: 1914600 652.0696 1836.4359 1959.1258 110.3759 1.5147 -1137.4791 0.0000 0.0000 2817.5828 6239.6257 311.2099 3422.0428 6274.6237 301.7293 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: 7691.81, 0.00391036/step Wall: 7691.81, 0.00391036/step, 0.635651 hours remaining, 115.046875 MB of memory in use. ENERGY: 1914800 652.2915 1824.3958 1979.1819 120.0661 2.1970 -1108.4561 0.0000 0.0000 2770.3215 6239.9978 305.9897 3469.6763 6272.5385 302.5354 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: 7692.59, 0.00390698/step Wall: 7692.59, 0.00390698/step, 0.634885 hours remaining, 115.046875 MB of memory in use. ENERGY: 1915000 675.9735 1826.4090 1977.1711 113.8068 1.7296 -1114.0341 0.0000 0.0000 2753.8465 6234.9026 304.1700 3481.0561 6268.7768 300.7558 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: 7693.37, 0.00391075/step Wall: 7693.37, 0.00391075/step, 0.63528 hours remaining, 115.046875 MB of memory in use. ENERGY: 1915200 684.6822 1854.4188 2015.8933 101.2894 0.6221 -1155.3826 0.0000 0.0000 2679.6501 6181.1733 295.9748 3501.5232 6212.0181 300.1772 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: 7694.15, 0.00390916/step Wall: 7694.15, 0.00390916/step, 0.634803 hours remaining, 115.046875 MB of memory in use. ENERGY: 1915400 653.0678 1894.2657 1956.8290 106.0920 1.0279 -1113.7891 0.0000 0.0000 2696.6277 6194.1211 297.8500 3497.4934 6223.2196 301.9877 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: 7694.94, 0.00391025/step Wall: 7694.94, 0.00391025/step, 0.634764 hours remaining, 115.046875 MB of memory in use. ENERGY: 1915600 684.5607 1861.1731 1949.6377 120.3679 0.6225 -1117.5934 0.0000 0.0000 2697.8070 6196.5754 297.9803 3498.7685 6227.7894 299.9994 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: 7695.72, 0.00390553/step Wall: 7695.72, 0.00390553/step, 0.63378 hours remaining, 115.046875 MB of memory in use. ENERGY: 1915800 671.2742 1823.4273 1956.8745 104.9494 0.5606 -1103.6649 0.0000 0.0000 2718.6624 6172.0834 300.2838 3453.4211 6206.5045 300.2619 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: 7696.5, 0.0039036/step Wall: 7696.5, 0.0039036/step, 0.633251 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1916000 664.1033 1838.6266 1956.0128 108.0117 0.7927 -1100.8668 0.0000 0.0000 2753.2021 6219.8825 304.0988 3466.6804 6249.9478 300.7597 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: 7697.28, 0.00390681/step Wall: 7697.28, 0.00390681/step, 0.633554 hours remaining, 115.046875 MB of memory in use. ENERGY: 1916200 654.5707 1847.9852 1963.3394 98.3971 0.4210 -1116.4950 0.0000 0.0000 2666.2251 6114.4435 294.4920 3448.2184 6145.5965 299.1020 LDB: ============= START OF LOAD BALANCING ============== 7699.98 LDB: ============== END OF LOAD BALANCING =============== 7699.98 LDB: =============== DONE WITH MIGRATION ================ 7699.98 LDB: ============= START OF LOAD BALANCING ============== 7700.37 LDB: ============== END OF LOAD BALANCING =============== 7700.37 LDB: =============== DONE WITH MIGRATION ================ 7700.37 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: 7698.06, 0.00391187/step Wall: 7698.06, 0.00391187/step, 0.634158 hours remaining, 115.046875 MB of memory in use. ENERGY: 1916400 657.6247 1843.6417 1932.7825 108.9685 0.5686 -1102.9612 0.0000 0.0000 2701.7921 6142.4168 298.4205 3440.6247 6175.8198 296.5969 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: 7698.84, 0.0039079/step Wall: 7698.84, 0.0039079/step, 0.633296 hours remaining, 115.046875 MB of memory in use. ENERGY: 1916600 665.8216 1831.7963 1944.2370 92.1296 1.9808 -1104.6626 0.0000 0.0000 2710.4277 6141.7303 299.3743 3431.3025 6174.7683 297.1485 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: 7699.62, 0.00390272/step Wall: 7699.62, 0.00390272/step, 0.632241 hours remaining, 115.046875 MB of memory in use. ENERGY: 1916800 690.9937 1849.9738 1995.3851 110.4160 0.7593 -1092.9757 0.0000 0.0000 2702.4163 6256.9685 298.4894 3554.5522 6289.9697 301.0484 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: 7700.41, 0.00390696/step Wall: 7700.41, 0.00390696/step, 0.632711 hours remaining, 115.046875 MB of memory in use. ENERGY: 1917000 681.1606 1898.7919 1966.2062 98.9148 1.2145 -1070.0683 0.0000 0.0000 2683.2013 6259.4211 296.3671 3576.2198 6288.2634 303.6925 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: 7701.19, 0.00390518/step Wall: 7701.19, 0.00390518/step, 0.632206 hours remaining, 115.046875 MB of memory in use. ENERGY: 1917200 625.4070 1814.9064 1950.6428 117.5503 1.1260 -1054.3902 0.0000 0.0000 2830.1235 6285.3659 312.5950 3455.2424 6321.5683 304.8697 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: 7701.97, 0.0039076/step Wall: 7701.97, 0.0039076/step, 0.632379 hours remaining, 115.046875 MB of memory in use. ENERGY: 1917400 666.7450 1894.7767 1978.1367 105.7608 2.7490 -1143.5733 0.0000 0.0000 2743.7322 6248.3271 303.0529 3504.5950 6280.3585 304.0637 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: 7702.75, 0.00390976/step Wall: 7702.75, 0.00390976/step, 0.632513 hours remaining, 115.046875 MB of memory in use. ENERGY: 1917600 675.2731 1849.0793 1962.3710 109.4399 1.4014 -1111.4690 0.0000 0.0000 2726.9499 6213.0457 301.1992 3486.0958 6248.9163 302.7981 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: 7703.53, 0.00390475/step Wall: 7703.53, 0.00390475/step, 0.631485 hours remaining, 115.046875 MB of memory in use. ENERGY: 1917800 656.9883 1835.6375 1950.6896 114.4716 1.9840 -1097.5151 0.0000 0.0000 2747.8460 6210.1019 303.5072 3462.2559 6242.5607 302.0825 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: 7704.31, 0.00390854/step Wall: 7704.31, 0.00390854/step, 0.631881 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1918000 669.6308 1829.9434 1935.0938 110.8454 1.2909 -1062.9681 0.0000 0.0000 2684.1803 6168.0164 296.4752 3483.8361 6201.9481 299.1268 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: 7705.09, 0.00390807/step Wall: 7705.09, 0.00390807/step, 0.631587 hours remaining, 115.046875 MB of memory in use. ENERGY: 1918200 668.2906 1814.3082 1939.7097 112.8428 2.1622 -1062.5445 0.0000 0.0000 2722.4816 6197.2506 300.7057 3474.7690 6232.8426 298.6052 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: 7705.88, 0.00390646/step Wall: 7705.88, 0.00390646/step, 0.63111 hours remaining, 115.046875 MB of memory in use. ENERGY: 1918400 657.3699 1802.2340 1983.1491 102.6919 2.3632 -1072.3564 0.0000 0.0000 2756.0235 6231.4753 304.4105 3475.4517 6264.0880 301.9363 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: 7706.66, 0.00390438/step Wall: 7706.66, 0.00390438/step, 0.630558 hours remaining, 115.046875 MB of memory in use. ENERGY: 1918600 641.2319 1833.5534 1960.6247 114.2785 2.3718 -1076.2511 0.0000 0.0000 2759.4445 6235.2537 304.7883 3475.8092 6270.1079 302.5609 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: 7707.44, 0.00390974/step Wall: 7707.44, 0.00390974/step, 0.631206 hours remaining, 115.046875 MB of memory in use. ENERGY: 1918800 655.5621 1876.0984 1975.8474 125.0618 1.1595 -1086.2217 0.0000 0.0000 2712.7031 6260.2105 299.6256 3547.5074 6291.7847 302.4560 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: 7708.22, 0.00391253/step Wall: 7708.22, 0.00391252/step, 0.631437 hours remaining, 115.046875 MB of memory in use. ENERGY: 1919000 622.9149 1866.3416 1987.4261 119.6816 1.7044 -1067.1243 0.0000 0.0000 2738.9931 6269.9374 302.5294 3530.9442 6306.7069 303.1207 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: 7709, 0.00391161/step Wall: 7709, 0.00391162/step, 0.631075 hours remaining, 115.046875 MB of memory in use. ENERGY: 1919200 634.6825 1848.2690 1946.3818 98.4661 1.3182 -1066.1386 0.0000 0.0000 2748.2007 6211.1798 303.5464 3462.9791 6247.5729 302.8516 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: 7709.79, 0.00391124/step Wall: 7709.79, 0.00391124/step, 0.630795 hours remaining, 115.046875 MB of memory in use. ENERGY: 1919400 667.5891 1850.4023 1921.5940 102.6103 2.9594 -1128.1406 0.0000 0.0000 2790.9273 6207.9417 308.2657 3417.0144 6244.5305 302.3471 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: 7710.57, 0.00390757/step Wall: 7710.57, 0.00390758/step, 0.629989 hours remaining, 115.046875 MB of memory in use. ENERGY: 1919600 697.0457 1830.5472 1948.7066 114.9888 1.5402 -1123.0830 0.0000 0.0000 2732.2758 6202.0213 301.7875 3469.7456 6234.5481 300.3667 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: 7711.35, 0.00391236/step Wall: 7711.35, 0.00391236/step, 0.630541 hours remaining, 115.046875 MB of memory in use. ENERGY: 1919800 659.6015 1867.4624 1926.1859 106.1360 2.2329 -1082.0609 0.0000 0.0000 2728.2023 6207.7601 301.3375 3479.5578 6240.7259 299.8010 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: 7712.13, 0.00391215/step Wall: 7712.13, 0.00391214/step, 0.63029 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1920000 666.5345 1799.6616 1947.1199 112.3725 0.6611 -1069.1844 0.0000 0.0000 2796.6763 6253.8414 308.9007 3457.1651 6288.5145 301.8190 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1920000 WRITING COORDINATES TO DCD FILE MD.1.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: 7719.44, 0.0365409/step Wall: 7719.44, 0.036541/step, 5.88512 hours remaining, 115.046875 MB of memory in use. ENERGY: 1920200 685.0501 1844.4484 1960.9675 116.7658 1.8781 -1072.5841 0.0000 0.0000 2784.9222 6321.4481 307.6024 3536.5259 6354.8609 307.2568 LDB: ============= START OF LOAD BALANCING ============== 7722.14 LDB: ============== END OF LOAD BALANCING =============== 7722.14 LDB: =============== DONE WITH MIGRATION ================ 7722.14 LDB: ============= START OF LOAD BALANCING ============== 7722.53 LDB: ============== END OF LOAD BALANCING =============== 7722.53 LDB: =============== DONE WITH MIGRATION ================ 7722.53 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: 7720.22, 0.00391765/step Wall: 7720.22, 0.00391765/step, 0.630741 hours remaining, 115.046875 MB of memory in use. ENERGY: 1920400 654.0087 1890.9364 1966.6439 114.4157 1.1501 -1132.5843 0.0000 0.0000 2756.7467 6251.3171 304.4904 3494.5704 6284.6046 306.2793 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: 7721.01, 0.00391152/step Wall: 7721.01, 0.00391152/step, 0.629537 hours remaining, 115.046875 MB of memory in use. ENERGY: 1920600 656.0534 1852.0953 1954.7794 106.3178 1.1228 -1108.3033 0.0000 0.0000 2721.9794 6184.0447 300.6502 3462.0653 6218.6130 301.7258 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: 7721.79, 0.00390973/step Wall: 7721.79, 0.00390973/step, 0.629033 hours remaining, 115.046875 MB of memory in use. ENERGY: 1920800 634.9196 1817.1796 1976.7362 98.2228 2.1264 -1111.5381 0.0000 0.0000 2784.8284 6202.4750 307.5921 3417.6466 6236.1566 301.4933 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: 7722.57, 0.00390558/step Wall: 7722.57, 0.00390558/step, 0.628148 hours remaining, 115.046875 MB of memory in use. ENERGY: 1921000 684.4400 1855.3026 1958.1018 116.1148 1.4491 -1100.7997 0.0000 0.0000 2675.2574 6189.8660 295.4896 3514.6085 6222.1716 301.2431 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: 7723.35, 0.00391204/step Wall: 7723.35, 0.00391204/step, 0.628969 hours remaining, 115.046875 MB of memory in use. ENERGY: 1921200 686.8431 1882.9453 1952.9403 109.8586 3.0169 -1141.7629 0.0000 0.0000 2691.7171 6185.5584 297.3077 3493.8413 6218.9054 299.9733 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: 7724.13, 0.00391285/step Wall: 7724.13, 0.00391285/step, 0.628881 hours remaining, 115.046875 MB of memory in use. ENERGY: 1921400 656.2538 1854.6804 1957.7675 106.0612 2.3048 -1127.5967 0.0000 0.0000 2729.4076 6178.8785 301.4707 3449.4710 6214.0152 300.8859 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: 7724.92, 0.00391197/step Wall: 7724.92, 0.00391197/step, 0.628523 hours remaining, 115.046875 MB of memory in use. ENERGY: 1921600 656.8665 1856.9988 1919.6660 103.4216 4.0027 -1074.6120 0.0000 0.0000 2733.3479 6199.6915 301.9059 3466.3435 6233.2708 301.3046 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: 7725.7, 0.00390552/step Wall: 7725.7, 0.00390552/step, 0.62727 hours remaining, 115.046875 MB of memory in use. ENERGY: 1921800 642.3024 1828.8298 1952.5708 117.9527 3.2743 -1095.2177 0.0000 0.0000 2716.8718 6166.5840 300.0861 3449.7122 6204.3602 299.2245 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: 7726.48, 0.00391095/step Wall: 7726.48, 0.00391095/step, 0.627925 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1922000 633.1399 1836.7308 1931.5939 106.3894 3.0067 -1063.3508 0.0000 0.0000 2718.4276 6165.9375 300.2579 3447.5099 6198.4674 298.3031 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: 7727.26, 0.00390948/step Wall: 7727.26, 0.00390948/step, 0.627472 hours remaining, 115.046875 MB of memory in use. ENERGY: 1922200 655.8047 1809.6350 1943.3007 109.7962 3.2031 -1087.7405 0.0000 0.0000 2683.6047 6117.6040 296.4116 3433.9993 6149.5283 297.7677 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: 7728.04, 0.00391194/step Wall: 7728.04, 0.00391194/step, 0.62765 hours remaining, 115.046875 MB of memory in use. ENERGY: 1922400 675.1971 1817.7045 1969.4344 110.5757 2.4801 -1090.6426 0.0000 0.0000 2652.3387 6137.0878 292.9582 3484.7491 6169.9792 295.9892 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: 7728.83, 0.00391346/step Wall: 7728.83, 0.00391346/step, 0.627675 hours remaining, 115.046875 MB of memory in use. ENERGY: 1922600 654.0666 1806.6820 1925.0653 118.5337 3.2402 -1116.5518 0.0000 0.0000 2723.4626 6114.4987 300.8140 3391.0361 6149.1796 297.0351 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: 7729.61, 0.00390753/step Wall: 7729.61, 0.00390753/step, 0.626507 hours remaining, 115.046875 MB of memory in use. ENERGY: 1922800 637.1213 1863.3317 1950.5441 108.7593 3.0251 -1099.0928 0.0000 0.0000 2698.9226 6162.6112 298.1035 3463.6886 6196.3900 298.3318 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: 7730.39, 0.00390973/step Wall: 7730.39, 0.00390973/step, 0.626644 hours remaining, 115.046875 MB of memory in use. ENERGY: 1923000 665.5015 1859.0691 1952.0420 102.3716 3.2809 -1114.2792 0.0000 0.0000 2683.0734 6151.0592 296.3529 3467.9858 6182.8992 297.4675 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: 7731.17, 0.00390844/step Wall: 7731.17, 0.00390844/step, 0.62622 hours remaining, 115.046875 MB of memory in use. ENERGY: 1923200 641.0378 1836.5791 1945.2212 113.1014 0.9856 -1119.7912 0.0000 0.0000 2707.6213 6124.7551 299.0643 3417.1339 6158.4239 298.5432 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: 7731.95, 0.00390861/step Wall: 7731.95, 0.00390861/step, 0.626028 hours remaining, 115.046875 MB of memory in use. ENERGY: 1923400 673.2534 1851.8984 1958.3910 117.5575 1.3185 -1107.4386 0.0000 0.0000 2648.8895 6143.8697 292.5772 3494.9802 6174.7133 297.9727 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: 7732.74, 0.0039116/step Wall: 7732.74, 0.0039116/step, 0.626291 hours remaining, 115.046875 MB of memory in use. ENERGY: 1923600 666.3739 1844.0705 1961.1908 112.3708 0.3367 -1123.8767 0.0000 0.0000 2720.9667 6181.4327 300.5383 3460.4660 6215.5420 299.3723 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: 7733.52, 0.00390677/step Wall: 7733.52, 0.00390677/step, 0.6253 hours remaining, 115.046875 MB of memory in use. ENERGY: 1923800 659.7379 1840.4586 1966.2533 99.2698 1.7181 -1099.5049 0.0000 0.0000 2716.3098 6184.2424 300.0240 3467.9327 6216.1510 299.9667 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: 7734.3, 0.00391046/step Wall: 7734.3, 0.00391046/step, 0.625674 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1924000 662.1461 1834.8807 1963.2567 97.8515 0.5901 -1103.4545 0.0000 0.0000 2743.5001 6198.7708 303.0272 3455.2706 6229.6481 300.0285 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: 7735.08, 0.00391205/step Wall: 7735.08, 0.00391205/step, 0.625711 hours remaining, 115.046875 MB of memory in use. ENERGY: 1924200 674.8207 1814.5982 1967.7755 106.3012 1.3445 -1105.3234 0.0000 0.0000 2733.1235 6192.6403 301.8811 3459.5168 6224.8675 300.8550 LDB: ============= START OF LOAD BALANCING ============== 7737.78 LDB: ============== END OF LOAD BALANCING =============== 7737.78 LDB: =============== DONE WITH MIGRATION ================ 7737.78 LDB: ============= START OF LOAD BALANCING ============== 7738.17 LDB: ============== END OF LOAD BALANCING =============== 7738.17 LDB: =============== DONE WITH MIGRATION ================ 7738.17 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: 7735.86, 0.00391664/step Wall: 7735.86, 0.00391664/step, 0.626227 hours remaining, 115.046875 MB of memory in use. ENERGY: 1924400 650.7964 1867.8711 1952.6006 116.6903 2.2004 -1102.8158 0.0000 0.0000 2733.6927 6221.0357 301.9440 3487.3430 6257.8313 299.8788 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: 7736.65, 0.00390628/step Wall: 7736.65, 0.00390628/step, 0.624354 hours remaining, 115.046875 MB of memory in use. ENERGY: 1924600 632.9578 1836.9933 1968.2132 121.5198 1.4883 -1087.3716 0.0000 0.0000 2693.6855 6167.4864 297.5251 3473.8008 6199.6959 300.4619 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: 7737.43, 0.00391037/step Wall: 7737.43, 0.00391037/step, 0.624791 hours remaining, 115.046875 MB of memory in use. ENERGY: 1924800 657.6464 1853.9465 1914.2339 109.2888 0.5498 -1107.6560 0.0000 0.0000 2695.3558 6123.3651 297.7096 3428.0093 6155.7335 298.4887 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: 7738.21, 0.00390948/step Wall: 7738.21, 0.00390948/step, 0.624431 hours remaining, 115.046875 MB of memory in use. ENERGY: 1925000 672.8357 1825.1886 1979.9658 114.6917 1.2509 -1116.3513 0.0000 0.0000 2688.1264 6165.7077 296.9110 3477.5813 6198.1274 297.1796 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: 7738.99, 0.00391104/step Wall: 7738.99, 0.00391104/step, 0.624462 hours remaining, 115.046875 MB of memory in use. ENERGY: 1925200 650.8656 1842.5425 1983.0872 108.4726 1.4422 -1114.6683 0.0000 0.0000 2689.9595 6161.7013 297.1135 3471.7418 6196.5913 298.2253 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: 7739.77, 0.00391041/step Wall: 7739.77, 0.00391041/step, 0.624145 hours remaining, 115.046875 MB of memory in use. ENERGY: 1925400 650.4917 1820.2235 1957.3940 107.2594 2.9368 -1105.8938 0.0000 0.0000 2784.5167 6216.9283 307.5576 3432.4116 6250.2314 300.9031 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: 7740.56, 0.00390593/step Wall: 7740.56, 0.00390593/step, 0.623213 hours remaining, 115.046875 MB of memory in use. ENERGY: 1925600 692.1684 1835.2297 1968.0021 104.0575 1.0077 -1123.5904 0.0000 0.0000 2740.6266 6217.5017 302.7098 3476.8751 6247.7867 302.0059 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: 7741.34, 0.00391132/step Wall: 7741.34, 0.00391132/step, 0.623856 hours remaining, 115.046875 MB of memory in use. ENERGY: 1925800 616.9631 1866.2342 1944.3075 117.4188 1.6326 -1086.6906 0.0000 0.0000 2712.4565 6172.3220 299.5984 3459.8655 6206.5772 300.7432 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: 7742.12, 0.00391008/step Wall: 7742.12, 0.00391008/step, 0.623441 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1926000 617.7116 1877.8999 1970.3143 117.1372 2.7343 -1097.4665 0.0000 0.0000 2697.1595 6185.4903 297.9088 3488.3308 6218.2902 300.2257 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: 7742.9, 0.00390972/step Wall: 7742.9, 0.00390972/step, 0.623167 hours remaining, 115.046875 MB of memory in use. ENERGY: 1926200 646.4692 1883.7237 1968.7974 97.7170 1.1251 -1096.6804 0.0000 0.0000 2683.7799 6184.9319 296.4310 3501.1520 6217.4529 300.6401 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: 7743.68, 0.0039081/step Wall: 7743.68, 0.0039081/step, 0.622691 hours remaining, 115.046875 MB of memory in use. ENERGY: 1926400 627.8325 1856.0242 1983.5280 99.4663 1.2360 -1114.0246 0.0000 0.0000 2771.6831 6225.7456 306.1401 3454.0625 6262.6121 301.8443 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: 7744.47, 0.00391075/step Wall: 7744.47, 0.00391075/step, 0.622896 hours remaining, 115.046875 MB of memory in use. ENERGY: 1926600 678.8218 1860.5938 1974.4783 118.1023 1.7376 -1115.1120 0.0000 0.0000 2707.1229 6225.7446 299.0093 3518.6217 6256.1742 301.3882 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: 7745.25, 0.00390971/step Wall: 7745.25, 0.00390971/step, 0.622513 hours remaining, 115.046875 MB of memory in use. ENERGY: 1926800 659.8418 1842.4904 1960.4343 114.4440 1.5199 -1095.9894 0.0000 0.0000 2721.2315 6203.9725 300.5676 3482.7410 6239.7278 301.2581 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: 7746.03, 0.00390704/step Wall: 7746.03, 0.00390704/step, 0.621871 hours remaining, 115.046875 MB of memory in use. ENERGY: 1927000 633.6083 1851.8412 1976.9508 96.1714 1.9333 -1116.1618 0.0000 0.0000 2736.6869 6181.0301 302.2747 3444.3432 6216.9374 299.7682 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: 7746.81, 0.00390824/step Wall: 7746.81, 0.00390824/step, 0.621845 hours remaining, 115.046875 MB of memory in use. ENERGY: 1927200 663.6298 1784.2062 1944.3524 104.3585 0.6681 -1125.5529 0.0000 0.0000 2733.0763 6104.7383 301.8759 3371.6621 6138.1033 297.4255 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: 7747.59, 0.00390248/step Wall: 7747.59, 0.00390248/step, 0.620711 hours remaining, 115.046875 MB of memory in use. ENERGY: 1927400 635.4759 1833.6762 1963.9025 117.0756 1.3582 -1099.1525 0.0000 0.0000 2688.3295 6140.6654 296.9335 3452.3359 6176.0189 296.0091 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: 7748.37, 0.00390918/step Wall: 7748.37, 0.00390918/step, 0.62156 hours remaining, 115.046875 MB of memory in use. ENERGY: 1927600 639.4107 1813.3077 1957.3546 117.8232 2.6888 -1111.1363 0.0000 0.0000 2740.5016 6159.9503 302.6960 3419.4487 6194.3409 298.2376 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: 7749.15, 0.00390794/step Wall: 7749.15, 0.00390794/step, 0.621145 hours remaining, 115.046875 MB of memory in use. ENERGY: 1927800 680.5729 1824.9503 1950.2452 106.7243 1.6815 -1100.9109 0.0000 0.0000 2693.1588 6156.4221 297.4669 3463.2633 6187.7463 297.9131 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: 7749.94, 0.00392499/step Wall: 7749.94, 0.00392499/step, 0.623638 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1928000 636.8620 1851.9029 1987.4768 109.3799 1.1606 -1104.2214 0.0000 0.0000 2736.0553 6218.6160 302.2049 3482.5607 6250.7236 299.9708 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: 7750.72, 0.00390538/step Wall: 7750.72, 0.00390538/step, 0.620305 hours remaining, 115.046875 MB of memory in use. ENERGY: 1928200 662.6561 1788.5011 1993.3932 111.6400 1.0352 -1103.7402 0.0000 0.0000 2754.6948 6208.1803 304.2637 3453.4855 6239.1330 300.7033 LDB: ============= START OF LOAD BALANCING ============== 7753.42 LDB: ============== END OF LOAD BALANCING =============== 7753.42 LDB: =============== DONE WITH MIGRATION ================ 7753.42 LDB: ============= START OF LOAD BALANCING ============== 7753.81 LDB: ============== END OF LOAD BALANCING =============== 7753.81 LDB: =============== DONE WITH MIGRATION ================ 7753.81 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: 7751.5, 0.00391419/step Wall: 7751.5, 0.00391419/step, 0.621487 hours remaining, 115.046875 MB of memory in use. ENERGY: 1928400 664.2945 1847.8604 1982.9340 103.6296 0.3522 -1073.5669 0.0000 0.0000 2666.5856 6192.0896 294.5318 3525.5039 6222.5560 301.1947 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: 7752.28, 0.00390779/step Wall: 7752.28, 0.00390779/step, 0.620253 hours remaining, 115.046875 MB of memory in use. ENERGY: 1928600 666.2984 1778.9651 1970.3593 100.3001 1.3386 -1086.2352 0.0000 0.0000 2761.3993 6192.4256 305.0043 3431.0262 6227.4657 300.3398 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: 7753.07, 0.00390902/step Wall: 7753.07, 0.00390902/step, 0.62023 hours remaining, 115.046875 MB of memory in use. ENERGY: 1928800 632.9841 1836.4045 2016.4325 107.2114 1.8009 -1080.8399 0.0000 0.0000 2719.7093 6233.7028 300.3995 3513.9935 6266.5160 300.4270 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: 7753.85, 0.00390826/step Wall: 7753.85, 0.00390826/step, 0.619894 hours remaining, 115.046875 MB of memory in use. ENERGY: 1929000 654.1529 1861.1654 1946.8903 105.0892 -0.4263 -1139.6468 0.0000 0.0000 2728.7439 6155.9687 301.3974 3427.2248 6188.5353 299.3881 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: 7754.63, 0.00390443/step Wall: 7754.63, 0.00390443/step, 0.619069 hours remaining, 115.046875 MB of memory in use. ENERGY: 1929200 621.4717 1845.5786 1964.4487 116.4334 1.7345 -1115.2513 0.0000 0.0000 2664.8042 6099.2199 294.3351 3434.4156 6133.1143 296.5352 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: 7755.41, 0.00391065/step Wall: 7755.41, 0.00391065/step, 0.619838 hours remaining, 115.046875 MB of memory in use. ENERGY: 1929400 657.0591 1790.0072 1978.3699 109.1622 0.5764 -1119.2404 0.0000 0.0000 2686.3107 6102.2451 296.7105 3415.9345 6135.9102 295.4080 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: 7756.19, 0.0039097/step Wall: 7756.19, 0.0039097/step, 0.619471 hours remaining, 115.046875 MB of memory in use. ENERGY: 1929600 625.6347 1809.6237 1965.1918 108.6507 1.0348 -1092.3527 0.0000 0.0000 2720.3199 6138.1029 300.4669 3417.7830 6169.9602 297.2519 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: 7756.98, 0.00390921/step Wall: 7756.98, 0.00390921/step, 0.619176 hours remaining, 115.046875 MB of memory in use. ENERGY: 1929800 665.9091 1830.3260 1993.0702 114.4382 1.3458 -1135.4069 0.0000 0.0000 2652.8816 6122.5640 293.0182 3469.6824 6151.3619 297.4159 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: 7757.76, 0.00390362/step Wall: 7757.76, 0.00390362/step, 0.618073 hours remaining, 115.046875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1930000 627.6019 1772.5553 1987.6176 93.9134 1.3684 -1100.9057 0.0000 0.0000 2706.5413 6088.6922 298.9450 3382.1509 6122.4229 296.0394 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1930000 WRITING COORDINATES TO DCD FILE MD.1.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: 7758.81, 0.00524884/step Wall: 7758.81, 0.00524884/step, 0.830774 hours remaining, 115.046875 MB of memory in use. ENERGY: 1930200 667.7116 1813.4538 1966.5269 109.6422 0.0954 -1121.9838 0.0000 0.0000 2678.6632 6114.1093 295.8658 3435.4460 6149.7779 295.0616 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: 7759.59, 0.00390519/step Wall: 7759.59, 0.00390519/step, 0.617887 hours remaining, 115.046875 MB of memory in use. ENERGY: 1930400 677.5412 1860.0818 1959.6086 109.0689 -0.4193 -1111.1293 0.0000 0.0000 2729.8036 6224.5555 301.5144 3494.7519 6258.8117 298.2709 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: 7760.37, 0.00390906/step Wall: 7760.37, 0.00390906/step, 0.618283 hours remaining, 115.046875 MB of memory in use. ENERGY: 1930600 667.2519 1918.6226 1928.8392 120.6298 1.3993 -1065.7112 0.0000 0.0000 2699.8671 6270.8988 298.2078 3571.0316 6301.6058 304.1171 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: 7761.15, 0.00390921/step Wall: 7761.15, 0.00390921/step, 0.61809 hours remaining, 115.050781 MB of memory in use. ENERGY: 1930800 658.9608 1853.1077 1935.2286 116.0888 0.9565 -1087.0161 0.0000 0.0000 2756.6856 6234.0119 304.4836 3477.3263 6269.6474 301.9312 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: 7761.93, 0.00390911/step Wall: 7761.93, 0.00390911/step, 0.617856 hours remaining, 115.050781 MB of memory in use. ENERGY: 1931000 640.6287 1853.7319 1930.8168 106.8253 0.9334 -1098.8669 0.0000 0.0000 2801.7320 6235.8013 309.4591 3434.0693 6269.5745 302.4907 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: 7762.71, 0.00390702/step Wall: 7762.71, 0.00390702/step, 0.617308 hours remaining, 115.050781 MB of memory in use. ENERGY: 1931200 665.2169 1852.1914 1963.4095 106.3671 0.3745 -1095.5790 0.0000 0.0000 2726.5113 6218.4919 301.1508 3491.9805 6250.3096 301.7314 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: 7763.5, 0.00390916/step Wall: 7763.5, 0.00390916/step, 0.617431 hours remaining, 115.050781 MB of memory in use. ENERGY: 1931400 680.9114 1857.2819 1979.0212 111.0483 0.5152 -1112.1592 0.0000 0.0000 2727.1982 6243.8172 301.2266 3516.6189 6277.6750 302.5794 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: 7764.28, 0.00390869/step Wall: 7764.28, 0.00390869/step, 0.61714 hours remaining, 115.050781 MB of memory in use. ENERGY: 1931600 682.5736 1876.3920 1949.6517 102.7458 0.6485 -1095.4937 0.0000 0.0000 2750.1947 6266.7127 303.7667 3516.5180 6299.5545 305.2603 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: 7765.06, 0.00390978/step Wall: 7765.06, 0.00390978/step, 0.617094 hours remaining, 115.050781 MB of memory in use. ENERGY: 1931800 662.7858 1866.5507 1930.8304 103.6051 1.7203 -1119.0851 0.0000 0.0000 2840.2542 6286.6614 313.7140 3446.4073 6324.0774 304.2642 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: 7765.84, 0.00391019/step Wall: 7765.84, 0.00391019/step, 0.616941 hours remaining, 115.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1932000 676.3989 1892.0815 1971.4599 110.1420 0.6708 -1097.5852 0.0000 0.0000 2757.6118 6310.7798 304.5859 3553.1680 6344.0045 305.1070 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: 7766.62, 0.00390846/step Wall: 7766.62, 0.00390846/step, 0.616452 hours remaining, 115.050781 MB of memory in use. ENERGY: 1932200 636.8765 1853.5729 1956.7429 105.7716 1.2167 -1080.9266 0.0000 0.0000 2780.4172 6253.6713 307.1048 3473.2541 6286.4477 304.9177 LDB: ============= START OF LOAD BALANCING ============== 7769.32 LDB: ============== END OF LOAD BALANCING =============== 7769.32 LDB: =============== DONE WITH MIGRATION ================ 7769.32 LDB: ============= START OF LOAD BALANCING ============== 7769.71 LDB: ============== END OF LOAD BALANCING =============== 7769.71 LDB: =============== DONE WITH MIGRATION ================ 7769.71 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: 7767.41, 0.00391227/step Wall: 7767.41, 0.00391227/step, 0.616835 hours remaining, 115.050781 MB of memory in use. ENERGY: 1932400 669.8670 1914.4506 1949.6560 92.7994 1.8770 -1087.9642 0.0000 0.0000 2731.7374 6272.4231 301.7280 3540.6857 6304.9082 303.2539 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: 7768.19, 0.00390723/step Wall: 7768.19, 0.00390723/step, 0.615822 hours remaining, 115.050781 MB of memory in use. ENERGY: 1932600 672.1445 1928.8352 1947.0478 111.5775 0.5655 -1105.7351 0.0000 0.0000 2696.2678 6250.7033 297.8103 3554.4354 6284.3288 303.2287 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: 7768.97, 0.00390764/step Wall: 7768.97, 0.00390764/step, 0.61567 hours remaining, 115.050781 MB of memory in use. ENERGY: 1932800 681.0824 1827.1885 1961.1172 122.6442 1.9615 -1093.5939 0.0000 0.0000 2728.8874 6229.2873 301.4132 3500.3999 6263.4970 303.8294 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: 7769.75, 0.00390353/step Wall: 7769.75, 0.00390353/step, 0.614806 hours remaining, 115.050781 MB of memory in use. ENERGY: 1933000 647.9684 1845.1590 1957.3317 115.7877 1.3398 -1107.7466 0.0000 0.0000 2763.3269 6223.1671 305.2172 3459.8401 6258.8010 302.8410 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: 7770.53, 0.00390687/step Wall: 7770.53, 0.00390687/step, 0.615115 hours remaining, 115.050781 MB of memory in use. ENERGY: 1933200 677.5046 1837.8343 1935.0457 122.2931 1.8825 -1092.4994 0.0000 0.0000 2739.9253 6221.9860 302.6324 3482.0607 6253.4806 301.4763 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: 7771.31, 0.00390833/step Wall: 7771.31, 0.00390833/step, 0.615127 hours remaining, 115.050781 MB of memory in use. ENERGY: 1933400 684.4764 1841.2762 1952.9967 98.4607 1.5786 -1105.4961 0.0000 0.0000 2737.6773 6210.9697 302.3841 3473.2924 6244.7074 301.5386 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: 7772.09, 0.0039089/step Wall: 7772.09, 0.0039089/step, 0.615 hours remaining, 115.050781 MB of memory in use. ENERGY: 1933600 657.2374 1820.7704 1981.7667 118.3539 0.8327 -1058.8626 0.0000 0.0000 2697.4348 6217.5333 297.9392 3520.0985 6250.7523 301.4449 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: 7772.88, 0.00390904/step Wall: 7772.88, 0.00390904/step, 0.614806 hours remaining, 115.050781 MB of memory in use. ENERGY: 1933800 633.6367 1906.9596 1973.1453 118.2570 2.2269 -1093.1223 0.0000 0.0000 2736.4563 6277.5595 302.2492 3541.1033 6308.5003 302.9677 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: 7773.66, 0.00390356/step Wall: 7773.66, 0.00390356/step, 0.613726 hours remaining, 115.050781 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1934000 651.7105 1892.9149 1965.0040 105.2453 1.7540 -1106.6219 0.0000 0.0000 2799.8511 6309.8579 309.2513 3510.0069 6345.4702 304.8855 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: 7774.44, 0.00390902/step Wall: 7774.44, 0.00390901/step, 0.614367 hours remaining, 115.050781 MB of memory in use. ENERGY: 1934200 669.0743 1893.8405 1959.2180 119.8187 0.8756 -1103.7007 0.0000 0.0000 2734.2646 6273.3911 302.0071 3539.1265 6305.9014 304.0668 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: 7775.22, 0.00390686/step Wall: 7775.22, 0.00390686/step, 0.613811 hours remaining, 115.050781 MB of memory in use. ENERGY: 1934400 632.4640 1855.8508 1983.3874 113.0786 1.6574 -1082.0584 0.0000 0.0000 2712.1484 6216.5283 299.5643 3504.3799 6249.6701 301.7214 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: 7776, 0.00390647/step Wall: 7776, 0.00390647/step, 0.613533 hours remaining, 115.050781 MB of memory in use. ENERGY: 1934600 660.6408 1820.1173 1977.8607 104.8059 1.7362 -1087.2507 0.0000 0.0000 2775.4104 6253.3207 306.5518 3477.9102 6288.9472 300.6467 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: 7776.78, 0.00390323/step Wall: 7776.78, 0.00390323/step, 0.612807 hours remaining, 115.050781 MB of memory in use. ENERGY: 1934800 666.7697 1839.8680 1964.9622 103.7245 0.7446 -1056.8618 0.0000 0.0000 2733.5081 6252.7152 301.9236 3519.2071 6286.1056 302.3510 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: 7777.56, 0.00390594/step Wall: 7777.56, 0.00390594/step, 0.613016 hours remaining, 115.050781 MB of memory in use. ENERGY: 1935000 666.1430 1876.3312 1964.3767 113.9398 1.6951 -1056.1906 0.0000 0.0000 2691.6428 6257.9381 297.2994 3566.2953 6288.0720 300.8838 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: 7778.99, 0.00712739/step Wall: 7778.99, 0.00712739/step, 1.11821 hours remaining, 115.050781 MB of memory in use. ENERGY: 1935200 668.6518 1892.2849 1968.3579 101.2045 2.7174 -1065.7612 0.0000 0.0000 2712.1169 6279.5722 299.5609 3567.4553 6311.7752 302.1482 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: 7779.77, 0.00392614/step Wall: 7779.77, 0.00392614/step, 0.61575 hours remaining, 115.050781 MB of memory in use. ENERGY: 1935400 656.3985 1899.4817 1994.3659 118.8496 1.0230 -1117.2734 0.0000 0.0000 2712.6267 6265.4721 299.6172 3552.8454 6299.5464 304.5698 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: 7780.56, 0.00390817/step Wall: 7780.56, 0.00390817/step, 0.612714 hours remaining, 115.050781 MB of memory in use. ENERGY: 1935600 677.5243 1831.7261 1969.1382 100.9843 2.7526 -1085.9287 0.0000 0.0000 2702.0766 6198.2735 298.4519 3496.1969 6229.4750 301.6544 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: 7781.34, 0.00390709/step Wall: 7781.34, 0.00390709/step, 0.612328 hours remaining, 115.050781 MB of memory in use. ENERGY: 1935800 657.7673 1841.8104 1940.8054 125.4438 1.4250 -1087.2056 0.0000 0.0000 2737.3894 6217.4358 302.3523 3480.0464 6252.4279 300.7020 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: 7782.12, 0.00390839/step Wall: 7782.12, 0.00390839/step, 0.612314 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1936000 597.5166 1921.5346 1947.5510 116.7000 1.2545 -1095.2298 0.0000 0.0000 2709.2008 6198.5278 299.2388 3489.3270 6233.4140 301.1015 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: 7782.9, 0.00390982/step Wall: 7782.9, 0.00390982/step, 0.612321 hours remaining, 115.234375 MB of memory in use. ENERGY: 1936200 645.6787 1870.2249 1946.4385 101.6794 1.9177 -1066.5835 0.0000 0.0000 2696.3510 6195.7066 297.8195 3499.3556 6227.7947 299.8493 LDB: ============= START OF LOAD BALANCING ============== 7785.6 LDB: ============== END OF LOAD BALANCING =============== 7785.6 LDB: =============== DONE WITH MIGRATION ================ 7785.6 LDB: ============= START OF LOAD BALANCING ============== 7785.99 LDB: ============== END OF LOAD BALANCING =============== 7785.99 LDB: =============== DONE WITH MIGRATION ================ 7785.99 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: 7783.68, 0.00390975/step Wall: 7783.68, 0.00390975/step, 0.612093 hours remaining, 115.234375 MB of memory in use. ENERGY: 1936400 668.1492 1875.6176 1966.4683 109.4388 1.4985 -1107.0602 0.0000 0.0000 2748.8377 6262.9500 303.6168 3514.1123 6295.0871 300.7671 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: 7784.46, 0.00390875/step Wall: 7784.46, 0.00390875/step, 0.611719 hours remaining, 115.234375 MB of memory in use. ENERGY: 1936600 644.2768 1861.1692 1956.5391 106.3161 2.0965 -1108.4815 0.0000 0.0000 2756.5511 6218.4674 304.4687 3461.9162 6252.4790 302.9596 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: 7785.25, 0.00390846/step Wall: 7785.25, 0.00390846/step, 0.611457 hours remaining, 115.234375 MB of memory in use. ENERGY: 1936800 672.7416 1870.1861 1939.5764 99.0359 1.7405 -1108.1343 0.0000 0.0000 2750.7601 6225.9063 303.8291 3475.1462 6261.1455 301.6184 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: 7786.03, 0.00390856/step Wall: 7786.03, 0.00390856/step, 0.611255 hours remaining, 115.234375 MB of memory in use. ENERGY: 1937000 687.3309 1821.7359 2001.5592 119.2279 0.2358 -1101.1354 0.0000 0.0000 2711.2972 6240.2515 299.4703 3528.9542 6273.1792 302.3645 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: 7786.81, 0.00390625/step Wall: 7786.81, 0.00390625/step, 0.610678 hours remaining, 115.234375 MB of memory in use. ENERGY: 1937200 637.8282 1907.1273 1977.5526 110.7824 1.4247 -1084.0695 0.0000 0.0000 2692.3353 6242.9810 297.3759 3550.6457 6275.8005 302.5441 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: 7787.59, 0.00391127/step Wall: 7787.59, 0.00391126/step, 0.611243 hours remaining, 115.234375 MB of memory in use. ENERGY: 1937400 654.2972 1836.0792 1984.7819 103.9660 1.5159 -1119.1084 0.0000 0.0000 2733.9183 6195.4502 301.9689 3461.5319 6227.8488 302.5146 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: 7788.37, 0.00391455/step Wall: 7788.37, 0.00391455/step, 0.61154 hours remaining, 115.234375 MB of memory in use. ENERGY: 1937600 653.4867 1848.8638 1990.6288 108.9602 0.6295 -1110.8020 0.0000 0.0000 2717.6045 6209.3716 300.1670 3491.7670 6242.9053 301.4366 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: 7789.16, 0.00390936/step Wall: 7789.16, 0.00390936/step, 0.610512 hours remaining, 115.234375 MB of memory in use. ENERGY: 1937800 645.3790 1830.7653 1970.2929 112.5362 1.1958 -1069.5316 0.0000 0.0000 2731.5038 6222.1414 301.7022 3490.6376 6256.6277 301.1377 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: 7789.94, 0.0039103/step Wall: 7789.94, 0.0039103/step, 0.610441 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1938000 665.1397 1877.5630 1948.6100 99.3598 3.2373 -1088.3129 0.0000 0.0000 2749.2937 6254.8905 303.6671 3505.5968 6287.8184 301.3025 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: 7790.72, 0.00390599/step Wall: 7790.72, 0.00390599/step, 0.609551 hours remaining, 115.234375 MB of memory in use. ENERGY: 1938200 648.3444 1828.7073 1940.5479 99.7090 0.4490 -1086.9461 0.0000 0.0000 2733.9476 6164.7589 301.9721 3430.8114 6197.6398 301.1234 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: 7791.5, 0.0039082/step Wall: 7791.5, 0.0039082/step, 0.609679 hours remaining, 115.234375 MB of memory in use. ENERGY: 1938400 659.7363 1795.8221 1979.2000 108.7109 0.5951 -1072.9506 0.0000 0.0000 2671.9590 6143.0728 295.1253 3471.1138 6176.3441 298.1797 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: 7792.28, 0.00390913/step Wall: 7792.28, 0.00390913/step, 0.609607 hours remaining, 115.234375 MB of memory in use. ENERGY: 1938600 623.1761 1829.9837 1982.8411 108.1054 2.3579 -1075.9743 0.0000 0.0000 2694.6353 6165.1252 297.6300 3470.4899 6196.1909 297.8905 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: 7793.06, 0.00390858/step Wall: 7793.06, 0.00390858/step, 0.609304 hours remaining, 115.234375 MB of memory in use. ENERGY: 1938800 628.8384 1824.5546 1963.8501 104.9633 2.3723 -1055.8456 0.0000 0.0000 2700.6015 6169.3345 298.2890 3468.7330 6202.9548 299.2302 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: 7793.85, 0.00390971/step Wall: 7793.85, 0.00390971/step, 0.609262 hours remaining, 115.234375 MB of memory in use. ENERGY: 1939000 628.1239 1854.3912 1967.3736 107.8446 0.8560 -1065.8742 0.0000 0.0000 2634.0366 6126.7518 290.9367 3492.7152 6156.2321 299.2843 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: 7794.63, 0.00390922/step Wall: 7794.63, 0.00390922/step, 0.60897 hours remaining, 115.234375 MB of memory in use. ENERGY: 1939200 647.5969 1810.5547 1957.8375 115.9600 2.4879 -1106.6708 0.0000 0.0000 2657.6455 6085.4118 293.5443 3427.7663 6119.1672 295.8496 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: 7795.41, 0.00391024/step Wall: 7795.41, 0.00391024/step, 0.608911 hours remaining, 115.234375 MB of memory in use. ENERGY: 1939400 631.3381 1776.5232 1938.2214 118.1262 0.6610 -1079.6175 0.0000 0.0000 2646.1551 6031.4075 292.2752 3385.2524 6061.7838 292.5188 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: 7796.19, 0.00390749/step Wall: 7796.19, 0.00390749/step, 0.608266 hours remaining, 115.234375 MB of memory in use. ENERGY: 1939600 626.1568 1813.0870 1922.1858 103.5420 1.3523 -1070.6231 0.0000 0.0000 2708.3400 6104.0408 299.1437 3395.7008 6137.7226 293.8562 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: 7796.97, 0.00390895/step Wall: 7796.97, 0.00390895/step, 0.608276 hours remaining, 115.234375 MB of memory in use. ENERGY: 1939800 621.6479 1783.0347 1958.0545 101.0840 1.2933 -1107.3221 0.0000 0.0000 2681.1417 6038.9338 296.1396 3357.7921 6073.1210 293.5042 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: 7797.75, 0.00390632/step Wall: 7797.75, 0.00390632/step, 0.60765 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1940000 649.3869 1798.2723 1972.9005 109.6006 1.4781 -1087.3598 0.0000 0.0000 2613.6365 6057.9151 288.6834 3444.2786 6087.9114 291.1193 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1940000 WRITING COORDINATES TO DCD FILE MD.1.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: 7798.58, 0.00413606/step Wall: 7798.58, 0.00413606/step, 0.643157 hours remaining, 115.234375 MB of memory in use. ENERGY: 1940200 645.2473 1807.2943 1979.4621 110.3034 1.1313 -1132.2220 0.0000 0.0000 2677.3942 6088.6106 295.7256 3411.2164 6122.0471 294.2566 LDB: ============= START OF LOAD BALANCING ============== 7801.28 LDB: ============== END OF LOAD BALANCING =============== 7801.28 LDB: =============== DONE WITH MIGRATION ================ 7801.28 LDB: ============= START OF LOAD BALANCING ============== 7801.67 LDB: ============== END OF LOAD BALANCING =============== 7801.67 LDB: =============== DONE WITH MIGRATION ================ 7801.67 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: 7799.36, 0.00391261/step Wall: 7799.36, 0.00391261/step, 0.608193 hours remaining, 115.234375 MB of memory in use. ENERGY: 1940400 649.8059 1861.8993 1940.6271 101.6557 2.1186 -1050.4631 0.0000 0.0000 2662.2083 6167.8518 294.0483 3505.6435 6198.6268 296.9638 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: 7800.15, 0.00390854/step Wall: 7800.15, 0.00390854/step, 0.607343 hours remaining, 115.234375 MB of memory in use. ENERGY: 1940600 675.2154 1820.7456 1947.7617 106.5897 2.1561 -1084.3380 0.0000 0.0000 2754.0380 6222.1685 304.1912 3468.1305 6253.7730 299.5110 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: 7800.93, 0.0039129/step Wall: 7800.93, 0.0039129/step, 0.607804 hours remaining, 115.234375 MB of memory in use. ENERGY: 1940800 670.7134 1837.6939 1953.6047 96.4246 0.9290 -1082.4479 0.0000 0.0000 2679.2027 6156.1203 295.9254 3476.9176 6189.7467 300.7723 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: 7801.71, 0.00391544/step Wall: 7801.71, 0.00391544/step, 0.60798 hours remaining, 115.234375 MB of memory in use. ENERGY: 1941000 678.0820 1770.9964 1946.0462 97.9825 0.5856 -1077.1953 0.0000 0.0000 2689.1078 6105.6053 297.0195 3416.4975 6138.6819 297.3601 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: 7802.49, 0.00391416/step Wall: 7802.49, 0.00391416/step, 0.607565 hours remaining, 115.234375 MB of memory in use. ENERGY: 1941200 647.9930 1816.3744 1963.2123 106.9222 -0.2984 -1103.3850 0.0000 0.0000 2642.7273 6073.5457 291.8966 3430.8185 6106.7263 295.1737 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: 7803.28, 0.00391118/step Wall: 7803.28, 0.00391119/step, 0.606886 hours remaining, 115.234375 MB of memory in use. ENERGY: 1941400 635.5560 1775.2925 1950.4482 118.6136 0.7276 -1092.0807 0.0000 0.0000 2719.7774 6108.3346 300.4070 3388.5572 6146.1401 296.6137 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: 7804.06, 0.00390907/step Wall: 7804.06, 0.00390907/step, 0.60634 hours remaining, 115.234375 MB of memory in use. ENERGY: 1941600 633.0492 1782.0431 1982.5824 112.2448 0.2202 -1103.1773 0.0000 0.0000 2701.4204 6108.3828 298.3794 3406.9624 6140.6678 296.9449 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: 7804.84, 0.00390721/step Wall: 7804.84, 0.0039072/step, 0.605834 hours remaining, 115.234375 MB of memory in use. ENERGY: 1941800 673.6860 1822.9628 1976.7141 108.6882 1.5050 -1090.9393 0.0000 0.0000 2678.6229 6171.2397 295.8614 3492.6167 6202.3871 299.1695 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: 7805.62, 0.00390902/step Wall: 7805.62, 0.00390903/step, 0.605899 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1942000 692.5580 1832.8238 1960.9470 129.0574 0.2048 -1164.5452 0.0000 0.0000 2701.3081 6152.3540 298.3670 3451.0459 6183.3199 298.3522 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: 7806.4, 0.00391025/step Wall: 7806.4, 0.00391025/step, 0.605871 hours remaining, 115.234375 MB of memory in use. ENERGY: 1942200 661.3320 1829.7309 1937.0604 107.5457 0.1044 -1126.8546 0.0000 0.0000 2715.5388 6124.4578 299.9388 3408.9189 6157.2247 298.1078 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: 7807.19, 0.00391008/step Wall: 7807.19, 0.00391008/step, 0.605627 hours remaining, 115.234375 MB of memory in use. ENERGY: 1942400 681.2325 1866.7127 1921.0339 106.3962 0.2472 -1108.1514 0.0000 0.0000 2664.7286 6132.1997 294.3267 3467.4711 6162.2491 296.0581 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: 7807.97, 0.00391009/step Wall: 7807.97, 0.00391009/step, 0.605412 hours remaining, 115.234375 MB of memory in use. ENERGY: 1942600 619.1283 1799.5144 1961.2423 114.0124 0.2637 -1121.7550 0.0000 0.0000 2796.5038 6168.9099 308.8816 3372.4061 6203.2987 299.5506 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: 7808.75, 0.00390719/step Wall: 7808.75, 0.00390719/step, 0.604746 hours remaining, 115.234375 MB of memory in use. ENERGY: 1942800 645.8778 1788.3019 1977.4024 113.0292 1.3245 -1087.5387 0.0000 0.0000 2707.0048 6145.4018 298.9962 3438.3970 6176.2269 299.5439 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: 7809.53, 0.00391434/step Wall: 7809.53, 0.00391434/step, 0.605636 hours remaining, 115.234375 MB of memory in use. ENERGY: 1943000 671.9798 1831.1324 1985.5851 107.2835 1.0934 -1093.8486 0.0000 0.0000 2709.0102 6212.2358 299.2177 3503.2257 6241.7794 299.7757 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: 7810.31, 0.0039106/step Wall: 7810.31, 0.0039106/step, 0.60484 hours remaining, 115.234375 MB of memory in use. ENERGY: 1943200 657.9458 1890.8511 1926.7332 110.2873 0.0233 -1106.0533 0.0000 0.0000 2698.2636 6178.0508 298.0307 3479.7872 6210.8703 299.2078 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: 7811.1, 0.0039117/step Wall: 7811.1, 0.0039117/step, 0.604792 hours remaining, 115.234375 MB of memory in use. ENERGY: 1943400 693.2716 1854.6967 1943.0999 99.7817 0.0294 -1119.9436 0.0000 0.0000 2731.6504 6202.5861 301.7184 3470.9358 6234.4278 300.3902 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: 7811.88, 0.00390542/step Wall: 7811.88, 0.00390542/step, 0.603604 hours remaining, 115.234375 MB of memory in use. ENERGY: 1943600 636.9179 1866.5066 1984.3457 103.7316 -0.0630 -1072.1193 0.0000 0.0000 2652.1644 6171.4839 292.9389 3519.3195 6203.9974 300.2692 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: 7812.66, 0.00390901/step Wall: 7812.66, 0.00390901/step, 0.603943 hours remaining, 115.234375 MB of memory in use. ENERGY: 1943800 633.7024 1937.4368 1960.4193 105.0816 1.9631 -1073.9413 0.0000 0.0000 2642.9676 6207.6296 291.9231 3564.6620 6235.2550 299.1594 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: 7813.44, 0.00390974/step Wall: 7813.44, 0.00390974/step, 0.603837 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1944000 636.9112 1840.0852 1991.1578 123.9569 1.7981 -1061.5647 0.0000 0.0000 2702.4906 6234.8352 298.4976 3532.3446 6271.0200 301.1401 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: 7814.22, 0.00390859/step Wall: 7814.22, 0.00390859/step, 0.603442 hours remaining, 115.234375 MB of memory in use. ENERGY: 1944200 697.6792 1868.3357 1972.3723 90.9492 1.6169 -1124.8515 0.0000 0.0000 2733.8983 6240.0001 301.9667 3506.1018 6270.5089 301.5504 LDB: ============= START OF LOAD BALANCING ============== 7816.92 LDB: ============== END OF LOAD BALANCING =============== 7816.92 LDB: =============== DONE WITH MIGRATION ================ 7816.92 LDB: ============= START OF LOAD BALANCING ============== 7817.31 LDB: ============== END OF LOAD BALANCING =============== 7817.31 LDB: =============== DONE WITH MIGRATION ================ 7817.31 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: 7815.01, 0.00391284/step Wall: 7815.01, 0.00391284/step, 0.603881 hours remaining, 115.234375 MB of memory in use. ENERGY: 1944400 655.7099 1824.4380 1975.8106 111.5286 0.7433 -1100.4104 0.0000 0.0000 2747.7064 6215.5264 303.4918 3467.8200 6248.8500 301.8434 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: 7815.79, 0.00390383/step Wall: 7815.79, 0.00390383/step, 0.602275 hours remaining, 115.234375 MB of memory in use. ENERGY: 1944600 637.0013 1833.4320 1940.7173 99.3640 0.1308 -1104.7553 0.0000 0.0000 2662.8459 6068.7359 294.1187 3405.8900 6101.6257 297.2433 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: 7816.57, 0.00390916/step Wall: 7816.57, 0.00390916/step, 0.602879 hours remaining, 115.234375 MB of memory in use. ENERGY: 1944800 606.3344 1849.5507 1932.5627 112.2177 -0.6473 -1079.7719 0.0000 0.0000 2665.9469 6086.1932 294.4613 3420.2463 6115.2863 292.7240 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: 7817.35, 0.00390878/step Wall: 7817.35, 0.00390878/step, 0.602604 hours remaining, 115.234375 MB of memory in use. ENERGY: 1945000 660.8793 1820.4561 1921.9369 102.2623 1.2711 -1105.3213 0.0000 0.0000 2638.4068 6039.8912 291.4194 3401.4844 6075.0085 294.1741 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: 7818.13, 0.00390759/step Wall: 7818.13, 0.00390759/step, 0.602202 hours remaining, 115.234375 MB of memory in use. ENERGY: 1945200 627.3576 1806.7327 1970.3957 107.6840 2.4068 -1120.5998 0.0000 0.0000 2699.9159 6093.8928 298.2132 3393.9770 6127.6077 294.1446 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: 7818.91, 0.00390889/step Wall: 7818.91, 0.00390889/step, 0.602186 hours remaining, 115.234375 MB of memory in use. ENERGY: 1945400 641.8659 1855.2219 1913.5388 122.2260 1.1436 -1099.1328 0.0000 0.0000 2689.3428 6124.2061 297.0454 3434.8634 6157.6480 297.2005 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: 7819.69, 0.00390479/step Wall: 7819.69, 0.00390479/step, 0.601338 hours remaining, 115.234375 MB of memory in use. ENERGY: 1945600 691.0584 1852.5646 1958.3278 114.3702 1.1000 -1107.8860 0.0000 0.0000 2653.1297 6162.6648 293.0456 3509.5351 6191.6097 298.6905 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: 7820.48, 0.00391039/step Wall: 7820.48, 0.00391039/step, 0.601984 hours remaining, 115.234375 MB of memory in use. ENERGY: 1945800 671.6640 1844.1655 1951.7510 107.1830 0.1626 -1118.1968 0.0000 0.0000 2730.2287 6186.9579 301.5614 3456.7292 6219.1934 299.8691 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: 7821.26, 0.0039096/step Wall: 7821.26, 0.0039096/step, 0.601645 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1946000 657.3181 1823.9468 1992.3226 113.6277 1.0547 -1134.5565 0.0000 0.0000 2736.9957 6190.7092 302.3088 3453.7135 6225.9583 301.6356 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: 7822.04, 0.00391075/step Wall: 7822.04, 0.00391075/step, 0.601604 hours remaining, 115.234375 MB of memory in use. ENERGY: 1946200 696.4823 1830.9695 1928.4020 108.4659 -0.1262 -1105.8972 0.0000 0.0000 2681.0542 6139.3507 296.1299 3458.2964 6171.5688 299.4351 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: 7822.82, 0.00390736/step Wall: 7822.82, 0.00390736/step, 0.600865 hours remaining, 115.234375 MB of memory in use. ENERGY: 1946400 633.8338 1889.1583 1923.6057 127.3374 0.0272 -1115.0519 0.0000 0.0000 2700.0966 6159.0071 298.2332 3458.9105 6192.3141 297.6093 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: 7823.6, 0.00391135/step Wall: 7823.6, 0.00391135/step, 0.601261 hours remaining, 115.234375 MB of memory in use. ENERGY: 1946600 631.8389 1848.2162 1949.7782 110.7955 1.3950 -1079.8943 0.0000 0.0000 2721.3618 6183.4913 300.5820 3462.1295 6217.2013 298.2771 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: 7824.39, 0.00391057/step Wall: 7824.39, 0.00391057/step, 0.600924 hours remaining, 115.234375 MB of memory in use. ENERGY: 1946800 647.2500 1795.5103 1963.3710 97.7538 1.4244 -1083.1378 0.0000 0.0000 2738.9030 6161.0747 302.5195 3422.1717 6194.7217 298.6653 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: 7825.17, 0.00391017/step Wall: 7825.17, 0.00391017/step, 0.600645 hours remaining, 115.234375 MB of memory in use. ENERGY: 1947000 672.2272 1777.5377 1925.8118 101.7958 1.7651 -1118.9939 0.0000 0.0000 2774.5239 6134.6675 306.4539 3360.1436 6172.1162 297.3473 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: 7825.95, 0.00391115/step Wall: 7825.95, 0.00391115/step, 0.600579 hours remaining, 115.234375 MB of memory in use. ENERGY: 1947200 703.0551 1883.6057 1942.4443 117.9260 0.4407 -1125.8636 0.0000 0.0000 2698.9232 6220.5313 298.1036 3521.6082 6251.2336 301.8588 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: 7826.73, 0.00390711/step Wall: 7826.73, 0.00390711/step, 0.599742 hours remaining, 115.234375 MB of memory in use. ENERGY: 1947400 679.4035 1849.6853 1935.3581 119.5237 0.0216 -1083.1519 0.0000 0.0000 2711.2682 6212.1085 299.4671 3500.8403 6243.1824 303.4973 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: 7827.51, 0.00390896/step Wall: 7827.51, 0.00390896/step, 0.599808 hours remaining, 115.234375 MB of memory in use. ENERGY: 1947600 684.9828 1874.0460 1949.2980 107.5644 0.2707 -1069.2474 0.0000 0.0000 2664.9323 6211.8468 294.3492 3546.9145 6241.8351 301.1471 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: 7828.3, 0.00391131/step Wall: 7828.3, 0.00391131/step, 0.599952 hours remaining, 115.234375 MB of memory in use. ENERGY: 1947800 672.0686 1814.5529 1945.3566 127.4437 0.1245 -1058.1614 0.0000 0.0000 2706.8689 6208.2539 298.9812 3501.3850 6239.8587 300.0767 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: 7829.08, 0.00390961/step Wall: 7829.08, 0.00390961/step, 0.599473 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1948000 668.4204 1850.4792 1950.2005 124.0275 0.5422 -1105.6762 0.0000 0.0000 2707.7128 6195.7063 299.0744 3487.9936 6228.1316 300.6046 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: 7829.86, 0.00390731/step Wall: 7829.86, 0.00390731/step, 0.598904 hours remaining, 115.234375 MB of memory in use. ENERGY: 1948200 663.9416 1867.3215 1960.2878 98.5617 0.2008 -1106.1721 0.0000 0.0000 2671.9893 6156.1305 295.1287 3484.1413 6187.3750 300.0974 LDB: ============= START OF LOAD BALANCING ============== 7832.56 LDB: ============== END OF LOAD BALANCING =============== 7832.56 LDB: =============== DONE WITH MIGRATION ================ 7832.56 LDB: ============= START OF LOAD BALANCING ============== 7832.95 LDB: ============== END OF LOAD BALANCING =============== 7832.95 LDB: =============== DONE WITH MIGRATION ================ 7832.95 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: 7830.64, 0.00391335/step Wall: 7830.64, 0.00391335/step, 0.599613 hours remaining, 115.234375 MB of memory in use. ENERGY: 1948400 679.7187 1813.7506 1952.5462 110.7847 0.7545 -1098.1971 0.0000 0.0000 2715.2123 6174.5698 299.9028 3459.3576 6207.8559 298.5093 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: 7831.42, 0.00391141/step Wall: 7831.42, 0.00391141/step, 0.599097 hours remaining, 115.234375 MB of memory in use. ENERGY: 1948600 684.7772 1812.8795 1942.2795 97.6511 0.9398 -1107.6458 0.0000 0.0000 2706.2033 6137.0845 298.9077 3430.8812 6168.3643 297.4448 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: 7832.21, 0.00390991/step Wall: 7832.21, 0.00390991/step, 0.598651 hours remaining, 115.234375 MB of memory in use. ENERGY: 1948800 671.7593 1784.5127 1953.4546 110.8511 1.6163 -1088.5217 0.0000 0.0000 2691.9130 6125.5853 297.3293 3433.6724 6157.9536 297.2491 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: 7832.99, 0.00391158/step Wall: 7832.99, 0.00391158/step, 0.59869 hours remaining, 115.234375 MB of memory in use. ENERGY: 1949000 641.1861 1830.5592 1981.3239 105.4097 -0.0993 -1085.6116 0.0000 0.0000 2661.4973 6134.2653 293.9698 3472.7680 6167.5369 297.7999 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: 7833.77, 0.0039093/step Wall: 7833.77, 0.0039093/step, 0.598123 hours remaining, 115.234375 MB of memory in use. ENERGY: 1949200 639.6843 1891.3061 1975.4002 99.5228 1.8800 -1091.9381 0.0000 0.0000 2586.6943 6102.5495 285.7076 3515.8553 6134.8069 295.1903 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: 7834.55, 0.00391362/step Wall: 7834.55, 0.00391362/step, 0.598566 hours remaining, 115.234375 MB of memory in use. ENERGY: 1949400 643.9316 1820.4032 1951.8704 96.0287 1.8990 -1110.3485 0.0000 0.0000 2735.6116 6139.3961 302.1559 3403.7845 6172.7238 294.4248 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: 7835.34, 0.00391122/step Wall: 7835.34, 0.00391122/step, 0.597981 hours remaining, 115.234375 MB of memory in use. ENERGY: 1949600 627.3860 1859.1084 1951.0658 110.3869 1.4182 -1126.2281 0.0000 0.0000 2707.9578 6131.0949 299.1015 3423.1371 6161.0486 296.6262 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: 7836.12, 0.00391276/step Wall: 7836.12, 0.00391276/step, 0.598001 hours remaining, 115.234375 MB of memory in use. ENERGY: 1949800 660.4173 1802.3197 1947.0314 95.1141 0.9802 -1109.0894 0.0000 0.0000 2719.2915 6116.0649 300.3533 3396.7734 6149.6655 296.0522 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: 7836.9, 0.00390755/step Wall: 7836.9, 0.00390755/step, 0.596987 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1950000 644.1669 1842.1484 1959.0035 120.5361 0.5913 -1109.9760 0.0000 0.0000 2762.9220 6219.3922 305.1724 3456.4702 6253.1653 298.3360 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1950000 WRITING COORDINATES TO DCD FILE MD.1.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: 7837.77, 0.00436395/step Wall: 7837.77, 0.00436395/step, 0.666472 hours remaining, 115.234375 MB of memory in use. ENERGY: 1950200 630.0903 1875.1943 1928.1931 98.2724 1.0026 -1071.9690 0.0000 0.0000 2748.1952 6208.9789 303.5458 3460.7836 6241.7329 301.7467 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: 7838.56, 0.00392417/step Wall: 7838.56, 0.00392417/step, 0.599091 hours remaining, 115.234375 MB of memory in use. ENERGY: 1950400 673.0881 1837.6960 1942.5214 116.0515 1.0526 -1087.4355 0.0000 0.0000 2744.6552 6227.6293 303.1548 3482.9741 6262.3730 301.1762 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: 7839.34, 0.00391325/step Wall: 7839.34, 0.00391325/step, 0.597205 hours remaining, 115.234375 MB of memory in use. ENERGY: 1950600 645.4623 1850.6410 1965.0177 105.8412 0.5100 -1097.7166 0.0000 0.0000 2719.2381 6188.9938 300.3474 3469.7556 6223.8576 300.8454 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: 7840.12, 0.0039103/step Wall: 7840.12, 0.0039103/step, 0.596538 hours remaining, 115.234375 MB of memory in use. ENERGY: 1950800 665.0088 1832.9553 1958.0480 113.4040 1.0979 -1104.1568 0.0000 0.0000 2747.3762 6213.7335 303.4554 3466.3573 6244.5251 300.8080 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: 7840.9, 0.00390754/step Wall: 7840.9, 0.00390754/step, 0.595901 hours remaining, 115.234375 MB of memory in use. ENERGY: 1951000 650.3768 1873.8838 1948.9774 114.9577 1.5377 -1077.7541 0.0000 0.0000 2701.5925 6213.5717 298.3984 3511.9792 6245.7604 300.6000 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: 7841.69, 0.0039114/step Wall: 7841.69, 0.0039114/step, 0.59627 hours remaining, 115.234375 MB of memory in use. ENERGY: 1951200 677.0090 1875.9931 1957.1686 99.7327 1.3363 -1123.8944 0.0000 0.0000 2720.6861 6208.0313 300.5074 3487.3453 6240.7476 301.0850 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: 7842.47, 0.00391403/step Wall: 7842.47, 0.00391403/step, 0.596455 hours remaining, 115.234375 MB of memory in use. ENERGY: 1951400 667.9548 1914.5076 1949.6498 111.6754 1.7694 -1096.6079 0.0000 0.0000 2712.3968 6261.3458 299.5918 3548.9491 6294.8183 302.7193 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: 7843.25, 0.00391198/step Wall: 7843.25, 0.00391198/step, 0.595924 hours remaining, 115.234375 MB of memory in use. ENERGY: 1951600 642.3602 1843.8926 1952.8161 105.4774 1.0838 -1085.6638 0.0000 0.0000 2840.7604 6300.7266 313.7699 3459.9662 6337.4445 303.9783 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: 7844.03, 0.00391031/step Wall: 7844.03, 0.00391031/step, 0.595453 hours remaining, 115.234375 MB of memory in use. ENERGY: 1951800 685.4676 1903.3936 1965.1049 105.0939 2.0945 -1048.0014 0.0000 0.0000 2695.3375 6308.4905 297.7075 3613.1531 6337.2976 304.5118 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: 7844.81, 0.00390656/step Wall: 7844.81, 0.00390656/step, 0.594665 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1952000 668.0212 1838.7437 1960.9685 98.1976 3.2918 -1072.8500 0.0000 0.0000 2770.6243 6266.9971 306.0232 3496.3728 6301.2451 304.5851 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: 7845.6, 0.00391/step Wall: 7845.6, 0.00391/step, 0.594972 hours remaining, 115.234375 MB of memory in use. ENERGY: 1952200 671.3925 1881.4872 1961.1304 107.4904 1.2831 -1088.2438 0.0000 0.0000 2702.7819 6237.3217 298.5298 3534.5398 6266.4691 304.2381 LDB: ============= START OF LOAD BALANCING ============== 7848.3 LDB: ============== END OF LOAD BALANCING =============== 7848.3 LDB: =============== DONE WITH MIGRATION ================ 7848.3 LDB: ============= START OF LOAD BALANCING ============== 7848.69 LDB: ============== END OF LOAD BALANCING =============== 7848.69 LDB: =============== DONE WITH MIGRATION ================ 7848.69 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: 7846.38, 0.00391537/step Wall: 7846.38, 0.00391537/step, 0.595571 hours remaining, 115.234375 MB of memory in use. ENERGY: 1952400 659.5454 1806.1425 1945.7425 108.0572 1.8395 -1089.2542 0.0000 0.0000 2725.8221 6157.8950 301.0746 3432.0730 6193.2931 302.1668 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: 7847.16, 0.00391447/step Wall: 7847.16, 0.00391447/step, 0.595216 hours remaining, 115.234375 MB of memory in use. ENERGY: 1952600 642.5448 1794.1626 1942.1214 105.7806 1.8810 -1086.8027 0.0000 0.0000 2774.4529 6174.1406 306.4461 3399.6877 6207.8363 299.3073 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: 7847.94, 0.00391023/step Wall: 7847.94, 0.00391023/step, 0.594355 hours remaining, 115.234375 MB of memory in use. ENERGY: 1952800 663.7742 1811.1159 1963.4151 110.9316 1.8441 -1097.2745 0.0000 0.0000 2736.5209 6190.3273 302.2564 3453.8064 6225.5776 299.0928 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: 7848.73, 0.00391251/step Wall: 7848.73, 0.00391251/step, 0.594484 hours remaining, 115.234375 MB of memory in use. ENERGY: 1953000 686.3121 1835.0019 1941.1839 105.2273 0.1159 -1069.5953 0.0000 0.0000 2675.4967 6173.7425 295.5161 3498.2458 6205.2953 300.5878 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: 7849.51, 0.0039133/step Wall: 7849.51, 0.0039133/step, 0.594387 hours remaining, 115.234375 MB of memory in use. ENERGY: 1953200 681.1023 1839.1323 1934.5840 115.2911 1.2970 -1088.3029 0.0000 0.0000 2737.0912 6220.1951 302.3193 3483.1040 6252.4562 301.7735 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: 7850.29, 0.00391103/step Wall: 7850.29, 0.00391103/step, 0.593825 hours remaining, 115.234375 MB of memory in use. ENERGY: 1953400 658.0793 1815.4610 1962.1684 108.0039 1.6714 -1066.3056 0.0000 0.0000 2772.1561 6251.2345 306.1924 3479.0784 6286.3530 302.1255 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: 7851.07, 0.00390979/step Wall: 7851.07, 0.00390979/step, 0.593419 hours remaining, 115.234375 MB of memory in use. ENERGY: 1953600 661.6842 1826.7317 1954.1265 116.0194 1.9321 -1094.1284 0.0000 0.0000 2746.0914 6212.4570 303.3134 3466.3656 6244.3780 301.7779 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: 7851.86, 0.00390914/step Wall: 7851.86, 0.00390914/step, 0.593104 hours remaining, 115.234375 MB of memory in use. ENERGY: 1953800 652.4129 1871.6074 1974.9025 122.9252 1.1584 -1094.2658 0.0000 0.0000 2746.7730 6275.5137 303.3887 3528.7407 6308.7146 302.7979 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: 7852.64, 0.00391243/step Wall: 7852.64, 0.00391243/step, 0.593385 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1954000 698.0191 1851.0191 1942.6638 115.4531 2.0055 -1086.4665 0.0000 0.0000 2735.1222 6257.8162 302.1019 3522.6940 6289.9637 303.2310 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: 7853.42, 0.00391098/step Wall: 7853.42, 0.00391098/step, 0.592948 hours remaining, 115.234375 MB of memory in use. ENERGY: 1954200 695.0734 1860.9555 1915.5732 113.7377 -0.6852 -1069.4087 0.0000 0.0000 2710.9789 6226.2248 299.4352 3515.2459 6262.2639 301.3083 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: 7854.2, 0.00390796/step Wall: 7854.2, 0.00390796/step, 0.592272 hours remaining, 115.234375 MB of memory in use. ENERGY: 1954400 640.8723 1829.6805 1983.1448 107.7220 -0.3703 -1029.9111 0.0000 0.0000 2693.2135 6224.3516 297.4729 3531.1381 6254.4336 301.8423 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: 7854.98, 0.00390846/step Wall: 7854.98, 0.00390846/step, 0.592132 hours remaining, 115.234375 MB of memory in use. ENERGY: 1954600 669.2914 1847.3117 1914.5712 114.5212 1.0281 -1065.8645 0.0000 0.0000 2667.0365 6147.8956 294.5816 3480.8591 6180.0326 298.6603 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: 7855.76, 0.00390579/step Wall: 7855.76, 0.00390579/step, 0.59151 hours remaining, 115.234375 MB of memory in use. ENERGY: 1954800 656.3260 1821.0169 1962.6573 102.0390 -0.1478 -1103.6114 0.0000 0.0000 2674.6252 6112.9052 295.4198 3438.2800 6145.9884 295.5444 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: 7856.55, 0.00390986/step Wall: 7856.55, 0.00390986/step, 0.59191 hours remaining, 115.234375 MB of memory in use. ENERGY: 1955000 634.6410 1792.4604 1935.3384 95.0120 0.9578 -1108.0767 0.0000 0.0000 2697.1494 6047.4822 297.9077 3350.3328 6083.0901 292.7980 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: 7857.33, 0.00391076/step Wall: 7857.33, 0.00391076/step, 0.591828 hours remaining, 115.234375 MB of memory in use. ENERGY: 1955200 658.3690 1795.6334 1944.7580 121.8951 2.0747 -1111.3960 0.0000 0.0000 2613.4026 6024.7368 288.6576 3411.3341 6055.7665 292.3291 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: 7858.11, 0.00391382/step Wall: 7858.11, 0.00391382/step, 0.592075 hours remaining, 115.234375 MB of memory in use. ENERGY: 1955400 647.0681 1801.5653 1939.9545 107.5343 1.6175 -1092.7839 0.0000 0.0000 2652.0484 6057.0042 292.9261 3404.9558 6092.1341 292.2243 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: 7858.89, 0.0039092/step Wall: 7858.89, 0.0039092/step, 0.591158 hours remaining, 115.234375 MB of memory in use. ENERGY: 1955600 641.6009 1823.8501 1958.3564 106.2502 1.9485 -1099.5421 0.0000 0.0000 2643.0948 6075.5588 291.9372 3432.4639 6108.8513 292.5694 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: 7859.68, 0.00391314/step Wall: 7859.68, 0.00391314/step, 0.591536 hours remaining, 115.234375 MB of memory in use. ENERGY: 1955800 639.0227 1845.7865 1938.3146 106.0382 2.5227 -1074.3016 0.0000 0.0000 2673.7529 6131.1359 295.3235 3457.3830 6165.6170 294.8618 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: 7860.46, 0.00391326/step Wall: 7860.46, 0.00391326/step, 0.591336 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1956000 623.8577 1850.7409 2000.8066 114.4234 2.2936 -1108.3497 0.0000 0.0000 2746.9222 6230.6947 303.4052 3483.7725 6265.8862 298.8677 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: 7861.24, 0.003915/step Wall: 7861.24, 0.003915/step, 0.591383 hours remaining, 115.234375 MB of memory in use. ENERGY: 1956200 645.3495 1849.0988 1943.5064 111.2016 1.5263 -1104.4354 0.0000 0.0000 2727.7095 6173.9568 301.2831 3446.2473 6205.3727 301.5621 LDB: ============= START OF LOAD BALANCING ============== 7863.94 LDB: ============== END OF LOAD BALANCING =============== 7863.94 LDB: =============== DONE WITH MIGRATION ================ 7863.94 LDB: ============= START OF LOAD BALANCING ============== 7864.33 LDB: ============== END OF LOAD BALANCING =============== 7864.33 LDB: =============== DONE WITH MIGRATION ================ 7864.33 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: 7862.03, 0.00391995/step Wall: 7862.03, 0.00391995/step, 0.591912 hours remaining, 115.234375 MB of memory in use. ENERGY: 1956400 657.9774 1821.1723 1942.0787 113.6963 1.7267 -1102.3257 0.0000 0.0000 2771.1217 6205.4473 306.0781 3434.3256 6240.8284 301.7605 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: 7862.81, 0.0039089/step Wall: 7862.81, 0.0039089/step, 0.590027 hours remaining, 115.234375 MB of memory in use. ENERGY: 1956600 623.9738 1891.9892 1941.8982 92.3503 2.1375 -1045.6455 0.0000 0.0000 2696.8919 6203.5953 297.8792 3506.7035 6232.4438 301.7383 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: 7863.59, 0.00391293/step Wall: 7863.59, 0.00391293/step, 0.590417 hours remaining, 115.234375 MB of memory in use. ENERGY: 1956800 623.4370 1842.3590 1970.4515 101.5249 1.6464 -1061.4016 0.0000 0.0000 2788.5777 6266.5949 308.0062 3478.0172 6300.5603 301.6457 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: 7864.37, 0.00391518/step Wall: 7864.37, 0.00391518/step, 0.59054 hours remaining, 115.234375 MB of memory in use. ENERGY: 1957000 645.2463 1848.2909 1925.5838 103.6796 1.4689 -1014.8057 0.0000 0.0000 2757.2034 6266.6671 304.5408 3509.4638 6299.2936 300.8384 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: 7865.16, 0.00391449/step Wall: 7865.16, 0.00391449/step, 0.590218 hours remaining, 115.234375 MB of memory in use. ENERGY: 1957200 653.3291 1874.9407 1938.9796 108.0330 1.7810 -1051.4683 0.0000 0.0000 2722.5974 6248.1926 300.7185 3525.5952 6277.6389 303.3663 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: 7865.94, 0.00390766/step Wall: 7865.94, 0.00390766/step, 0.588971 hours remaining, 115.234375 MB of memory in use. ENERGY: 1957400 650.7723 1886.5923 1935.4015 114.2320 2.2187 -1065.4449 0.0000 0.0000 2686.5374 6210.3093 296.7355 3523.7719 6242.0432 301.1035 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: 7866.72, 0.00391415/step Wall: 7866.72, 0.00391415/step, 0.589732 hours remaining, 115.234375 MB of memory in use. ENERGY: 1957600 662.2739 1853.2685 1944.4310 119.9032 -0.1840 -1047.8513 0.0000 0.0000 2707.0508 6238.8920 299.0013 3531.8412 6269.9889 302.1491 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: 7867.5, 0.00391308/step Wall: 7867.5, 0.00391308/step, 0.589354 hours remaining, 115.234375 MB of memory in use. ENERGY: 1957800 630.5134 1881.0495 1956.7266 102.4560 1.0288 -1083.7257 0.0000 0.0000 2754.0688 6242.1173 304.1946 3488.0485 6276.5157 302.9859 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: 7868.29, 0.00391431/step Wall: 7868.29, 0.00391431/step, 0.589321 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1958000 641.1407 1873.1754 1996.1401 95.4439 0.4358 -1084.0575 0.0000 0.0000 2694.7140 6216.9924 297.6387 3522.2784 6246.0515 303.4296 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: 7869.07, 0.00391299/step Wall: 7869.07, 0.00391299/step, 0.588905 hours remaining, 115.234375 MB of memory in use. ENERGY: 1958200 663.5203 1821.8350 1950.9792 101.9764 1.1724 -1083.5494 0.0000 0.0000 2730.7899 6186.7237 301.6234 3455.9338 6219.2572 300.4971 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: 7869.85, 0.0039134/step Wall: 7869.85, 0.0039134/step, 0.588749 hours remaining, 115.234375 MB of memory in use. ENERGY: 1958400 669.0274 1838.8560 1955.4043 109.2575 1.4865 -1083.5014 0.0000 0.0000 2737.4958 6228.0260 302.3640 3490.5303 6261.5936 299.7990 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: 7870.63, 0.0039152/step Wall: 7870.63, 0.0039152/step, 0.588803 hours remaining, 115.234375 MB of memory in use. ENERGY: 1958600 678.9796 1832.1430 1998.7686 118.6811 0.6063 -1099.1929 0.0000 0.0000 2696.3283 6226.3139 297.8170 3529.9856 6259.2274 302.0196 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: 7871.42, 0.00391145/step Wall: 7871.42, 0.00391145/step, 0.588021 hours remaining, 115.234375 MB of memory in use. ENERGY: 1958800 656.9921 1813.5656 1965.3860 103.7611 -0.1738 -1054.0981 0.0000 0.0000 2682.0190 6167.4520 296.2365 3485.4330 6201.3015 300.2671 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: 7872.2, 0.00390939/step Wall: 7872.2, 0.00390939/step, 0.587494 hours remaining, 115.234375 MB of memory in use. ENERGY: 1959000 628.8528 1777.0675 1964.8944 108.4899 1.0959 -1064.9733 0.0000 0.0000 2750.9167 6166.3439 303.8464 3415.4272 6201.5136 299.4807 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: 7872.98, 0.00390559/step Wall: 7872.98, 0.00390559/step, 0.586706 hours remaining, 115.234375 MB of memory in use. ENERGY: 1959200 665.6636 1824.8258 1928.7562 104.8011 2.2935 -1055.8730 0.0000 0.0000 2649.3816 6119.8489 292.6316 3470.4673 6150.6951 295.8657 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: 7873.76, 0.00391098/step Wall: 7873.76, 0.00391098/step, 0.587299 hours remaining, 115.234375 MB of memory in use. ENERGY: 1959400 622.9569 1850.4708 1928.6343 112.6956 1.5839 -1062.3617 0.0000 0.0000 2662.5722 6116.5519 294.0885 3453.9798 6148.3332 296.1436 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: 7874.54, 0.00391087/step Wall: 7874.54, 0.00391087/step, 0.587064 hours remaining, 115.234375 MB of memory in use. ENERGY: 1959600 672.4540 1870.2854 1967.4370 105.1987 -0.1430 -1091.8639 0.0000 0.0000 2684.5532 6207.9215 296.5164 3523.3682 6239.7747 297.4697 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: 7875.33, 0.00391104/step Wall: 7875.33, 0.00391104/step, 0.586873 hours remaining, 115.234375 MB of memory in use. ENERGY: 1959800 627.0892 1846.4849 1960.4533 112.7731 0.7026 -1057.9509 0.0000 0.0000 2689.2430 6178.7952 297.0344 3489.5522 6211.2841 300.0873 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: 7876.11, 0.00391231/step Wall: 7876.11, 0.00391231/step, 0.586846 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1960000 655.4693 1829.9209 1988.4086 102.9913 0.3955 -1092.8090 0.0000 0.0000 2708.9703 6193.3470 299.2133 3484.3767 6227.5783 298.4442 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1960000 WRITING COORDINATES TO DCD FILE MD.1.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: 7876.93, 0.00411352/step Wall: 7876.93, 0.00411352/step, 0.616799 hours remaining, 115.234375 MB of memory in use. ENERGY: 1960200 642.3841 1805.4013 1939.2814 106.8106 0.5241 -1041.0719 0.0000 0.0000 2750.5653 6203.8950 303.8076 3453.3297 6236.3120 298.8325 LDB: ============= START OF LOAD BALANCING ============== 7879.63 LDB: ============== END OF LOAD BALANCING =============== 7879.63 LDB: =============== DONE WITH MIGRATION ================ 7879.63 LDB: ============= START OF LOAD BALANCING ============== 7880.02 LDB: ============== END OF LOAD BALANCING =============== 7880.02 LDB: =============== DONE WITH MIGRATION ================ 7880.02 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: 7877.71, 0.00391638/step Wall: 7877.71, 0.00391638/step, 0.587022 hours remaining, 115.234375 MB of memory in use. ENERGY: 1960400 709.8329 1859.9299 1936.7497 86.5950 0.3730 -1075.9396 0.0000 0.0000 2660.7604 6178.3013 293.8884 3517.5408 6209.4131 299.4485 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: 7878.5, 0.00392132/step Wall: 7878.5, 0.00392132/step, 0.587545 hours remaining, 115.234375 MB of memory in use. ENERGY: 1960600 661.4711 1873.8681 1937.8007 102.2190 -0.1632 -1108.2188 0.0000 0.0000 2720.7695 6187.7465 300.5166 3466.9769 6220.5413 299.2207 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: 7879.28, 0.00391099/step Wall: 7879.28, 0.00391099/step, 0.585779 hours remaining, 115.234375 MB of memory in use. ENERGY: 1960800 646.1208 1831.4642 1973.1158 120.4002 -0.0026 -1074.0837 0.0000 0.0000 2675.1977 6172.2125 295.4830 3497.0148 6203.9245 299.7733 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: 7880.06, 0.00391015/step Wall: 7880.06, 0.00391015/step, 0.585436 hours remaining, 115.234375 MB of memory in use. ENERGY: 1961000 636.4427 1854.7604 1954.5193 103.6419 -0.5908 -1073.2646 0.0000 0.0000 2700.6292 6176.1381 298.2920 3475.5089 6210.9807 299.0741 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: 7880.84, 0.00390811/step Wall: 7880.84, 0.00390811/step, 0.584914 hours remaining, 115.234375 MB of memory in use. ENERGY: 1961200 667.2257 1830.5480 1948.0693 97.3608 -0.4500 -1059.7031 0.0000 0.0000 2759.1440 6242.1948 304.7551 3483.0508 6275.9121 300.0927 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: 7881.63, 0.00391263/step Wall: 7881.63, 0.00391263/step, 0.585372 hours remaining, 115.234375 MB of memory in use. ENERGY: 1961400 639.8878 1926.0563 1928.6010 113.7302 -0.1031 -1087.5060 0.0000 0.0000 2700.9779 6221.6440 298.3305 3520.6662 6254.5226 302.3391 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: 7882.41, 0.00391358/step Wall: 7882.41, 0.00391358/step, 0.585298 hours remaining, 115.234375 MB of memory in use. ENERGY: 1961600 641.1169 1899.6242 1959.9964 134.1510 0.0777 -1098.9477 0.0000 0.0000 2658.7326 6194.7511 293.6644 3536.0185 6223.9528 299.8036 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: 7883.19, 0.00391229/step Wall: 7883.19, 0.00391229/step, 0.584887 hours remaining, 115.234375 MB of memory in use. ENERGY: 1961800 659.9877 1873.5306 1920.3187 107.2673 2.3232 -1072.5469 0.0000 0.0000 2701.3448 6192.2254 298.3711 3490.8805 6224.7969 298.4986 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: 7883.97, 0.0039084/step Wall: 7883.97, 0.0039084/step, 0.584089 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1962000 650.8098 1850.5175 1954.3815 112.4156 -0.7447 -1075.0991 0.0000 0.0000 2686.8169 6179.0977 296.7664 3492.2807 6213.4029 299.6153 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: 7884.76, 0.0039119/step Wall: 7884.76, 0.0039119/step, 0.584394 hours remaining, 115.234375 MB of memory in use. ENERGY: 1962200 684.4490 1839.4227 1972.5280 114.9728 0.2065 -1094.4582 0.0000 0.0000 2675.5196 6192.6404 295.5186 3517.1208 6223.2869 298.9041 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: 7885.54, 0.00391093/step Wall: 7885.54, 0.00391093/step, 0.584032 hours remaining, 115.234375 MB of memory in use. ENERGY: 1962400 674.0681 1844.2937 1935.4494 105.3551 -0.4010 -1061.5647 0.0000 0.0000 2695.9685 6193.1691 297.7772 3497.2006 6227.0833 298.5986 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: 7886.32, 0.00391122/step Wall: 7886.32, 0.00391122/step, 0.583858 hours remaining, 115.234375 MB of memory in use. ENERGY: 1962600 672.0371 1845.9786 1967.5625 105.9846 0.6572 -1102.7632 0.0000 0.0000 2746.2745 6235.7314 303.3337 3489.4569 6269.2915 300.5729 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: 7887.1, 0.00390982/step Wall: 7887.1, 0.00390982/step, 0.583431 hours remaining, 115.234375 MB of memory in use. ENERGY: 1962800 698.1145 1852.9277 1942.8828 118.2908 -0.3226 -1097.9119 0.0000 0.0000 2667.6686 6181.6500 294.6514 3513.9813 6214.8981 299.9201 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: 7887.88, 0.00390648/step Wall: 7887.88, 0.00390648/step, 0.582717 hours remaining, 115.234375 MB of memory in use. ENERGY: 1963000 661.3405 1888.9779 1952.7648 117.4946 0.3629 -1067.5905 0.0000 0.0000 2677.6731 6231.0234 295.7565 3553.3503 6265.3793 300.6614 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: 7888.67, 0.00391173/step Wall: 7888.67, 0.00391173/step, 0.583283 hours remaining, 115.234375 MB of memory in use. ENERGY: 1963200 710.4782 1873.4352 1932.9301 121.8582 0.0599 -1092.0080 0.0000 0.0000 2655.4136 6202.1670 293.2978 3546.7535 6232.7196 299.4605 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: 7889.45, 0.0039083/step Wall: 7889.45, 0.0039083/step, 0.582554 hours remaining, 115.234375 MB of memory in use. ENERGY: 1963400 669.4903 1876.6401 1956.5026 98.3657 -0.6802 -1093.9258 0.0000 0.0000 2701.5511 6207.9437 298.3938 3506.3926 6242.9127 299.9726 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: 7890.23, 0.00390764/step Wall: 7890.23, 0.00390764/step, 0.582238 hours remaining, 115.234375 MB of memory in use. ENERGY: 1963600 666.0963 1941.5912 1937.5892 112.1416 0.7565 -1093.0256 0.0000 0.0000 2701.5927 6266.7420 298.3984 3565.1493 6299.3523 302.2876 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: 7891.01, 0.00390556/step Wall: 7891.01, 0.00390556/step, 0.581711 hours remaining, 115.234375 MB of memory in use. ENERGY: 1963800 670.6248 1909.1594 1944.4347 127.4720 0.7584 -1073.2984 0.0000 0.0000 2691.0555 6270.2065 297.2346 3579.1510 6303.8518 305.3241 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: 7891.79, 0.00390866/step Wall: 7891.79, 0.00390866/step, 0.581956 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1964000 691.3320 1832.7799 1920.6715 112.5020 -0.4897 -1076.2747 0.0000 0.0000 2821.3085 6301.8295 311.6214 3480.5211 6338.5871 303.8644 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: 7892.57, 0.00391004/step Wall: 7892.57, 0.00391004/step, 0.581944 hours remaining, 115.234375 MB of memory in use. ENERGY: 1964200 682.7665 1837.5487 1955.6266 114.6355 0.5615 -1081.7887 0.0000 0.0000 2758.3218 6267.6720 304.6643 3509.3502 6300.3843 303.9794 LDB: ============= START OF LOAD BALANCING ============== 7895.27 LDB: ============== END OF LOAD BALANCING =============== 7895.27 LDB: =============== DONE WITH MIGRATION ================ 7895.27 LDB: ============= START OF LOAD BALANCING ============== 7895.67 LDB: ============== END OF LOAD BALANCING =============== 7895.67 LDB: =============== DONE WITH MIGRATION ================ 7895.67 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: 7893.36, 0.00391562/step Wall: 7893.36, 0.00391562/step, 0.582557 hours remaining, 115.234375 MB of memory in use. ENERGY: 1964400 665.7045 1860.5446 1943.8567 121.7961 1.2990 -1050.3027 0.0000 0.0000 2779.0666 6321.9649 306.9557 3542.8983 6357.0624 304.8456 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: 7894.14, 0.00391019/step Wall: 7894.14, 0.00391019/step, 0.581533 hours remaining, 115.234375 MB of memory in use. ENERGY: 1964600 679.4116 1809.6745 1973.4028 110.5449 0.7694 -1015.2937 0.0000 0.0000 2771.3359 6329.8455 306.1018 3558.5096 6362.7648 307.2945 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: 7894.92, 0.00390795/step Wall: 7894.92, 0.00390795/step, 0.580982 hours remaining, 115.234375 MB of memory in use. ENERGY: 1964800 661.8727 1825.9745 1951.1817 96.4065 0.0082 -1025.0575 0.0000 0.0000 2792.0771 6302.4631 308.3927 3510.3860 6339.0470 305.3762 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: 7895.7, 0.00391001/step Wall: 7895.7, 0.00391001/step, 0.58107 hours remaining, 115.234375 MB of memory in use. ENERGY: 1965000 654.5731 1851.5339 1980.0637 106.5857 0.5656 -1037.4255 0.0000 0.0000 2728.0594 6283.9559 301.3218 3555.8965 6315.1248 302.3210 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: 7896.49, 0.00391101/step Wall: 7896.49, 0.00391101/step, 0.581002 hours remaining, 115.234375 MB of memory in use. ENERGY: 1965200 647.1301 1849.8517 1953.0535 98.8650 0.1779 -1045.0023 0.0000 0.0000 2746.2597 6250.3356 303.3320 3504.0759 6286.8855 302.7620 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: 7897.27, 0.00390957/step Wall: 7897.27, 0.00390957/step, 0.58057 hours remaining, 115.234375 MB of memory in use. ENERGY: 1965400 643.4470 1856.0439 1971.7371 112.5161 -0.1151 -1066.9918 0.0000 0.0000 2743.2304 6259.8677 302.9974 3516.6373 6294.9323 303.8792 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: 7898.05, 0.00390868/step Wall: 7898.05, 0.00390868/step, 0.580222 hours remaining, 115.234375 MB of memory in use. ENERGY: 1965600 679.8181 1869.5900 1952.4644 116.7149 0.3893 -1102.9061 0.0000 0.0000 2722.8472 6238.9178 300.7461 3516.0705 6269.2569 302.2052 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: 7898.83, 0.00390977/step Wall: 7898.83, 0.00390977/step, 0.580166 hours remaining, 115.234375 MB of memory in use. ENERGY: 1965800 672.6851 1859.4940 1918.8560 110.2851 1.0309 -1080.8483 0.0000 0.0000 2717.0974 6198.6002 300.1110 3481.5028 6232.6644 301.8658 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: 7899.61, 0.00391082/step Wall: 7899.61, 0.00391082/step, 0.580106 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1966000 658.7140 1825.4708 1934.2844 106.0021 0.7308 -1118.3552 0.0000 0.0000 2747.2864 6154.1334 303.4454 3406.8470 6191.7623 301.5080 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: 7900.4, 0.00391401/step Wall: 7900.4, 0.003914/step, 0.580359 hours remaining, 115.234375 MB of memory in use. ENERGY: 1966200 673.1233 1842.2546 1928.6754 99.8205 -0.0463 -1098.6689 0.0000 0.0000 2695.5172 6140.6758 297.7274 3445.1586 6173.4909 297.7585 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: 7901.18, 0.00391072/step Wall: 7901.18, 0.00391072/step, 0.579656 hours remaining, 115.234375 MB of memory in use. ENERGY: 1966400 658.9187 1828.2028 1926.7567 112.6921 0.5088 -1094.0319 0.0000 0.0000 2709.1103 6142.1575 299.2288 3433.0472 6176.9302 298.6095 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: 7901.96, 0.00390655/step Wall: 7901.96, 0.00390655/step, 0.57882 hours remaining, 115.234375 MB of memory in use. ENERGY: 1966600 633.9220 1879.7180 1948.2086 108.0975 0.4927 -1110.1609 0.0000 0.0000 2702.5930 6162.8709 298.5089 3460.2779 6197.9478 297.0297 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: 7902.74, 0.00391138/step Wall: 7902.74, 0.00391138/step, 0.579319 hours remaining, 115.234375 MB of memory in use. ENERGY: 1966800 647.1304 1856.0300 1934.7256 105.3934 -0.3201 -1155.2328 0.0000 0.0000 2742.1082 6129.8346 302.8735 3387.7265 6164.7536 298.3592 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: 7903.52, 0.00391272/step Wall: 7903.52, 0.00391273/step, 0.579301 hours remaining, 115.234375 MB of memory in use. ENERGY: 1967000 650.4179 1829.1622 1934.5807 111.8276 0.4995 -1127.0904 0.0000 0.0000 2726.5273 6125.9249 301.1525 3399.3976 6161.1613 299.8053 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: 7904.31, 0.00390921/step Wall: 7904.31, 0.00390921/step, 0.578563 hours remaining, 115.234375 MB of memory in use. ENERGY: 1967200 640.2839 1842.1189 1963.3362 107.0246 1.1267 -1093.7339 0.0000 0.0000 2687.3835 6147.5399 296.8290 3460.1564 6181.3963 299.2575 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: 7905.09, 0.00391019/step Wall: 7905.09, 0.00391019/step, 0.578491 hours remaining, 115.234375 MB of memory in use. ENERGY: 1967400 684.6133 1881.7337 1931.1236 103.2547 0.6631 -1123.8512 0.0000 0.0000 2677.3024 6154.8398 295.7155 3477.5373 6186.9516 298.1131 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: 7905.87, 0.00390558/step Wall: 7905.87, 0.00390558/step, 0.577592 hours remaining, 115.234375 MB of memory in use. ENERGY: 1967600 674.9843 1934.8151 1928.6738 112.9376 1.2850 -1091.3272 0.0000 0.0000 2660.6599 6222.0285 293.8773 3561.3686 6253.5722 299.8097 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: 7906.65, 0.00391168/step Wall: 7906.65, 0.00391168/step, 0.578277 hours remaining, 115.234375 MB of memory in use. ENERGY: 1967800 649.0534 1846.3784 1954.5326 100.9719 1.5993 -1096.0961 0.0000 0.0000 2740.1561 6196.5957 302.6579 3456.4395 6231.6083 300.5387 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: 7907.43, 0.00391055/step Wall: 7907.43, 0.00391055/step, 0.577892 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1968000 688.5159 1860.7256 1954.2755 98.5386 1.4457 -1128.9239 0.0000 0.0000 2759.3680 6233.9455 304.7799 3474.5775 6267.9556 300.9483 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: 7908.22, 0.00391176/step Wall: 7908.22, 0.00391176/step, 0.577854 hours remaining, 115.234375 MB of memory in use. ENERGY: 1968200 671.7263 1873.1718 1961.3328 105.9252 0.0179 -1065.9262 0.0000 0.0000 2698.3092 6244.5571 298.0358 3546.2479 6276.4046 303.4199 LDB: ============= START OF LOAD BALANCING ============== 7910.92 LDB: ============== END OF LOAD BALANCING =============== 7910.92 LDB: =============== DONE WITH MIGRATION ================ 7910.92 LDB: ============= START OF LOAD BALANCING ============== 7911.31 LDB: ============== END OF LOAD BALANCING =============== 7911.31 LDB: =============== DONE WITH MIGRATION ================ 7911.31 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: 7909, 0.0039143/step Wall: 7909, 0.0039143/step, 0.578012 hours remaining, 115.234375 MB of memory in use. ENERGY: 1968400 695.5270 1869.4733 1960.3093 119.4944 -0.8029 -1127.3212 0.0000 0.0000 2684.8603 6201.5402 296.5503 3516.6800 6233.2162 300.3812 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: 7909.78, 0.00391096/step Wall: 7909.78, 0.00391096/step, 0.5773 hours remaining, 115.234375 MB of memory in use. ENERGY: 1968600 650.6861 1896.6130 1962.4411 108.2282 -0.2536 -1104.9344 0.0000 0.0000 2658.7655 6171.5458 293.6681 3512.7803 6203.1735 300.3355 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: 7910.56, 0.00391129/step Wall: 7910.56, 0.00391129/step, 0.577132 hours remaining, 115.234375 MB of memory in use. ENERGY: 1968800 660.7315 1808.9483 1951.4528 106.4910 1.8434 -1123.5096 0.0000 0.0000 2695.0263 6100.9838 297.6732 3405.9574 6132.6808 296.5256 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: 7911.35, 0.00391076/step Wall: 7911.35, 0.00391076/step, 0.576837 hours remaining, 115.234375 MB of memory in use. ENERGY: 1969000 609.7086 1810.6158 1980.1163 114.1053 0.0422 -1121.4670 0.0000 0.0000 2676.8829 6070.0041 295.6692 3393.1212 6104.3246 293.6051 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: 7912.13, 0.00391042/step Wall: 7912.13, 0.00391042/step, 0.57657 hours remaining, 115.234375 MB of memory in use. ENERGY: 1969200 650.7638 1833.0709 1932.1917 95.7434 0.1876 -1134.2960 0.0000 0.0000 2697.1680 6074.8295 297.9097 3377.6615 6107.0844 292.9335 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: 7912.91, 0.00390596/step Wall: 7912.91, 0.00390596/step, 0.575695 hours remaining, 115.234375 MB of memory in use. ENERGY: 1969400 645.4881 1776.7081 1953.3419 101.9848 0.7142 -1122.4630 0.0000 0.0000 2717.4178 6073.1919 300.1464 3355.7740 6110.1738 293.6985 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: 7913.69, 0.00391114/step Wall: 7913.69, 0.00391114/step, 0.576241 hours remaining, 115.234375 MB of memory in use. ENERGY: 1969600 643.0422 1817.7181 1963.2336 106.7935 0.1200 -1107.7460 0.0000 0.0000 2666.7535 6089.9150 294.5503 3423.1615 6125.0965 294.5934 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: 7914.47, 0.00391079/step Wall: 7914.47, 0.00391079/step, 0.575972 hours remaining, 115.234375 MB of memory in use. ENERGY: 1969800 616.5383 1829.2011 1950.3526 116.9528 -1.1150 -1134.4585 0.0000 0.0000 2703.8588 6081.3300 298.6487 3377.4712 6111.8474 295.8670 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: 7915.25, 0.00391107/step Wall: 7915.25, 0.00391106/step, 0.575796 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1970000 673.9703 1844.5985 1918.4647 103.3096 -0.4354 -1124.5105 0.0000 0.0000 2710.1053 6125.5025 299.3387 3415.3972 6161.3670 295.0299 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1970000 WRITING COORDINATES TO DCD FILE MD.1.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: 7916.07, 0.00407722/step Wall: 7916.07, 0.00407722/step, 0.60003 hours remaining, 115.234375 MB of memory in use. ENERGY: 1970200 666.2828 1868.7773 1935.5438 120.0868 -0.7849 -1115.4779 0.0000 0.0000 2677.3918 6151.8198 295.7254 3474.4280 6180.3505 297.4267 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: 7916.85, 0.00391007/step Wall: 7916.85, 0.00391008/step, 0.575216 hours remaining, 115.234375 MB of memory in use. ENERGY: 1970400 654.9918 1847.8708 1959.1135 110.8253 0.3949 -1086.6841 0.0000 0.0000 2723.8016 6210.3138 300.8515 3486.5122 6241.6106 299.1290 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: 7917.63, 0.00390983/step Wall: 7917.63, 0.00390983/step, 0.574963 hours remaining, 115.234375 MB of memory in use. ENERGY: 1970600 648.9804 1871.3931 1942.6547 103.2859 1.9327 -1109.3542 0.0000 0.0000 2747.8266 6206.7192 303.5051 3458.8926 6240.4251 301.1405 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: 7918.42, 0.00391454/step Wall: 7918.42, 0.00391454/step, 0.575437 hours remaining, 115.234375 MB of memory in use. ENERGY: 1970800 653.1738 1847.1948 1969.0550 114.5692 -0.2219 -1100.9292 0.0000 0.0000 2748.1621 6231.0038 303.5422 3482.8417 6264.1569 302.3556 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: 7919.2, 0.00390689/step Wall: 7919.2, 0.00390689/step, 0.574096 hours remaining, 115.234375 MB of memory in use. ENERGY: 1971000 630.2075 1820.4969 1983.8726 110.6509 -0.2319 -1079.8722 0.0000 0.0000 2782.1557 6247.2795 307.2968 3465.1238 6281.1678 300.4254 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: 7919.98, 0.0039068/step Wall: 7919.98, 0.0039068/step, 0.573865 hours remaining, 115.234375 MB of memory in use. ENERGY: 1971200 690.4152 1832.7900 1957.6136 110.9176 -1.3723 -1088.9557 0.0000 0.0000 2694.6017 6196.0101 297.6263 3501.4084 6228.6743 301.2159 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: 7920.76, 0.00390792/step Wall: 7920.76, 0.00390792/step, 0.573814 hours remaining, 115.234375 MB of memory in use. ENERGY: 1971400 669.4553 1820.4731 1948.3581 114.3475 0.9744 -1074.4007 0.0000 0.0000 2716.5095 6195.7173 300.0460 3479.2078 6228.7371 300.3729 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: 7921.54, 0.00390697/step Wall: 7921.54, 0.00390697/step, 0.573456 hours remaining, 115.234375 MB of memory in use. ENERGY: 1971600 662.4006 1848.2838 1935.0014 117.9397 0.4567 -1083.6754 0.0000 0.0000 2709.9193 6190.3261 299.3181 3480.4068 6222.1520 300.1097 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: 7922.32, 0.00390558/step Wall: 7922.32, 0.00390558/step, 0.573036 hours remaining, 115.234375 MB of memory in use. ENERGY: 1971800 640.9981 1818.8385 1948.8196 113.3932 0.4965 -1076.8213 0.0000 0.0000 2742.5973 6188.3219 302.9275 3445.7246 6224.2947 298.8833 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: 7923.11, 0.00390639/step Wall: 7923.11, 0.00390639/step, 0.572937 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1972000 686.4871 1859.7187 1952.2485 107.5335 0.2746 -1095.2442 0.0000 0.0000 2746.3216 6257.3398 303.3389 3511.0183 6287.8461 302.3021 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: 7923.89, 0.00390647/step Wall: 7923.89, 0.00390647/step, 0.572732 hours remaining, 115.234375 MB of memory in use. ENERGY: 1972200 661.2381 1793.8612 1994.2267 117.7179 0.4898 -1095.8949 0.0000 0.0000 2748.4938 6220.1326 303.5788 3471.6387 6253.4925 303.6755 LDB: ============= START OF LOAD BALANCING ============== 7926.59 LDB: ============== END OF LOAD BALANCING =============== 7926.59 LDB: =============== DONE WITH MIGRATION ================ 7926.59 LDB: ============= START OF LOAD BALANCING ============== 7926.98 LDB: ============== END OF LOAD BALANCING =============== 7926.98 LDB: =============== DONE WITH MIGRATION ================ 7926.98 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: 7924.67, 0.00391299/step Wall: 7924.67, 0.00391299/step, 0.57347 hours remaining, 115.234375 MB of memory in use. ENERGY: 1972400 647.9257 1859.7009 1964.7055 118.9666 0.7237 -1108.1422 0.0000 0.0000 2750.0354 6233.9154 303.7491 3483.8801 6269.1584 301.1929 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: 7925.45, 0.00390888/step Wall: 7925.45, 0.00390888/step, 0.572651 hours remaining, 115.234375 MB of memory in use. ENERGY: 1972600 654.1073 1807.9274 1939.4517 114.0802 0.1191 -1120.1521 0.0000 0.0000 2777.5662 6173.0998 306.7899 3395.5336 6210.4579 301.2499 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: 7926.23, 0.00390504/step Wall: 7926.23, 0.00390504/step, 0.571872 hours remaining, 115.234375 MB of memory in use. ENERGY: 1972800 642.0009 1829.4733 1951.7904 100.1481 -0.0253 -1092.8868 0.0000 0.0000 2700.9567 6131.4573 298.3282 3430.5006 6162.3676 298.7570 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: 7927.01, 0.00390678/step Wall: 7927.01, 0.00390678/step, 0.571909 hours remaining, 115.234375 MB of memory in use. ENERGY: 1973000 666.9741 1842.7844 1926.7124 116.9058 -0.2843 -1058.2241 0.0000 0.0000 2704.3251 6199.1934 298.7002 3494.8684 6232.2236 297.9743 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: 7927.8, 0.00390916/step Wall: 7927.8, 0.00390916/step, 0.57204 hours remaining, 115.234375 MB of memory in use. ENERGY: 1973200 652.0476 1924.8292 1927.6798 111.0846 -0.0709 -1118.4612 0.0000 0.0000 2699.6196 6196.7287 298.1805 3497.1091 6228.9300 300.9506 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: 7928.58, 0.00390754/step Wall: 7928.58, 0.00390754/step, 0.571587 hours remaining, 115.234375 MB of memory in use. ENERGY: 1973400 657.8405 1939.9450 1953.3568 94.1879 0.5056 -1089.7193 0.0000 0.0000 2714.7445 6270.8611 299.8511 3556.1165 6303.5887 301.9088 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: 7929.36, 0.00390513/step Wall: 7929.36, 0.00390513/step, 0.571017 hours remaining, 115.234375 MB of memory in use. ENERGY: 1973600 646.1063 1951.3070 1927.5923 114.3290 0.1171 -1094.7681 0.0000 0.0000 2799.5869 6344.2704 309.2222 3544.6835 6377.0775 307.7416 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: 7930.14, 0.00391454/step Wall: 7930.14, 0.00391454/step, 0.572175 hours remaining, 115.234375 MB of memory in use. ENERGY: 1973800 673.4461 1878.2565 1950.9096 108.5073 0.9857 -1114.8216 0.0000 0.0000 2796.6640 6293.9477 308.8993 3497.2837 6331.1983 307.7369 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: 7930.92, 0.0039088/step Wall: 7930.92, 0.0039088/step, 0.57112 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1974000 681.5462 1864.7103 1930.7754 116.3273 1.3194 -1086.0679 0.0000 0.0000 2763.2243 6271.8351 305.2058 3508.6108 6304.6445 304.2185 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: 7931.7, 0.00390636/step Wall: 7931.7, 0.00390636/step, 0.570546 hours remaining, 115.234375 MB of memory in use. ENERGY: 1974200 625.9056 1870.7851 1935.2340 120.9579 1.5845 -1074.4947 0.0000 0.0000 2737.5948 6217.5673 302.3750 3479.9724 6250.5131 304.4447 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: 7932.48, 0.00390565/step Wall: 7932.48, 0.00390565/step, 0.570224 hours remaining, 115.234375 MB of memory in use. ENERGY: 1974400 632.8521 1782.8010 1967.4581 114.6078 1.8844 -1087.0724 0.0000 0.0000 2744.4012 6156.9321 303.1268 3412.5308 6193.4197 299.9314 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: 7933.27, 0.00390531/step Wall: 7933.27, 0.00390531/step, 0.569958 hours remaining, 115.234375 MB of memory in use. ENERGY: 1974600 625.2790 1806.6837 1949.6184 109.5865 0.4882 -1096.2671 0.0000 0.0000 2765.4102 6160.7988 305.4473 3395.3886 6197.2895 297.8967 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: 7934.05, 0.00390613/step Wall: 7934.05, 0.00390613/step, 0.569861 hours remaining, 115.234375 MB of memory in use. ENERGY: 1974800 686.8411 1816.7091 1930.2495 116.0672 -0.0767 -1067.6519 0.0000 0.0000 2719.0129 6201.1513 300.3226 3482.1384 6234.9151 299.7090 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: 7934.83, 0.00390699/step Wall: 7934.83, 0.00390699/step, 0.569769 hours remaining, 115.234375 MB of memory in use. ENERGY: 1975000 660.9462 1853.9111 1968.9081 99.7446 0.2728 -1090.1714 0.0000 0.0000 2735.4451 6229.0565 302.1375 3493.6115 6261.3155 301.7971 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: 7935.61, 0.0039061/step Wall: 7935.61, 0.0039061/step, 0.569423 hours remaining, 115.234375 MB of memory in use. ENERGY: 1975200 671.7846 1825.9625 1967.4923 107.1574 0.0846 -1074.5276 0.0000 0.0000 2726.4996 6224.4535 301.1495 3497.9539 6258.7506 299.9263 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: 7936.39, 0.00390697/step Wall: 7936.39, 0.00390697/step, 0.569332 hours remaining, 115.234375 MB of memory in use. ENERGY: 1975400 654.7997 1879.9156 1936.4152 107.7673 -0.6656 -1081.7018 0.0000 0.0000 2708.3121 6204.8425 299.1406 3496.5304 6237.2168 299.6333 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: 7937.17, 0.00390468/step Wall: 7937.17, 0.00390468/step, 0.568782 hours remaining, 115.234375 MB of memory in use. ENERGY: 1975600 626.4725 1862.6823 1959.0631 101.3415 -1.3522 -1092.2746 0.0000 0.0000 2714.0179 6169.9505 299.7708 3455.9327 6207.2973 299.0879 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: 7937.95, 0.00390529/step Wall: 7937.95, 0.00390529/step, 0.568653 hours remaining, 115.234375 MB of memory in use. ENERGY: 1975800 636.9479 1819.7573 1971.4462 94.8119 0.2036 -1099.6689 0.0000 0.0000 2684.8051 6108.3030 296.5442 3423.4979 6143.0700 297.4109 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: 7938.73, 0.00390589/step Wall: 7938.73, 0.00390589/step, 0.568525 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1976000 659.5861 1837.9345 1936.7242 98.8082 1.0027 -1093.6263 0.0000 0.0000 2676.6226 6117.0520 295.6404 3440.4293 6149.5856 296.6988 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: 7939.52, 0.00390626/step Wall: 7939.52, 0.00390626/step, 0.568361 hours remaining, 115.234375 MB of memory in use. ENERGY: 1976200 631.8751 1843.9965 1947.3721 114.9891 0.4468 -1095.4374 0.0000 0.0000 2703.3937 6146.6360 298.5974 3443.2423 6180.9341 295.6833 LDB: ============= START OF LOAD BALANCING ============== 7942.22 LDB: ============== END OF LOAD BALANCING =============== 7942.22 LDB: =============== DONE WITH MIGRATION ================ 7942.22 LDB: ============= START OF LOAD BALANCING ============== 7942.61 LDB: ============== END OF LOAD BALANCING =============== 7942.61 LDB: =============== DONE WITH MIGRATION ================ 7942.61 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: 7940.3, 0.00391101/step Wall: 7940.3, 0.00391101/step, 0.568835 hours remaining, 115.234375 MB of memory in use. ENERGY: 1976400 628.6671 1895.8916 1943.1473 100.7091 0.4408 -1133.6230 0.0000 0.0000 2673.4597 6108.6927 295.2911 3435.2329 6139.5873 297.7562 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: 7941.08, 0.00390586/step Wall: 7941.08, 0.00390586/step, 0.567869 hours remaining, 115.234375 MB of memory in use. ENERGY: 1976600 617.3445 1847.4838 1944.7689 107.3457 -0.7892 -1094.7125 0.0000 0.0000 2722.2706 6143.7118 300.6824 3421.4412 6176.5276 298.0352 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: 7941.86, 0.00390754/step Wall: 7941.86, 0.00390754/step, 0.567896 hours remaining, 115.234375 MB of memory in use. ENERGY: 1976800 632.6576 1821.1718 1946.3275 108.8648 -0.4414 -1087.2932 0.0000 0.0000 2661.9027 6083.1898 294.0146 3421.2871 6116.2609 297.5559 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: 7942.64, 0.00390714/step Wall: 7942.64, 0.00390714/step, 0.56762 hours remaining, 115.234375 MB of memory in use. ENERGY: 1977000 636.9531 1851.1908 1929.2969 106.5368 0.1029 -1077.1435 0.0000 0.0000 2693.5566 6140.4936 297.5108 3446.9370 6172.8884 297.5482 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: 7943.42, 0.0039086/step Wall: 7943.42, 0.0039086/step, 0.567616 hours remaining, 115.234375 MB of memory in use. ENERGY: 1977200 687.7232 1835.6306 1939.9201 110.4057 0.3303 -1093.7126 0.0000 0.0000 2688.2833 6168.5805 296.9284 3480.2972 6199.5088 298.0719 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: 7944.21, 0.00390834/step Wall: 7944.21, 0.00390834/step, 0.567361 hours remaining, 115.234375 MB of memory in use. ENERGY: 1977400 687.0675 1839.9741 1952.1028 104.9553 -0.9169 -1124.4145 0.0000 0.0000 2723.8345 6182.6028 300.8551 3458.7683 6216.6985 300.3519 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: 7944.99, 0.00390822/step Wall: 7944.99, 0.00390822/step, 0.567126 hours remaining, 115.234375 MB of memory in use. ENERGY: 1977600 641.8128 1834.5917 1959.9921 96.9929 -0.0259 -1108.2634 0.0000 0.0000 2694.8225 6119.9226 297.6507 3425.1001 6152.0384 298.0204 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: 7945.77, 0.00390735/step Wall: 7945.77, 0.00390735/step, 0.566783 hours remaining, 115.234375 MB of memory in use. ENERGY: 1977800 649.1957 1798.3391 1954.5749 109.1050 -0.9539 -1121.1605 0.0000 0.0000 2723.4424 6112.5427 300.8118 3389.1003 6145.1985 296.0940 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: 7946.55, 0.00390863/step Wall: 7946.55, 0.00390863/step, 0.566751 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1978000 671.4326 1800.7228 1945.5734 99.7613 -0.2933 -1123.4294 0.0000 0.0000 2718.9274 6112.6947 300.3131 3393.7674 6149.6874 295.9928 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: 7947.33, 0.00390909/step Wall: 7947.33, 0.00390908/step, 0.5666 hours remaining, 115.234375 MB of memory in use. ENERGY: 1978200 633.5885 1876.5775 1930.0291 117.7823 -0.6909 -1125.6296 0.0000 0.0000 2715.4847 6147.1415 299.9329 3431.6568 6179.8483 297.0596 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: 7948.11, 0.0039099/step Wall: 7948.11, 0.0039099/step, 0.566502 hours remaining, 115.234375 MB of memory in use. ENERGY: 1978400 640.7792 1833.0762 1945.8979 120.9276 0.0340 -1074.5014 0.0000 0.0000 2723.6193 6189.8330 300.8313 3466.2137 6223.5833 299.4576 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: 7948.9, 0.0039103/step Wall: 7948.9, 0.0039103/step, 0.566342 hours remaining, 115.234375 MB of memory in use. ENERGY: 1978600 655.8360 1843.5923 1925.7830 101.0716 -0.6923 -1088.6138 0.0000 0.0000 2711.1407 6148.1176 299.4530 3436.9768 6185.1277 300.4836 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: 7949.68, 0.00390813/step Wall: 7949.68, 0.00390813/step, 0.56581 hours remaining, 115.234375 MB of memory in use. ENERGY: 1978800 653.2209 1840.8925 1968.0290 113.8781 0.4769 -1062.7074 0.0000 0.0000 2668.0124 6181.8025 294.6894 3513.7901 6213.7332 298.9134 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: 7950.46, 0.00390915/step Wall: 7950.46, 0.00390915/step, 0.565741 hours remaining, 115.234375 MB of memory in use. ENERGY: 1979000 630.4059 1888.7113 1952.3646 128.9921 -1.1708 -1087.5436 0.0000 0.0000 2652.7620 6164.5216 293.0050 3511.7596 6197.9917 298.5580 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: 7951.24, 0.00390883/step Wall: 7951.24, 0.00390883/step, 0.565477 hours remaining, 115.234375 MB of memory in use. ENERGY: 1979200 634.7712 1821.4090 1963.3794 122.5370 -1.0445 -1059.7778 0.0000 0.0000 2687.4617 6168.7360 296.8376 3481.2743 6198.3256 298.5412 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: 7952.02, 0.00390771/step Wall: 7952.02, 0.00390771/step, 0.565098 hours remaining, 115.234375 MB of memory in use. ENERGY: 1979400 662.9556 1829.4899 1962.8455 108.1195 -0.1450 -1094.7601 0.0000 0.0000 2754.9395 6223.4450 304.2907 3468.5055 6259.4093 299.7970 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: 7952.8, 0.0039102/step Wall: 7952.8, 0.0039102/step, 0.565242 hours remaining, 115.234375 MB of memory in use. ENERGY: 1979600 650.1918 1887.0660 1947.2128 111.2913 0.6146 -1072.2237 0.0000 0.0000 2700.3569 6224.5098 298.2619 3524.1529 6255.7912 302.4543 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: 7954.64, 0.00918596/step Wall: 7954.64, 0.00918596/step, 1.32737 hours remaining, 115.234375 MB of memory in use. ENERGY: 1979800 691.7013 1815.1002 1959.0058 112.9246 1.7286 -1109.2075 0.0000 0.0000 2690.5978 6161.8509 297.1840 3471.2531 6198.2863 299.3281 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: 7955.43, 0.00393235/step Wall: 7955.43, 0.00393235/step, 0.568007 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1980000 657.6216 1828.7360 1964.9621 101.0659 -0.0532 -1106.2596 0.0000 0.0000 2669.0878 6115.1605 294.8082 3446.0727 6151.2858 298.2185 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1980000 WRITING COORDINATES TO DCD FILE MD.1.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: 7956.28, 0.00426655/step Wall: 7956.28, 0.00426655/step, 0.616042 hours remaining, 115.234375 MB of memory in use. ENERGY: 1980200 660.5439 1847.0606 1921.3828 100.9345 0.5972 -1128.1535 0.0000 0.0000 2705.8257 6108.1912 298.8660 3402.3655 6142.9891 297.0123 LDB: ============= START OF LOAD BALANCING ============== 7958.98 LDB: ============== END OF LOAD BALANCING =============== 7958.98 LDB: =============== DONE WITH MIGRATION ================ 7958.98 LDB: ============= START OF LOAD BALANCING ============== 7959.37 LDB: ============== END OF LOAD BALANCING =============== 7959.37 LDB: =============== DONE WITH MIGRATION ================ 7959.37 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: 7957.06, 0.0039142/step Wall: 7957.06, 0.0039142/step, 0.564949 hours remaining, 115.234375 MB of memory in use. ENERGY: 1980400 641.2996 1869.9859 1983.9604 96.9358 0.5038 -1119.2614 0.0000 0.0000 2663.5814 6137.0054 294.2000 3473.4241 6168.8668 296.7217 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: 7957.85, 0.00390961/step Wall: 7957.85, 0.00390961/step, 0.56407 hours remaining, 115.234375 MB of memory in use. ENERGY: 1980600 665.5030 1775.4044 1959.8029 120.2498 -0.8810 -1115.6433 0.0000 0.0000 2714.0945 6118.5303 299.7793 3404.4358 6154.2423 296.6143 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: 7958.63, 0.00391831/step Wall: 7958.63, 0.00391831/step, 0.565107 hours remaining, 115.234375 MB of memory in use. ENERGY: 1980800 659.3120 1869.9909 1949.3284 106.9718 0.0217 -1124.6436 0.0000 0.0000 2646.3823 6107.3636 292.3003 3460.9813 6138.8492 296.7778 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: 7959.41, 0.00390962/step Wall: 7959.41, 0.00390962/step, 0.563638 hours remaining, 115.234375 MB of memory in use. ENERGY: 1981000 676.6544 1789.7034 1937.4793 113.6486 0.4747 -1087.9900 0.0000 0.0000 2728.7820 6158.7524 301.4016 3429.9703 6191.4190 297.6447 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: 7960.19, 0.00390932/step Wall: 7960.19, 0.00390932/step, 0.563376 hours remaining, 115.234375 MB of memory in use. ENERGY: 1981200 651.3426 1830.0360 1948.4960 110.9769 -0.6543 -1067.4163 0.0000 0.0000 2723.1606 6195.9415 300.7807 3472.7809 6230.6332 300.6321 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: 7960.98, 0.00390686/step Wall: 7960.98, 0.00390686/step, 0.562805 hours remaining, 115.234375 MB of memory in use. ENERGY: 1981400 679.5492 1840.2371 1974.1118 121.7440 -0.5042 -1084.5609 0.0000 0.0000 2690.9908 6221.5678 297.2274 3530.5770 6252.0876 301.6953 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: 7961.76, 0.00391088/step Wall: 7961.76, 0.00391088/step, 0.563166 hours remaining, 115.234375 MB of memory in use. ENERGY: 1981600 653.7121 1868.6105 1958.0419 115.3632 -0.1247 -1086.7444 0.0000 0.0000 2731.2033 6240.0618 301.6690 3508.8585 6272.6669 301.0579 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: 7962.54, 0.00390944/step Wall: 7962.54, 0.00390944/step, 0.562742 hours remaining, 115.234375 MB of memory in use. ENERGY: 1981800 646.5426 1910.7752 1971.1249 105.2442 0.3667 -1081.9417 0.0000 0.0000 2726.2746 6278.3865 301.1246 3552.1120 6314.3255 303.0847 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: 7963.32, 0.00391078/step Wall: 7963.32, 0.00391078/step, 0.562717 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1982000 689.7370 1852.5566 1967.2492 111.1783 -0.1233 -1099.2563 0.0000 0.0000 2714.9135 6236.2551 299.8698 3521.3415 6268.9688 302.8607 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: 7964.1, 0.00390511/step Wall: 7964.1, 0.00390511/step, 0.561686 hours remaining, 115.234375 MB of memory in use. ENERGY: 1982200 676.5292 1822.0228 1966.3102 123.3975 -0.7291 -1093.2450 0.0000 0.0000 2743.8822 6238.1678 303.0694 3494.2856 6272.4355 299.8137 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: 7964.88, 0.00391137/step Wall: 7964.88, 0.00391137/step, 0.562367 hours remaining, 115.234375 MB of memory in use. ENERGY: 1982400 656.3705 1900.8693 1942.1894 116.9950 -0.6078 -1061.6225 0.0000 0.0000 2682.3083 6236.5022 296.2684 3554.1938 6267.9549 301.8330 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: 7965.67, 0.0039123/step Wall: 7965.67, 0.0039123/step, 0.562284 hours remaining, 115.234375 MB of memory in use. ENERGY: 1982600 651.3163 1840.0207 1967.2413 115.6952 -0.4478 -1083.0365 0.0000 0.0000 2687.2511 6178.0402 296.8144 3490.7891 6210.0967 301.1241 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: 7966.45, 0.00391249/step Wall: 7966.45, 0.00391249/step, 0.562094 hours remaining, 115.234375 MB of memory in use. ENERGY: 1982800 680.6770 1869.3140 1990.7032 110.9247 -0.2522 -1098.2722 0.0000 0.0000 2692.8200 6245.9146 297.4295 3553.0946 6277.7290 302.5267 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: 7967.23, 0.00391181/step Wall: 7967.23, 0.00391181/step, 0.56178 hours remaining, 115.234375 MB of memory in use. ENERGY: 1983000 663.5484 1829.5673 1963.5498 99.4948 -0.9040 -1070.9793 0.0000 0.0000 2830.0341 6314.3112 312.5851 3484.2771 6349.2254 304.4450 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: 7968.01, 0.00390727/step Wall: 7968.01, 0.00390727/step, 0.56091 hours remaining, 115.234375 MB of memory in use. ENERGY: 1983200 673.0585 1887.9450 1959.0300 111.2194 0.1528 -1049.2051 0.0000 0.0000 2753.3840 6335.5846 304.1189 3582.2006 6367.5902 307.2831 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: 7968.8, 0.00391201/step Wall: 7968.8, 0.00391201/step, 0.561373 hours remaining, 115.234375 MB of memory in use. ENERGY: 1983400 680.6766 1892.8863 1957.1560 111.4983 0.0161 -1078.0905 0.0000 0.0000 2763.5437 6327.6864 305.2411 3564.1427 6358.6583 308.0443 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: 7969.58, 0.00390783/step Wall: 7969.58, 0.00390782/step, 0.560556 hours remaining, 115.234375 MB of memory in use. ENERGY: 1983600 683.5474 1886.8551 1976.3737 107.1656 -0.1720 -1113.4540 0.0000 0.0000 2776.0742 6316.3902 306.6251 3540.3159 6347.2947 306.6788 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: 7970.36, 0.00391137/step Wall: 7970.36, 0.00391138/step, 0.560848 hours remaining, 115.234375 MB of memory in use. ENERGY: 1983800 647.1163 1938.2988 1956.6415 107.6587 0.0442 -1083.4629 0.0000 0.0000 2742.5283 6308.8249 302.9199 3566.2966 6341.7846 305.6445 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: 7971.14, 0.00390913/step Wall: 7971.14, 0.00390913/step, 0.560308 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1984000 681.3362 1928.3809 1977.5399 106.4277 -0.4413 -1069.6570 0.0000 0.0000 2703.8485 6327.4349 298.6476 3623.5864 6360.4528 306.0682 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: 7971.92, 0.00391381/step Wall: 7971.92, 0.00391381/step, 0.560762 hours remaining, 115.234375 MB of memory in use. ENERGY: 1984200 663.8196 1892.7353 1950.9850 112.2539 -0.0631 -1077.1011 0.0000 0.0000 2770.6240 6313.2536 306.0231 3542.6296 6345.6739 305.7838 LDB: ============= START OF LOAD BALANCING ============== 7974.63 LDB: ============== END OF LOAD BALANCING =============== 7974.63 LDB: =============== DONE WITH MIGRATION ================ 7974.63 LDB: ============= START OF LOAD BALANCING ============== 7975.02 LDB: ============== END OF LOAD BALANCING =============== 7975.02 LDB: =============== DONE WITH MIGRATION ================ 7975.02 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: 7972.71, 0.00391956/step Wall: 7972.71, 0.00391956/step, 0.561368 hours remaining, 115.234375 MB of memory in use. ENERGY: 1984400 677.2389 1920.9398 1947.0305 99.6586 0.3156 -1073.5920 0.0000 0.0000 2743.6999 6315.2913 303.0493 3571.5914 6347.7312 305.7746 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: 7973.49, 0.00391423/step Wall: 7973.49, 0.00391423/step, 0.560387 hours remaining, 115.234375 MB of memory in use. ENERGY: 1984600 686.1772 1913.8214 1957.5618 112.3529 0.3929 -1129.9544 0.0000 0.0000 2746.7512 6287.1029 303.3863 3540.3517 6320.1371 306.3960 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: 7974.27, 0.00391342/step Wall: 7974.27, 0.00391342/step, 0.560054 hours remaining, 115.234375 MB of memory in use. ENERGY: 1984800 661.9929 1876.0153 1954.5903 108.4793 -0.1870 -1107.9882 0.0000 0.0000 2756.8311 6249.7337 304.4997 3492.9026 6282.6908 304.7613 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: 7975.06, 0.0039073/step Wall: 7975.06, 0.0039073/step, 0.558961 hours remaining, 115.234375 MB of memory in use. ENERGY: 1985000 664.5899 1797.5604 1985.5446 105.4059 -0.7501 -1040.1993 0.0000 0.0000 2691.4840 6203.6354 297.2819 3512.1514 6234.1092 301.6507 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: 7975.84, 0.00391033/step Wall: 7975.84, 0.00391033/step, 0.559177 hours remaining, 115.234375 MB of memory in use. ENERGY: 1985200 655.7140 1807.5191 1943.5293 94.5456 0.0955 -1098.4712 0.0000 0.0000 2743.5801 6146.5125 303.0361 3402.9323 6180.6647 298.4805 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: 7976.62, 0.00391415/step Wall: 7976.62, 0.00391415/step, 0.559507 hours remaining, 115.234375 MB of memory in use. ENERGY: 1985400 612.3177 1818.3297 1944.3447 101.3722 -0.7881 -1087.7187 0.0000 0.0000 2714.7440 6102.6016 299.8510 3387.8575 6137.3711 297.5607 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: 7977.4, 0.00390984/step Wall: 7977.4, 0.00390984/step, 0.558673 hours remaining, 115.234375 MB of memory in use. ENERGY: 1985600 630.4119 1804.6602 1941.1849 105.1017 1.5538 -1096.3594 0.0000 0.0000 2701.6927 6088.2458 298.4095 3386.5531 6120.0239 294.7526 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: 7978.18, 0.00390756/step Wall: 7978.18, 0.00390756/step, 0.558129 hours remaining, 115.234375 MB of memory in use. ENERGY: 1985800 633.9596 1768.6577 1953.1599 114.2571 1.1500 -1084.1865 0.0000 0.0000 2676.4275 6063.4255 295.6189 3386.9980 6094.3253 294.9604 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: 7978.97, 0.00391057/step Wall: 7978.97, 0.00391057/step, 0.558343 hours remaining, 115.234375 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1986000 638.4489 1793.2412 1937.5900 103.0119 0.8764 -1099.7569 0.0000 0.0000 2753.4799 6126.8915 304.1295 3373.4116 6159.6405 296.2571 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: 7979.75, 0.00391002/step Wall: 7979.75, 0.00391002/step, 0.558047 hours remaining, 115.234375 MB of memory in use. ENERGY: 1986200 646.1013 1792.4763 1956.2442 111.7815 -0.4307 -1083.4549 0.0000 0.0000 2707.3777 6130.0953 299.0374 3422.7176 6161.2454 296.2722 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: 7980.53, 0.00391374/step Wall: 7980.53, 0.00391374/step, 0.55836 hours remaining, 115.234375 MB of memory in use. ENERGY: 1986400 661.6318 1885.8789 1921.8140 107.3858 0.9623 -1089.4341 0.0000 0.0000 2679.3939 6167.6326 295.9465 3488.2387 6198.1381 296.6804 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: 7981.31, 0.00391352/step Wall: 7981.31, 0.00391352/step, 0.558112 hours remaining, 115.234375 MB of memory in use. ENERGY: 1986600 664.8733 1879.7571 1957.4637 109.4443 1.0332 -1075.1112 0.0000 0.0000 2650.6460 6188.1063 292.7712 3537.4603 6217.8024 297.3707 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: 7982.1, 0.00391025/step Wall: 7982.1, 0.00391025/step, 0.557427 hours remaining, 115.234375 MB of memory in use. ENERGY: 1986800 679.0342 1831.5483 1939.1357 104.9834 -0.1501 -1079.5068 0.0000 0.0000 2669.3158 6144.3604 294.8334 3475.0447 6174.9957 298.9825 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: 7982.88, 0.00391393/step Wall: 7982.88, 0.00391393/step, 0.557736 hours remaining, 115.234375 MB of memory in use. ENERGY: 1987000 665.1900 1822.3397 1942.4031 97.8411 1.5851 -1061.5888 0.0000 0.0000 2694.8429 6162.6131 297.6529 3467.7702 6195.8469 298.6959 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: 7983.66, 0.00391273/step Wall: 7983.66, 0.00391273/step, 0.557346 hours remaining, 115.234375 MB of memory in use. ENERGY: 1987200 628.5446 1846.7883 1999.0587 112.0251 0.6861 -1056.7115 0.0000 0.0000 2682.7055 6213.0968 296.3123 3530.3913 6244.3446 299.4146 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: 7984.44, 0.00391345/step Wall: 7984.44, 0.00391345/step, 0.557232 hours remaining, 115.234375 MB of memory in use. ENERGY: 1987400 643.7492 1883.5800 1939.4959 110.6386 0.2917 -1118.1025 0.0000 0.0000 2722.6212 6182.2742 300.7211 3459.6530 6212.7433 300.4797 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: 7985.23, 0.0039109/step Wall: 7985.23, 0.0039109/step, 0.556651 hours remaining, 115.238281 MB of memory in use. ENERGY: 1987600 676.3310 1842.7944 1972.7540 112.1227 0.6914 -1085.9499 0.0000 0.0000 2722.7148 6241.4584 300.7314 3518.7436 6272.7386 301.0594 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: 7986.01, 0.00390811/step Wall: 7986.01, 0.00390811/step, 0.556037 hours remaining, 115.242188 MB of memory in use. ENERGY: 1987800 658.6244 1772.2151 1990.5575 105.6950 0.8943 -1068.7722 0.0000 0.0000 2721.6119 6180.8260 300.6096 3459.2142 6212.8072 300.4943 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: 7986.79, 0.00391062/step Wall: 7986.79, 0.00391062/step, 0.556177 hours remaining, 115.250000 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1988000 677.1994 1873.1272 1967.3529 111.6812 1.5379 -1093.8071 0.0000 0.0000 2696.4057 6233.4972 297.8255 3537.0915 6265.3413 299.7718 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: 7987.57, 0.00390944/step Wall: 7987.57, 0.00390944/step, 0.555791 hours remaining, 115.250000 MB of memory in use. ENERGY: 1988200 633.8885 1865.3316 1953.8680 121.9154 0.6949 -1109.8916 0.0000 0.0000 2690.0782 6155.8850 297.1266 3465.8068 6189.8076 299.8704 LDB: ============= START OF LOAD BALANCING ============== 7990.27 LDB: ============== END OF LOAD BALANCING =============== 7990.27 LDB: =============== DONE WITH MIGRATION ================ 7990.27 LDB: ============= START OF LOAD BALANCING ============== 7990.66 LDB: ============== END OF LOAD BALANCING =============== 7990.66 LDB: =============== DONE WITH MIGRATION ================ 7990.66 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: 7988.35, 0.00391754/step Wall: 7988.35, 0.00391754/step, 0.556726 hours remaining, 115.253906 MB of memory in use. ENERGY: 1988400 660.5189 1868.8276 1954.6510 105.4182 0.8398 -1112.3368 0.0000 0.0000 2681.5944 6159.5132 296.1896 3477.9188 6192.1706 299.9180 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: 7989.14, 0.00390773/step Wall: 7989.14, 0.00390774/step, 0.555116 hours remaining, 115.257812 MB of memory in use. ENERGY: 1988600 665.0556 1867.4011 1972.2703 95.4943 0.4647 -1122.0227 0.0000 0.0000 2690.4169 6169.0802 297.1640 3478.6633 6199.1261 300.3454 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: 7989.92, 0.00392103/step Wall: 7989.92, 0.00392103/step, 0.556786 hours remaining, 115.257812 MB of memory in use. ENERGY: 1988800 647.5032 1861.3355 1942.0692 97.0187 0.7029 -1091.5325 0.0000 0.0000 2710.7502 6167.8472 299.4099 3457.0970 6199.9224 299.1816 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: 7990.7, 0.00391381/step Wall: 7990.7, 0.00391381/step, 0.555544 hours remaining, 115.257812 MB of memory in use. ENERGY: 1989000 655.0385 1828.7745 1948.8251 107.3611 0.0493 -1094.0858 0.0000 0.0000 2725.9400 6171.9028 301.0877 3445.9628 6204.8782 299.2329 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: 7991.49, 0.0039121/step Wall: 7991.49, 0.0039121/step, 0.555084 hours remaining, 115.257812 MB of memory in use. ENERGY: 1989200 682.0294 1828.6245 1934.3030 109.7178 -1.0315 -1100.1255 0.0000 0.0000 2710.9052 6164.4230 299.4270 3453.5177 6195.2888 298.2773 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: 7992.27, 0.0039118/step Wall: 7992.27, 0.0039118/step, 0.554823 hours remaining, 115.257812 MB of memory in use. ENERGY: 1989400 676.6718 1895.9965 1915.1411 111.0331 0.5168 -1107.3906 0.0000 0.0000 2704.6934 6196.6620 298.7409 3491.9686 6228.0497 300.3123 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: 7993.05, 0.00390814/step Wall: 7993.05, 0.00390814/step, 0.554088 hours remaining, 115.257812 MB of memory in use. ENERGY: 1989600 657.5428 1845.0710 1946.6759 109.0338 0.3794 -1093.2318 0.0000 0.0000 2707.8118 6173.2830 299.0854 3465.4712 6204.0314 300.2551 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: 7993.83, 0.00390924/step Wall: 7993.83, 0.00390924/step, 0.554026 hours remaining, 115.257812 MB of memory in use. ENERGY: 1989800 620.9192 1830.4533 1929.7616 116.0048 1.2791 -1070.2450 0.0000 0.0000 2728.0420 6156.2149 301.3198 3428.1730 6192.6346 298.5500 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: 7994.61, 0.00391259/step Wall: 7994.61, 0.00391259/step, 0.554284 hours remaining, 115.257812 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1990000 643.9810 1855.4354 1928.7154 111.6158 0.6625 -1117.4133 0.0000 0.0000 2715.7246 6138.7213 299.9593 3422.9967 6174.3478 298.4149 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 1990000 WRITING COORDINATES TO DCD FILE MD.1.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: 7995.44, 0.00414395/step Wall: 7995.44, 0.00414395/step, 0.58683 hours remaining, 115.257812 MB of memory in use. ENERGY: 1990200 662.0017 1834.2589 1969.4071 108.9017 0.2414 -1137.3295 0.0000 0.0000 2660.9869 6098.4682 293.9134 3437.4814 6133.0745 296.5517 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: 7996.22, 0.0039062/step Wall: 7996.22, 0.0039062/step, 0.552944 hours remaining, 115.257812 MB of memory in use. ENERGY: 1990400 649.0264 1842.6351 1942.9101 106.7959 0.7029 -1117.1598 0.0000 0.0000 2698.8135 6123.7239 298.0915 3424.9105 6156.3680 295.8079 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: 7997.01, 0.0039101/step Wall: 7997.01, 0.0039101/step, 0.553279 hours remaining, 115.257812 MB of memory in use. ENERGY: 1990600 652.7551 1845.6047 1937.7261 112.2733 0.0805 -1123.4993 0.0000 0.0000 2679.0387 6103.9793 295.9073 3424.9405 6135.5526 295.7984 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: 7997.79, 0.00391166/step Wall: 7997.79, 0.00391166/step, 0.553283 hours remaining, 115.257812 MB of memory in use. ENERGY: 1990800 631.3997 1848.4897 1964.7917 109.0721 1.2192 -1136.1563 0.0000 0.0000 2623.7866 6042.6027 289.8045 3418.8160 6072.1691 293.9957 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: 7998.57, 0.00393131/step Wall: 7998.57, 0.00393131/step, 0.555844 hours remaining, 115.261719 MB of memory in use. ENERGY: 1991000 648.3461 1822.3982 1925.3623 108.5061 -0.6982 -1119.1364 0.0000 0.0000 2666.0064 6050.7846 294.4678 3384.7782 6083.6843 293.3456 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: 7999.36, 0.0039102/step Wall: 7999.36, 0.00391021/step, 0.552642 hours remaining, 115.261719 MB of memory in use. ENERGY: 1991200 648.0611 1830.8709 1937.4856 116.0220 0.5962 -1115.2843 0.0000 0.0000 2668.6492 6086.4007 294.7597 3417.7515 6118.8528 292.7970 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: 8000.14, 0.0039088/step Wall: 8000.14, 0.0039088/step, 0.552226 hours remaining, 115.261719 MB of memory in use. ENERGY: 1991400 664.8899 1874.1804 1945.0193 104.0923 0.6500 -1137.4291 0.0000 0.0000 2678.8985 6130.3014 295.8918 3451.4029 6161.8748 295.7885 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: 8000.92, 0.0039118/step Wall: 8000.92, 0.0039118/step, 0.552434 hours remaining, 115.261719 MB of memory in use. ENERGY: 1991600 669.4205 1835.7570 1967.9277 103.0278 -0.0390 -1134.6616 0.0000 0.0000 2694.7411 6136.1736 297.6417 3441.4324 6166.5650 297.4434 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: 8001.7, 0.00391039/step Wall: 8001.7, 0.00391039/step, 0.552016 hours remaining, 115.265625 MB of memory in use. ENERGY: 1991800 658.5141 1828.4441 1970.2912 103.5767 -0.6386 -1121.9524 0.0000 0.0000 2673.2806 6111.5156 295.2713 3438.2350 6144.2925 296.9213 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: 8002.49, 0.00391106/step Wall: 8002.49, 0.00391106/step, 0.551895 hours remaining, 115.269531 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1992000 625.0271 1831.7878 1981.0276 113.7264 -0.0121 -1111.9967 0.0000 0.0000 2643.1338 6082.6939 291.9415 3439.5601 6113.0886 294.4994 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: 8003.27, 0.00391039/step Wall: 8003.27, 0.00391039/step, 0.551583 hours remaining, 115.269531 MB of memory in use. ENERGY: 1992200 640.2196 1879.0811 1950.8443 110.4942 -1.7580 -1137.8463 0.0000 0.0000 2682.1396 6123.1745 296.2498 3441.0349 6151.7618 295.6383 LDB: ============= START OF LOAD BALANCING ============== 8005.97 LDB: ============== END OF LOAD BALANCING =============== 8005.97 LDB: =============== DONE WITH MIGRATION ================ 8005.97 LDB: ============= START OF LOAD BALANCING ============== 8006.36 LDB: ============== END OF LOAD BALANCING =============== 8006.36 LDB: =============== DONE WITH MIGRATION ================ 8006.36 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: 8004.05, 0.0039126/step Wall: 8004.05, 0.0039126/step, 0.551676 hours remaining, 115.273438 MB of memory in use. ENERGY: 1992400 643.0315 1852.9083 1954.2578 118.0287 0.8376 -1094.2419 0.0000 0.0000 2678.9224 6153.7444 295.8944 3474.8220 6184.2802 296.3812 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: 8004.83, 0.00391263/step Wall: 8004.83, 0.00391263/step, 0.551464 hours remaining, 115.273438 MB of memory in use. ENERGY: 1992600 659.2541 1795.0739 1962.2817 119.2104 -0.2118 -1121.6315 0.0000 0.0000 2743.3347 6157.3116 303.0090 3413.9768 6191.8086 298.2560 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: 8005.61, 0.0039136/step Wall: 8005.61, 0.0039136/step, 0.551383 hours remaining, 115.277344 MB of memory in use. ENERGY: 1992800 648.0853 1903.7718 1992.6983 105.0355 -0.0563 -1102.6937 0.0000 0.0000 2686.2878 6233.1287 296.7080 3546.8409 6265.1930 300.3628 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: 8006.4, 0.00391567/step Wall: 8006.4, 0.00391567/step, 0.551456 hours remaining, 115.277344 MB of memory in use. ENERGY: 1993000 656.5625 1845.3507 1959.2251 122.3354 -0.4025 -1095.9222 0.0000 0.0000 2727.4892 6214.6383 301.2588 3487.1491 6248.4651 302.2646 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: 8007.18, 0.00390945/step Wall: 8007.18, 0.00390945/step, 0.550364 hours remaining, 115.277344 MB of memory in use. ENERGY: 1993200 644.6551 1833.9846 1981.0664 102.6741 0.0137 -1052.5222 0.0000 0.0000 2686.8658 6196.7374 296.7718 3509.8716 6228.3475 300.4389 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: 8007.96, 0.00391135/step Wall: 8007.96, 0.00391135/step, 0.550413 hours remaining, 115.277344 MB of memory in use. ENERGY: 1993400 709.5524 1823.9357 1971.4197 105.0565 0.6414 -1091.1023 0.0000 0.0000 2738.6137 6258.1170 302.4875 3519.5034 6289.6461 301.7917 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: 8008.74, 0.00390895/step Wall: 8008.74, 0.00390895/step, 0.549858 hours remaining, 115.277344 MB of memory in use. ENERGY: 1993600 699.5737 1860.2600 1974.4697 107.1099 0.9042 -1098.2401 0.0000 0.0000 2715.1864 6259.2638 299.8999 3544.0775 6292.6275 302.9154 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: 8009.53, 0.00390976/step Wall: 8009.53, 0.00390976/step, 0.549756 hours remaining, 115.281250 MB of memory in use. ENERGY: 1993800 658.0890 1841.6034 1957.1527 115.6470 0.7262 -1082.0382 0.0000 0.0000 2740.4432 6231.6233 302.6896 3491.1801 6267.4116 302.6084 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: 8010.31, 0.00390946/step Wall: 8010.31, 0.00390946/step, 0.549496 hours remaining, 115.285156 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1994000 647.6489 1858.9771 1957.3497 106.2429 0.8051 -1073.1394 0.0000 0.0000 2702.0226 6199.9068 298.4459 3497.8842 6233.1739 298.0899 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: 8011.09, 0.0039051/step Wall: 8011.09, 0.0039051/step, 0.548667 hours remaining, 115.289062 MB of memory in use. ENERGY: 1994200 648.8035 1875.3297 1946.7539 103.1632 0.1002 -1116.0888 0.0000 0.0000 2725.7206 6183.7823 301.0634 3458.0617 6219.6739 299.6917 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: 8011.87, 0.00390966/step Wall: 8011.87, 0.00390966/step, 0.54909 hours remaining, 115.289062 MB of memory in use. ENERGY: 1994400 652.2440 1880.8680 1958.7349 103.2815 0.5356 -1089.5451 0.0000 0.0000 2651.6437 6157.7626 292.8814 3506.1189 6188.2351 297.5782 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: 8012.65, 0.00390947/step Wall: 8012.65, 0.00390947/step, 0.548845 hours remaining, 115.292969 MB of memory in use. ENERGY: 1994600 656.9945 1856.6237 1981.1539 100.5751 0.4360 -1119.7268 0.0000 0.0000 2716.4706 6192.5270 300.0417 3476.0564 6225.8886 299.3925 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: 8013.43, 0.00390726/step Wall: 8013.43, 0.00390726/step, 0.548319 hours remaining, 115.292969 MB of memory in use. ENERGY: 1994800 622.9763 1845.4080 1953.8333 107.1020 0.0749 -1080.9413 0.0000 0.0000 2736.0914 6184.5446 302.2089 3448.4532 6219.4352 298.4710 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: 8014.21, 0.00390311/step Wall: 8014.21, 0.00390311/step, 0.547519 hours remaining, 115.292969 MB of memory in use. ENERGY: 1995000 635.8891 1847.0008 1958.7002 97.0071 1.2137 -1058.3741 0.0000 0.0000 2718.2396 6199.6764 300.2371 3481.4368 6232.5897 298.7483 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: 8015, 0.00390962/step Wall: 8015, 0.00390962/step, 0.548216 hours remaining, 115.296875 MB of memory in use. ENERGY: 1995200 669.1583 1762.7288 1948.7729 104.7360 1.1106 -1085.1395 0.0000 0.0000 2812.3055 6213.6726 310.6270 3401.3671 6247.3267 299.8555 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: 8015.78, 0.00390866/step Wall: 8015.78, 0.00390866/step, 0.547864 hours remaining, 115.296875 MB of memory in use. ENERGY: 1995400 655.3300 1869.3998 1981.5169 108.0782 2.3734 -1132.5148 0.0000 0.0000 2774.0022 6258.1858 306.3963 3484.1835 6293.7646 302.0073 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: 8016.56, 0.00390921/step Wall: 8016.56, 0.00390921/step, 0.547723 hours remaining, 115.296875 MB of memory in use. ENERGY: 1995600 647.9318 1818.5683 1990.0002 126.9298 0.8389 -1081.5571 0.0000 0.0000 2779.5769 6282.2888 307.0120 3502.7119 6318.1686 302.1824 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: 8017.34, 0.00390969/step Wall: 8017.34, 0.00390969/step, 0.547574 hours remaining, 115.296875 MB of memory in use. ENERGY: 1995800 663.9884 1860.3076 1972.3837 107.3541 1.1692 -1099.5048 0.0000 0.0000 2718.3803 6224.0785 300.2527 3505.6982 6259.7578 301.4759 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: 8018.12, 0.00390388/step Wall: 8018.12, 0.00390388/step, 0.546544 hours remaining, 115.296875 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1996000 695.6085 1856.5886 1967.3101 115.8133 2.7008 -1110.9963 0.0000 0.0000 2740.0077 6267.0328 302.6415 3527.0250 6299.6969 301.7086 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: 8018.91, 0.00391062/step Wall: 8018.91, 0.00391062/step, 0.547269 hours remaining, 115.296875 MB of memory in use. ENERGY: 1996200 682.5685 1856.5558 1974.4630 120.5667 -0.2612 -1072.0567 0.0000 0.0000 2762.9357 6324.7718 305.1739 3561.8361 6358.6879 306.3425 LDB: ============= START OF LOAD BALANCING ============== 8021.61 LDB: ============== END OF LOAD BALANCING =============== 8021.61 LDB: =============== DONE WITH MIGRATION ================ 8021.61 LDB: ============= START OF LOAD BALANCING ============== 8022 LDB: ============== END OF LOAD BALANCING =============== 8022 LDB: =============== DONE WITH MIGRATION ================ 8022 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: 8019.69, 0.00391513/step Wall: 8019.69, 0.00391513/step, 0.547684 hours remaining, 115.300781 MB of memory in use. ENERGY: 1996400 697.4631 1851.3933 1980.9085 107.6835 -0.0334 -1125.1307 0.0000 0.0000 2775.7742 6288.0585 306.5920 3512.2843 6321.5137 306.2191 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: 8020.47, 0.00391173/step Wall: 8020.47, 0.00391173/step, 0.546991 hours remaining, 115.300781 MB of memory in use. ENERGY: 1996600 671.3151 1845.4498 1957.4266 115.5103 -0.8837 -1090.9879 0.0000 0.0000 2738.4030 6236.2331 302.4642 3497.8301 6270.3628 303.2652 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: 8021.25, 0.00390396/step Wall: 8021.25, 0.00390396/step, 0.545688 hours remaining, 115.300781 MB of memory in use. ENERGY: 1996800 631.4292 1842.6121 1999.7463 117.6493 0.2860 -1097.5308 0.0000 0.0000 2704.4303 6198.6224 298.7119 3494.1921 6232.6590 299.4920 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: 8022.03, 0.00391056/step Wall: 8022.03, 0.00391056/step, 0.546392 hours remaining, 115.300781 MB of memory in use. ENERGY: 1997000 666.1341 1838.2378 1958.0277 112.0714 -1.7492 -1122.3995 0.0000 0.0000 2740.1678 6190.4901 302.6592 3450.3223 6224.6562 299.7328 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: 8022.82, 0.00391198/step Wall: 8022.82, 0.00391198/step, 0.546373 hours remaining, 115.308594 MB of memory in use. ENERGY: 1997200 692.5780 1813.4583 1944.7377 112.1744 -0.0964 -1077.9698 0.0000 0.0000 2757.6157 6242.4981 304.5863 3484.8823 6275.1321 300.4945 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: 8023.6, 0.00391054/step Wall: 8023.6, 0.00391054/step, 0.545955 hours remaining, 115.308594 MB of memory in use. ENERGY: 1997400 674.1302 1857.0705 1954.8577 115.9326 2.2709 -1069.1170 0.0000 0.0000 2753.1547 6288.2996 304.0936 3535.1449 6321.6229 304.3140 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: 8024.38, 0.00390973/step Wall: 8024.38, 0.00390973/step, 0.545625 hours remaining, 115.308594 MB of memory in use. ENERGY: 1997600 677.4325 1865.4300 1932.3953 113.5551 2.2253 -1098.2903 0.0000 0.0000 2758.1445 6250.8922 304.6447 3492.7477 6284.6589 303.9103 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: 8025.16, 0.00390489/step Wall: 8025.16, 0.00390489/step, 0.544732 hours remaining, 115.308594 MB of memory in use. ENERGY: 1997800 658.3811 1853.4281 1944.0339 89.8674 1.7391 -1106.9831 0.0000 0.0000 2770.3404 6210.8070 305.9918 3440.4666 6245.4137 300.9345 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: 8025.94, 0.00390711/step Wall: 8025.94, 0.00390711/step, 0.544825 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 1998000 664.8422 1886.7121 1956.6960 107.5124 1.7264 -1137.0813 0.0000 0.0000 2749.2306 6229.6384 303.6602 3480.4078 6261.4996 301.1317 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: 8026.72, 0.00390913/step Wall: 8026.72, 0.00390913/step, 0.544889 hours remaining, 115.308594 MB of memory in use. ENERGY: 1998200 670.1281 1841.3582 1957.2489 106.4908 1.1738 -1091.7186 0.0000 0.0000 2726.4443 6211.1255 301.1434 3484.6812 6244.0203 300.4466 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: 8027.51, 0.00390753/step Wall: 8027.51, 0.00390753/step, 0.544449 hours remaining, 115.308594 MB of memory in use. ENERGY: 1998400 677.9571 1813.8038 1963.4977 112.3770 1.4859 -1119.9381 0.0000 0.0000 2736.7120 6185.8955 302.2775 3449.1835 6219.6070 301.1575 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: 8028.29, 0.0039059/step Wall: 8028.29, 0.0039059/step, 0.544005 hours remaining, 115.308594 MB of memory in use. ENERGY: 1998600 679.7486 1853.6728 1951.2258 104.3853 2.1699 -1107.2685 0.0000 0.0000 2747.9323 6231.8662 303.5168 3483.9339 6267.1695 300.4199 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: 8029.07, 0.00390924/step Wall: 8029.07, 0.00390923/step, 0.544252 hours remaining, 115.308594 MB of memory in use. ENERGY: 1998800 667.4999 1847.1554 1962.8181 123.0791 0.4724 -1087.5807 0.0000 0.0000 2719.7766 6233.2207 300.4069 3513.4441 6265.7766 302.2268 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: 8029.85, 0.00390821/step Wall: 8029.85, 0.00390821/step, 0.543893 hours remaining, 115.308594 MB of memory in use. ENERGY: 1999000 671.7360 1849.7943 1938.8481 103.2494 2.1134 -1087.0427 0.0000 0.0000 2697.5890 6176.2874 297.9562 3478.6984 6209.4855 299.1125 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: 8030.63, 0.00391006/step Wall: 8030.63, 0.00391006/step, 0.543933 hours remaining, 115.308594 MB of memory in use. ENERGY: 1999200 656.1203 1889.4894 1949.2160 108.6544 0.7008 -1116.6600 0.0000 0.0000 2689.0854 6176.6063 297.0170 3487.5209 6207.8625 300.5750 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: 8031.41, 0.00390904/step Wall: 8031.41, 0.00390904/step, 0.543574 hours remaining, 115.308594 MB of memory in use. ENERGY: 1999400 665.5072 1817.6580 1954.3429 120.9210 0.4771 -1082.6058 0.0000 0.0000 2768.7677 6245.0681 305.8181 3476.3004 6281.7426 301.3827 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: 8032.19, 0.00390289/step Wall: 8032.19, 0.00390289/step, 0.542502 hours remaining, 115.308594 MB of memory in use. ENERGY: 1999600 656.2749 1808.4675 1983.3219 108.9773 1.3263 -1076.1050 0.0000 0.0000 2744.2288 6226.4918 303.1077 3482.2630 6258.5656 302.4449 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: 8032.98, 0.00390961/step Wall: 8032.98, 0.00390961/step, 0.543218 hours remaining, 115.308594 MB of memory in use. ENERGY: 1999800 607.9504 1850.2566 1967.6781 106.6944 -0.1852 -1097.6834 0.0000 0.0000 2723.9394 6158.6503 300.8667 3434.7109 6188.7268 300.6062 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: 8033.76, 0.00390754/step Wall: 8033.76, 0.00390754/step, 0.542713 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2000000 623.6891 1815.6544 1946.7808 110.3437 0.5335 -1081.3038 0.0000 0.0000 2699.7748 6115.4724 298.1976 3415.6976 6148.8227 296.4299 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2000000 WRITING COORDINATES TO DCD FILE MD.1.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: 8034.58, 0.00411652/step Wall: 8034.58, 0.00411652/step, 0.57151 hours remaining, 115.308594 MB of memory in use. ENERGY: 2000200 686.1457 1866.2595 1963.4452 111.3916 -0.2330 -1121.9711 0.0000 0.0000 2647.2530 6152.2908 292.3965 3505.0378 6184.6772 296.4737 LDB: ============= START OF LOAD BALANCING ============== 8037.28 LDB: ============== END OF LOAD BALANCING =============== 8037.28 LDB: =============== DONE WITH MIGRATION ================ 8037.28 LDB: ============= START OF LOAD BALANCING ============== 8037.67 LDB: ============== END OF LOAD BALANCING =============== 8037.67 LDB: =============== DONE WITH MIGRATION ================ 8037.67 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: 8035.36, 0.00391151/step Wall: 8035.36, 0.00391151/step, 0.542831 hours remaining, 115.308594 MB of memory in use. ENERGY: 2000400 678.0370 1878.6607 1940.4281 108.0465 -0.0769 -1072.1960 0.0000 0.0000 2666.8375 6199.7368 294.5596 3532.8994 6232.0033 299.9222 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: 8036.14, 0.00390314/step Wall: 8036.14, 0.00390314/step, 0.541453 hours remaining, 115.308594 MB of memory in use. ENERGY: 2000600 679.4061 1843.5977 1964.4371 113.4464 0.2518 -1098.1694 0.0000 0.0000 2715.7654 6218.7350 299.9639 3502.9697 6252.6230 300.6485 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: 8036.93, 0.00390783/step Wall: 8036.93, 0.00390783/step, 0.541885 hours remaining, 115.308594 MB of memory in use. ENERGY: 2000800 624.4830 1853.8989 1963.0297 110.4194 2.6892 -1072.0518 0.0000 0.0000 2751.0007 6233.4692 303.8557 3482.4684 6269.0032 300.3639 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: 8037.71, 0.0039117/step Wall: 8037.71, 0.0039117/step, 0.542205 hours remaining, 115.308594 MB of memory in use. ENERGY: 2001000 658.3081 1833.4473 1951.9718 109.4170 1.1230 -1068.7535 0.0000 0.0000 2767.2387 6252.7523 305.6492 3485.5136 6287.7413 301.2272 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: 8038.49, 0.00390525/step Wall: 8038.49, 0.00390525/step, 0.541093 hours remaining, 115.308594 MB of memory in use. ENERGY: 2001200 694.5248 1842.5195 1946.2567 109.5541 1.4052 -1075.1443 0.0000 0.0000 2703.0936 6222.2095 298.5642 3519.1159 6254.4877 301.2839 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: 8039.27, 0.00390262/step Wall: 8039.27, 0.00390262/step, 0.540512 hours remaining, 115.308594 MB of memory in use. ENERGY: 2001400 643.2654 1862.1561 1983.0569 110.2078 1.1687 -1114.4453 0.0000 0.0000 2722.8478 6208.2575 300.7461 3485.4098 6241.8737 301.2250 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: 8040.05, 0.00390489/step Wall: 8040.05, 0.00390489/step, 0.540611 hours remaining, 115.308594 MB of memory in use. ENERGY: 2001600 632.9431 1867.7108 1939.2954 105.0108 0.0969 -1068.4125 0.0000 0.0000 2801.0625 6277.7070 309.3852 3476.6445 6312.3898 301.8467 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: 8040.83, 0.00390704/step Wall: 8040.83, 0.00390704/step, 0.54069 hours remaining, 115.308594 MB of memory in use. ENERGY: 2001800 656.6171 1874.8933 1943.5755 108.4634 1.1519 -1072.3150 0.0000 0.0000 2769.4823 6281.8685 305.8970 3512.3862 6313.6647 305.0036 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: 8041.61, 0.00390517/step Wall: 8041.61, 0.00390517/step, 0.540215 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2002000 675.1074 1872.3578 1991.1057 118.2188 0.8557 -1063.5047 0.0000 0.0000 2741.9774 6336.1180 302.8590 3594.1406 6370.2741 305.5032 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: 8042.39, 0.00390658/step Wall: 8042.39, 0.00390658/step, 0.540194 hours remaining, 115.308594 MB of memory in use. ENERGY: 2002200 647.3004 1840.0976 1950.4400 111.1070 0.9864 -1016.4585 0.0000 0.0000 2772.7729 6306.2459 306.2605 3533.4730 6341.0280 305.3099 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: 8043.18, 0.00390268/step Wall: 8043.18, 0.00390268/step, 0.539437 hours remaining, 115.308594 MB of memory in use. ENERGY: 2002400 635.4672 1826.1561 1972.4525 108.9974 0.2097 -1064.7617 0.0000 0.0000 2771.3800 6249.9012 306.1066 3478.5212 6284.3874 304.6392 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: 8043.96, 0.00390571/step Wall: 8043.96, 0.00390571/step, 0.539638 hours remaining, 115.308594 MB of memory in use. ENERGY: 2002600 624.3541 1844.1100 1959.5780 110.2130 1.5972 -1056.6213 0.0000 0.0000 2774.8842 6258.1153 306.4937 3483.2311 6294.8729 302.8568 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: 8044.74, 0.0039064/step Wall: 8044.74, 0.0039064/step, 0.539517 hours remaining, 115.308594 MB of memory in use. ENERGY: 2002800 684.1486 1859.9614 1953.8520 111.9769 1.2558 -1087.4237 0.0000 0.0000 2749.0603 6272.8314 303.6414 3523.7711 6309.8959 300.7330 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: 8045.52, 0.00390668/step Wall: 8045.52, 0.00390668/step, 0.539339 hours remaining, 115.308594 MB of memory in use. ENERGY: 2003000 639.7486 1814.8954 1995.7000 105.8022 0.6217 -1111.1625 0.0000 0.0000 2786.6668 6232.2723 307.7951 3445.6055 6268.5360 303.2740 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: 8046.3, 0.00390386/step Wall: 8046.3, 0.00390386/step, 0.538733 hours remaining, 115.308594 MB of memory in use. ENERGY: 2003200 643.5120 1863.8694 1961.2415 103.2817 2.4253 -1101.0211 0.0000 0.0000 2743.5949 6216.9037 303.0377 3473.3088 6251.1885 301.3507 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: 8047.08, 0.00390579/step Wall: 8047.08, 0.00390579/step, 0.538782 hours remaining, 115.308594 MB of memory in use. ENERGY: 2003400 617.6479 1841.5981 1957.0694 102.1578 1.5742 -1072.4537 0.0000 0.0000 2739.7387 6187.3323 302.6118 3447.5936 6224.7496 301.4341 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: 8047.86, 0.00390445/step Wall: 8047.86, 0.00390445/step, 0.538381 hours remaining, 115.308594 MB of memory in use. ENERGY: 2003600 641.6852 1894.8860 1957.7058 103.7707 0.6676 -1077.3613 0.0000 0.0000 2640.2679 6161.6219 291.6249 3521.3540 6191.3953 298.3205 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: 8048.64, 0.00390531/step Wall: 8048.64, 0.00390531/step, 0.538282 hours remaining, 115.308594 MB of memory in use. ENERGY: 2003800 668.0106 1835.1318 1961.3729 114.5966 1.7239 -1062.6399 0.0000 0.0000 2650.7382 6168.9341 292.7814 3518.1959 6200.5850 296.7113 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: 8049.42, 0.00390423/step Wall: 8049.42, 0.00390423/step, 0.537916 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2004000 669.2860 1862.5797 1956.2105 109.9620 1.2244 -1086.0813 0.0000 0.0000 2675.5256 6188.7071 295.5193 3513.1814 6220.1850 297.1142 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: 8050.21, 0.00391373/step Wall: 8050.21, 0.00391373/step, 0.539007 hours remaining, 115.308594 MB of memory in use. ENERGY: 2004200 671.0285 1881.2644 1952.5854 99.6674 0.4197 -1129.7437 0.0000 0.0000 2751.5158 6226.7375 303.9126 3475.2217 6259.8359 300.5178 LDB: ============= START OF LOAD BALANCING ============== 8052.91 LDB: ============== END OF LOAD BALANCING =============== 8052.91 LDB: =============== DONE WITH MIGRATION ================ 8052.91 LDB: ============= START OF LOAD BALANCING ============== 8053.3 LDB: ============== END OF LOAD BALANCING =============== 8053.3 LDB: =============== DONE WITH MIGRATION ================ 8053.3 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: 8050.99, 0.00391337/step Wall: 8050.99, 0.00391337/step, 0.538741 hours remaining, 115.308594 MB of memory in use. ENERGY: 2004400 668.0728 1818.1425 1956.5018 98.7053 1.0053 -1108.9756 0.0000 0.0000 2755.4853 6188.9373 304.3510 3433.4520 6223.9505 301.8868 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: 8051.77, 0.00390761/step Wall: 8051.77, 0.00390761/step, 0.53773 hours remaining, 115.308594 MB of memory in use. ENERGY: 2004600 656.4134 1819.5613 1921.3121 111.2330 1.2657 -1073.7466 0.0000 0.0000 2716.8805 6152.9194 300.0870 3436.0389 6184.9739 299.0367 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: 8052.55, 0.00390699/step Wall: 8052.55, 0.00390699/step, 0.537428 hours remaining, 115.308594 MB of memory in use. ENERGY: 2004800 629.0254 1854.5321 1940.8832 113.1475 0.0194 -1092.5146 0.0000 0.0000 2661.5161 6106.6092 293.9719 3445.0931 6140.5423 295.5118 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: 8053.33, 0.00390447/step Wall: 8053.33, 0.00390447/step, 0.536865 hours remaining, 115.308594 MB of memory in use. ENERGY: 2005000 653.9709 1798.5475 1940.0803 127.7300 0.7227 -1088.1865 0.0000 0.0000 2673.9624 6106.8273 295.3466 3432.8649 6139.5188 293.3987 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: 8054.11, 0.00390667/step Wall: 8054.11, 0.00390667/step, 0.53695 hours remaining, 115.308594 MB of memory in use. ENERGY: 2005200 649.1881 1802.7480 1951.5468 108.1588 1.4848 -1096.4659 0.0000 0.0000 2709.6466 6126.3072 299.2880 3416.6606 6163.2507 296.0506 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: 8054.9, 0.00390718/step Wall: 8054.9, 0.00390718/step, 0.536804 hours remaining, 115.308594 MB of memory in use. ENERGY: 2005400 636.4363 1804.2008 1931.9582 100.0106 1.7775 -1107.6154 0.0000 0.0000 2769.3670 6136.1350 305.8843 3366.7680 6170.6137 297.7222 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: 8055.68, 0.00390743/step Wall: 8055.68, 0.00390743/step, 0.53662 hours remaining, 115.308594 MB of memory in use. ENERGY: 2005600 636.0506 1829.4610 1938.7760 99.2618 2.3875 -1075.4679 0.0000 0.0000 2713.5310 6144.0000 299.7171 3430.4690 6177.0850 296.1384 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: 8056.46, 0.00390944/step Wall: 8056.46, 0.00390944/step, 0.53668 hours remaining, 115.308594 MB of memory in use. ENERGY: 2005800 664.1711 1860.4454 1951.0612 100.2667 2.0648 -1111.0726 0.0000 0.0000 2702.6397 6169.5762 298.5141 3466.9365 6201.3075 298.8586 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: 8057.24, 0.00390553/step Wall: 8057.24, 0.00390553/step, 0.535926 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2006000 621.8282 1831.3158 1983.9681 107.7459 1.5044 -1095.5681 0.0000 0.0000 2735.6717 6186.4659 302.1626 3450.7942 6223.9955 300.2355 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: 8058.02, 0.00390895/step Wall: 8058.02, 0.00390895/step, 0.536177 hours remaining, 115.308594 MB of memory in use. ENERGY: 2006200 654.1630 1837.3869 1969.9591 105.0283 2.0144 -1085.4706 0.0000 0.0000 2726.9895 6210.0705 301.2036 3483.0810 6241.8071 300.0848 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: 8060.04, 0.0100708/step Wall: 8060.04, 0.0100708/step, 1.38082 hours remaining, 115.308594 MB of memory in use. ENERGY: 2006400 632.6860 1875.5759 1957.0142 103.4390 2.3171 -1057.6378 0.0000 0.0000 2680.9659 6194.3603 296.1201 3513.3944 6227.0007 300.3402 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: 8060.82, 0.00394026/step Wall: 8060.82, 0.00394026/step, 0.540035 hours remaining, 115.308594 MB of memory in use. ENERGY: 2006600 678.1676 1808.9323 1960.6357 106.2973 2.2764 -1048.7839 0.0000 0.0000 2737.9143 6245.4396 302.4103 3507.5253 6277.4899 301.7891 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: 8061.61, 0.00390725/step Wall: 8061.61, 0.00390725/step, 0.535293 hours remaining, 115.308594 MB of memory in use. ENERGY: 2006800 655.0638 1904.5386 1923.8798 101.8502 1.9128 -1074.4492 0.0000 0.0000 2699.9899 6212.7860 298.2214 3512.7961 6245.1649 301.4580 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: 8062.39, 0.00390897/step Wall: 8062.39, 0.00390897/step, 0.535312 hours remaining, 115.308594 MB of memory in use. ENERGY: 2007000 623.8531 1814.7567 1962.5680 114.0465 1.9873 -1062.1338 0.0000 0.0000 2709.8637 6164.9415 299.3120 3455.0778 6196.6655 297.7980 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: 8063.17, 0.00390578/step Wall: 8063.17, 0.00390578/step, 0.534657 hours remaining, 115.308594 MB of memory in use. ENERGY: 2007200 693.5461 1825.4301 1967.6711 107.3102 0.9953 -1109.8040 0.0000 0.0000 2736.7727 6221.9214 302.2842 3485.1487 6256.0784 299.1700 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: 8063.95, 0.0039076/step Wall: 8063.95, 0.0039076/step, 0.534691 hours remaining, 115.308594 MB of memory in use. ENERGY: 2007400 668.6544 1854.8026 1941.4266 97.8430 1.7001 -1106.2522 0.0000 0.0000 2725.8811 6184.0556 301.0812 3458.1746 6218.4174 301.0306 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: 8064.73, 0.00390898/step Wall: 8064.73, 0.00390898/step, 0.534661 hours remaining, 115.308594 MB of memory in use. ENERGY: 2007600 673.3441 1855.3987 1943.5897 116.4248 1.7570 -1087.5215 0.0000 0.0000 2680.9294 6183.9222 296.1161 3502.9927 6216.2549 300.9354 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: 8065.51, 0.00390892/step Wall: 8065.51, 0.00390893/step, 0.534438 hours remaining, 115.308594 MB of memory in use. ENERGY: 2007800 638.1766 1849.3037 1952.7718 101.6761 0.8270 -1093.3084 0.0000 0.0000 2694.7496 6144.1964 297.6426 3449.4468 6180.2335 297.3946 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: 8066.29, 0.0039064/step Wall: 8066.29, 0.0039064/step, 0.533875 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2008000 688.4433 1836.5792 1961.5060 106.8931 2.1362 -1072.1568 0.0000 0.0000 2717.5971 6240.9980 300.1662 3523.4010 6274.2669 300.7570 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: 8067.08, 0.00390901/step Wall: 8067.08, 0.00390901/step, 0.534014 hours remaining, 115.308594 MB of memory in use. ENERGY: 2008200 668.6456 1820.1646 1948.2480 108.4162 2.3533 -1079.1250 0.0000 0.0000 2721.3095 6190.0123 300.5762 3468.7028 6225.2969 300.7301 LDB: ============= START OF LOAD BALANCING ============== 8069.78 LDB: ============== END OF LOAD BALANCING =============== 8069.78 LDB: =============== DONE WITH MIGRATION ================ 8069.78 LDB: ============= START OF LOAD BALANCING ============== 8070.17 LDB: ============== END OF LOAD BALANCING =============== 8070.17 LDB: =============== DONE WITH MIGRATION ================ 8070.17 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: 8067.86, 0.0039151/step Wall: 8067.86, 0.0039151/step, 0.534629 hours remaining, 115.308594 MB of memory in use. ENERGY: 2008400 643.9117 1868.9450 1942.7405 104.5873 1.7371 -1126.2963 0.0000 0.0000 2778.6959 6214.3211 306.9147 3435.6252 6249.4595 300.8852 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: 8068.64, 0.00390973/step Wall: 8068.64, 0.00390973/step, 0.533679 hours remaining, 115.308594 MB of memory in use. ENERGY: 2008600 681.6732 1883.8125 1939.6670 112.5912 2.0007 -1101.6410 0.0000 0.0000 2729.8877 6247.9912 301.5237 3518.1035 6276.9448 302.9998 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: 8069.42, 0.00390884/step Wall: 8069.42, 0.00390884/step, 0.53334 hours remaining, 115.308594 MB of memory in use. ENERGY: 2008800 687.1957 1916.3301 1927.9280 107.2243 2.3633 -1100.2583 0.0000 0.0000 2672.8612 6213.6443 295.2250 3540.7831 6243.9766 301.4461 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: 8070.2, 0.00390532/step Wall: 8070.2, 0.00390532/step, 0.532642 hours remaining, 115.308594 MB of memory in use. ENERGY: 2009000 633.1792 1858.5179 1940.0269 99.7869 1.6441 -1094.2256 0.0000 0.0000 2722.9580 6161.8875 300.7583 3438.9295 6193.0842 300.0616 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: 8070.99, 0.00390954/step Wall: 8070.99, 0.00390954/step, 0.533001 hours remaining, 115.308594 MB of memory in use. ENERGY: 2009200 656.7097 1809.2997 1963.0130 114.1727 1.3216 -1114.4638 0.0000 0.0000 2714.4307 6144.4836 299.8164 3430.0530 6179.1362 296.8288 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: 8071.77, 0.00390863/step Wall: 8071.77, 0.00390863/step, 0.532659 hours remaining, 115.308594 MB of memory in use. ENERGY: 2009400 669.1816 1867.3580 1932.1149 89.8528 1.1974 -1120.4558 0.0000 0.0000 2716.3683 6155.6173 300.0304 3439.2489 6188.3945 297.9779 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: 8072.55, 0.00390721/step Wall: 8072.55, 0.00390721/step, 0.532249 hours remaining, 115.308594 MB of memory in use. ENERGY: 2009600 658.9957 1865.9736 1937.9916 111.8649 1.5235 -1076.2655 0.0000 0.0000 2726.0054 6226.0892 301.0949 3500.0838 6262.0862 301.4320 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: 8073.33, 0.00390522/step Wall: 8073.33, 0.00390521/step, 0.531759 hours remaining, 115.308594 MB of memory in use. ENERGY: 2009800 664.9039 1877.8787 1928.5127 104.1575 1.5318 -1099.7055 0.0000 0.0000 2726.4312 6203.7102 301.1419 3477.2790 6239.4511 301.6344 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: 8074.11, 0.00390738/step Wall: 8074.11, 0.00390739/step, 0.531839 hours remaining, 115.308594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2010000 657.5824 1860.0812 1937.1579 113.8300 0.6224 -1095.8857 0.0000 0.0000 2712.8283 6186.2164 299.6394 3473.3881 6220.4129 302.0751 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2010000 WRITING COORDINATES TO DCD FILE MD.1.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: 8074.99, 0.00441424/step Wall: 8074.99, 0.00441424/step, 0.600583 hours remaining, 115.308594 MB of memory in use. ENERGY: 2010200 661.4973 1773.5107 1935.2362 137.8584 2.0860 -1093.2997 0.0000 0.0000 2781.0115 6197.9003 307.1705 3416.8888 6232.6502 301.1108 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: 8075.78, 0.00390675/step Wall: 8075.78, 0.00390675/step, 0.531317 hours remaining, 115.312500 MB of memory in use. ENERGY: 2010400 668.7170 1837.3402 1931.1382 107.5010 -0.3084 -1078.7193 0.0000 0.0000 2746.9211 6212.5897 303.4051 3465.6686 6247.7071 301.8326 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: 8076.56, 0.00390711/step Wall: 8076.56, 0.00390711/step, 0.53115 hours remaining, 115.316406 MB of memory in use. ENERGY: 2010600 660.4006 1887.7394 1942.6161 102.4199 1.5654 -1070.2778 0.0000 0.0000 2713.5373 6238.0009 299.7178 3524.4636 6271.0052 301.2740 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: 8077.34, 0.00390565/step Wall: 8077.34, 0.00390565/step, 0.530734 hours remaining, 115.316406 MB of memory in use. ENERGY: 2010800 682.0819 1908.2975 1937.0796 103.6213 1.1747 -1104.4416 0.0000 0.0000 2729.9882 6257.8016 301.5348 3527.8134 6293.3052 302.5824 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: 8078.12, 0.0039186/step Wall: 8078.12, 0.0039186/step, 0.532276 hours remaining, 115.316406 MB of memory in use. ENERGY: 2011000 667.5092 1858.7479 1957.5245 114.0764 0.2127 -1088.4745 0.0000 0.0000 2751.9772 6261.5735 303.9636 3509.5963 6296.0247 303.5264 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: 8078.9, 0.00390881/step Wall: 8078.9, 0.00390881/step, 0.530729 hours remaining, 115.316406 MB of memory in use. ENERGY: 2011200 685.6742 1866.8874 2002.3170 102.8419 0.4449 -1145.6802 0.0000 0.0000 2741.4186 6253.9037 302.7973 3512.4851 6289.1657 302.3881 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: 8079.69, 0.00390707/step Wall: 8079.69, 0.00390707/step, 0.530276 hours remaining, 115.316406 MB of memory in use. ENERGY: 2011400 666.3677 1856.1211 1955.5721 112.6462 1.6088 -1112.6121 0.0000 0.0000 2749.0046 6228.7085 303.6352 3479.7039 6263.5517 302.1606 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: 8080.47, 0.00390805/step Wall: 8080.47, 0.00390805/step, 0.530193 hours remaining, 115.316406 MB of memory in use. ENERGY: 2011600 641.3224 1836.6299 1961.5515 112.4384 2.3237 -1093.4374 0.0000 0.0000 2768.0146 6228.8432 305.7349 3460.8286 6265.7028 301.9011 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: 8081.25, 0.0039053/step Wall: 8081.25, 0.0039053/step, 0.529603 hours remaining, 115.316406 MB of memory in use. ENERGY: 2011800 651.4954 1886.2816 1963.2466 115.2112 1.5378 -1104.5932 0.0000 0.0000 2655.7536 6168.9329 293.3354 3513.1793 6198.4131 300.2578 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: 8082.03, 0.00391069/step Wall: 8082.03, 0.00391069/step, 0.530116 hours remaining, 115.316406 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2012000 640.4912 1837.6255 1952.6164 104.8670 0.8626 -1119.2608 0.0000 0.0000 2736.6169 6153.8187 302.2670 3417.2018 6189.3404 298.6603 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: 8082.81, 0.00390989/step Wall: 8082.81, 0.00390989/step, 0.529791 hours remaining, 115.316406 MB of memory in use. ENERGY: 2012200 683.7405 1810.9489 1958.3017 116.5426 0.8904 -1072.5393 0.0000 0.0000 2742.2611 6240.1459 302.8904 3497.8848 6272.5515 300.1696 LDB: ============= START OF LOAD BALANCING ============== 8085.51 LDB: ============== END OF LOAD BALANCING =============== 8085.51 LDB: =============== DONE WITH MIGRATION ================ 8085.51 LDB: ============= START OF LOAD BALANCING ============== 8085.9 LDB: ============== END OF LOAD BALANCING =============== 8085.9 LDB: =============== DONE WITH MIGRATION ================ 8085.9 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: 8083.6, 0.00391332/step Wall: 8083.6, 0.00391331/step, 0.530036 hours remaining, 115.316406 MB of memory in use. ENERGY: 2012400 677.6941 1868.8472 1941.2858 106.7981 0.7976 -1090.3710 0.0000 0.0000 2715.6118 6220.6636 299.9469 3505.0518 6251.6525 300.7849 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: 8084.38, 0.00390363/step Wall: 8084.38, 0.00390363/step, 0.528509 hours remaining, 115.320312 MB of memory in use. ENERGY: 2012600 667.2341 1797.9530 1947.9090 106.8596 1.1574 -1062.2292 0.0000 0.0000 2732.0387 6190.9225 301.7613 3458.8838 6227.0161 300.8359 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: 8085.16, 0.00390738/step Wall: 8085.16, 0.00390738/step, 0.528798 hours remaining, 115.320312 MB of memory in use. ENERGY: 2012800 674.4376 1861.6858 1937.7960 108.9296 1.2240 -1064.6493 0.0000 0.0000 2729.0963 6248.5199 301.4363 3519.4236 6280.3227 300.6357 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: 8085.94, 0.0039089/step Wall: 8085.94, 0.0039089/step, 0.528787 hours remaining, 115.324219 MB of memory in use. ENERGY: 2013000 660.7885 1899.9032 1941.1638 116.1041 2.4950 -1078.6845 0.0000 0.0000 2718.2664 6260.0365 300.2401 3541.7701 6292.8795 302.3484 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: 8086.72, 0.00390944/step Wall: 8086.72, 0.00390944/step, 0.528643 hours remaining, 115.324219 MB of memory in use. ENERGY: 2013200 629.7381 1824.1826 1950.9442 106.7270 0.7782 -1084.0315 0.0000 0.0000 2800.0749 6228.4135 309.2761 3428.3386 6263.3013 302.4813 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: 8087.5, 0.00390814/step Wall: 8087.5, 0.00390814/step, 0.52825 hours remaining, 115.324219 MB of memory in use. ENERGY: 2013400 656.4446 1890.3251 1929.1491 106.8982 1.0747 -1110.0386 0.0000 0.0000 2772.3243 6246.1773 306.2109 3473.8531 6280.2972 305.1717 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: 8088.28, 0.00390316/step Wall: 8088.28, 0.00390316/step, 0.52736 hours remaining, 115.324219 MB of memory in use. ENERGY: 2013600 684.8055 1853.9987 1927.1145 106.9638 2.1371 -1119.1489 0.0000 0.0000 2749.5275 6205.3981 303.6930 3455.8707 6242.7244 301.2296 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: 8089.07, 0.00390885/step Wall: 8089.07, 0.00390885/step, 0.527913 hours remaining, 115.324219 MB of memory in use. ENERGY: 2013800 651.7176 1920.8406 1931.2745 103.9698 2.6629 -1087.1042 0.0000 0.0000 2703.1508 6226.5121 298.5705 3523.3612 6260.6213 299.4245 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: 8089.85, 0.0039074/step Wall: 8089.85, 0.0039074/step, 0.527498 hours remaining, 115.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2014000 675.8064 1857.6802 1934.9644 112.4722 3.4870 -1068.6214 0.0000 0.0000 2679.6359 6195.4246 295.9732 3515.7887 6226.3518 298.9819 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: 8090.63, 0.00390602/step Wall: 8090.63, 0.00390602/step, 0.527096 hours remaining, 115.324219 MB of memory in use. ENERGY: 2014200 646.9487 1813.8622 1969.1951 108.9291 3.0258 -1091.0912 0.0000 0.0000 2710.2920 6161.1617 299.3593 3450.8697 6193.5708 299.2130 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: 8091.41, 0.00390141/step Wall: 8091.41, 0.00390141/step, 0.526257 hours remaining, 115.324219 MB of memory in use. ENERGY: 2014400 652.2376 1833.6159 1967.7580 98.5672 2.0266 -1094.2899 0.0000 0.0000 2723.4879 6183.4033 300.8168 3459.9154 6217.8748 299.5806 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: 8092.19, 0.00390574/step Wall: 8092.19, 0.00390574/step, 0.526625 hours remaining, 115.324219 MB of memory in use. ENERGY: 2014600 664.9057 1854.8531 1950.6311 109.2259 1.6009 -1093.9540 0.0000 0.0000 2724.6023 6211.8650 300.9399 3487.2626 6242.4399 299.5044 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: 8092.97, 0.00390765/step Wall: 8092.97, 0.00390765/step, 0.526664 hours remaining, 115.324219 MB of memory in use. ENERGY: 2014800 672.6213 1807.2950 1952.2745 110.3748 2.0891 -1064.1209 0.0000 0.0000 2719.9021 6200.4358 300.4208 3480.5337 6235.4929 301.5587 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: 8093.75, 0.00390877/step Wall: 8093.75, 0.00390877/step, 0.526598 hours remaining, 115.324219 MB of memory in use. ENERGY: 2015000 701.6204 1823.1231 1985.0139 104.2924 1.9354 -1139.0076 0.0000 0.0000 2703.4984 6180.4760 298.6089 3476.9776 6216.5521 300.9969 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: 8094.53, 0.00390773/step Wall: 8094.53, 0.00390773/step, 0.52624 hours remaining, 115.324219 MB of memory in use. ENERGY: 2015200 675.3369 1843.6806 1966.8601 113.3714 1.8431 -1087.8221 0.0000 0.0000 2668.6414 6181.9114 294.7589 3513.2700 6212.1262 298.3301 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: 8095.31, 0.0039038/step Wall: 8095.31, 0.0039038/step, 0.525495 hours remaining, 115.324219 MB of memory in use. ENERGY: 2015400 649.8299 1859.9901 1949.2308 122.2284 0.8116 -1089.0799 0.0000 0.0000 2686.9194 6179.9303 296.7777 3493.0109 6214.4006 299.7219 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: 8096.1, 0.00390789/step Wall: 8096.1, 0.00390789/step, 0.525828 hours remaining, 115.324219 MB of memory in use. ENERGY: 2015600 661.2095 1843.7447 1944.0611 116.5200 1.3033 -1110.3695 0.0000 0.0000 2689.4942 6145.9633 297.0621 3456.4691 6177.5046 298.2026 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: 8096.88, 0.00390924/step Wall: 8096.88, 0.00390924/step, 0.525793 hours remaining, 115.324219 MB of memory in use. ENERGY: 2015800 640.8563 1811.1652 1944.4968 116.2534 0.7012 -1124.9697 0.0000 0.0000 2712.2592 6100.7624 299.5766 3388.5032 6134.5563 296.9097 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: 8097.66, 0.00390878/step Wall: 8097.66, 0.00390878/step, 0.525514 hours remaining, 115.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2016000 624.8964 1825.0824 1944.4224 110.7397 1.3637 -1120.8468 0.0000 0.0000 2709.1924 6094.8501 299.2378 3385.6577 6130.6300 295.0909 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: 8098.44, 0.00390529/step Wall: 8098.44, 0.00390529/step, 0.524827 hours remaining, 115.324219 MB of memory in use. ENERGY: 2016200 666.1443 1835.6117 1951.0862 107.1633 1.7252 -1102.9657 0.0000 0.0000 2699.0073 6157.7723 298.1129 3458.7650 6191.1329 297.2682 LDB: ============= START OF LOAD BALANCING ============== 8101.14 LDB: ============== END OF LOAD BALANCING =============== 8101.14 LDB: =============== DONE WITH MIGRATION ================ 8101.14 LDB: ============= START OF LOAD BALANCING ============== 8101.53 LDB: ============== END OF LOAD BALANCING =============== 8101.53 LDB: =============== DONE WITH MIGRATION ================ 8101.53 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: 8099.22, 0.00391189/step Wall: 8099.22, 0.00391189/step, 0.525497 hours remaining, 115.324219 MB of memory in use. ENERGY: 2016400 647.1032 1808.2951 1965.5262 103.8458 1.2574 -1083.4194 0.0000 0.0000 2723.0355 6165.6439 300.7669 3442.6084 6201.3854 297.8547 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: 8100.01, 0.00390887/step Wall: 8100.01, 0.00390887/step, 0.524874 hours remaining, 115.324219 MB of memory in use. ENERGY: 2016600 644.9137 1828.9035 1956.0621 105.5455 1.8082 -1092.5878 0.0000 0.0000 2677.3326 6121.9778 295.7188 3444.6452 6156.2390 297.1607 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: 8100.79, 0.00390978/step Wall: 8100.79, 0.00390978/step, 0.52478 hours remaining, 115.324219 MB of memory in use. ENERGY: 2016800 653.5477 1885.1409 1932.8294 114.7762 0.3390 -1091.1745 0.0000 0.0000 2705.6620 6201.1207 298.8479 3495.4588 6232.8337 299.7602 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: 8101.57, 0.00392462/step Wall: 8101.57, 0.00392462/step, 0.526553 hours remaining, 115.324219 MB of memory in use. ENERGY: 2017000 671.0158 1912.0418 1926.3529 119.9089 1.8766 -1111.1579 0.0000 0.0000 2751.8555 6271.8936 303.9501 3520.0381 6306.0819 303.5216 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: 8102.35, 0.00390455/step Wall: 8102.35, 0.00390455/step, 0.523643 hours remaining, 115.324219 MB of memory in use. ENERGY: 2017200 651.7878 1865.6590 1942.7370 114.2266 1.2575 -1064.9548 0.0000 0.0000 2737.0952 6247.8082 302.3198 3510.7130 6281.9220 303.3441 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: 8103.13, 0.00390861/step Wall: 8103.13, 0.00390861/step, 0.52397 hours remaining, 115.324219 MB of memory in use. ENERGY: 2017400 653.9805 1873.7359 1941.8774 117.6113 1.6930 -1062.2431 0.0000 0.0000 2713.4816 6240.1365 299.7116 3526.6549 6272.5069 300.7524 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: 8103.92, 0.0039107/step Wall: 8103.92, 0.0039107/step, 0.524034 hours remaining, 115.324219 MB of memory in use. ENERGY: 2017600 660.5612 1840.5288 1933.1831 112.7438 2.1731 -1059.0033 0.0000 0.0000 2752.6569 6242.8436 304.0386 3490.1867 6275.3589 301.8294 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: 8104.7, 0.00391202/step Wall: 8104.7, 0.00391202/step, 0.523994 hours remaining, 115.324219 MB of memory in use. ENERGY: 2017800 645.0672 1867.5470 1946.2314 119.1254 1.3760 -1093.9375 0.0000 0.0000 2777.7636 6263.1730 306.8117 3485.4094 6297.8306 303.6957 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: 8105.48, 0.00390987/step Wall: 8105.48, 0.00390987/step, 0.523488 hours remaining, 115.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2018000 647.8014 1888.8044 1983.4433 107.9105 3.0955 -1075.2019 0.0000 0.0000 2734.9684 6290.8216 302.0849 3555.8532 6324.5054 304.7655 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: 8106.26, 0.0039051/step Wall: 8106.26, 0.0039051/step, 0.522633 hours remaining, 115.324219 MB of memory in use. ENERGY: 2018200 623.9942 1863.6012 1951.2472 105.9884 1.7606 -1069.0847 0.0000 0.0000 2808.5582 6286.0651 310.2131 3477.5069 6323.4894 305.0777 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: 8107.04, 0.0039124/step Wall: 8107.04, 0.0039124/step, 0.523392 hours remaining, 115.324219 MB of memory in use. ENERGY: 2018400 663.7290 1824.6388 1944.1841 116.9587 2.0834 -1037.9280 0.0000 0.0000 2747.3371 6261.0031 303.4510 3513.6660 6294.2885 304.7074 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: 8107.83, 0.00391004/step Wall: 8107.83, 0.00391004/step, 0.52286 hours remaining, 115.324219 MB of memory in use. ENERGY: 2018600 692.9018 1829.0897 1936.6252 106.4367 0.9751 -1079.1241 0.0000 0.0000 2761.5547 6248.4592 305.0214 3486.9045 6281.9719 303.0101 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: 8108.61, 0.00391157/step Wall: 8108.61, 0.00391157/step, 0.522846 hours remaining, 115.324219 MB of memory in use. ENERGY: 2018800 678.7179 1817.0771 1987.4114 110.9490 1.5813 -1086.9922 0.0000 0.0000 2706.5862 6215.3306 298.9500 3508.7444 6249.2896 301.0264 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: 8109.39, 0.00390664/step Wall: 8109.39, 0.00390664/step, 0.52197 hours remaining, 115.324219 MB of memory in use. ENERGY: 2019000 678.0343 1894.5444 1974.7470 109.6353 3.1134 -1131.8944 0.0000 0.0000 2730.5754 6258.7554 301.5997 3528.1799 6291.6980 302.2539 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: 8110.17, 0.00391248/step Wall: 8110.17, 0.00391248/step, 0.522534 hours remaining, 115.324219 MB of memory in use. ENERGY: 2019200 704.8549 1807.5541 1964.9348 100.0525 3.1464 -1065.4806 0.0000 0.0000 2705.6030 6220.6651 298.8414 3515.0621 6253.6822 302.3435 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: 8110.96, 0.00391478/step Wall: 8110.96, 0.00391478/step, 0.522623 hours remaining, 115.324219 MB of memory in use. ENERGY: 2019400 633.8937 1871.9611 1975.8078 129.5430 1.6002 -1122.8399 0.0000 0.0000 2753.1529 6243.1187 304.0934 3489.9658 6277.1804 301.2984 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: 8111.74, 0.00391262/step Wall: 8111.74, 0.00391262/step, 0.522117 hours remaining, 115.324219 MB of memory in use. ENERGY: 2019600 685.4161 1863.2236 2003.6638 119.0733 1.8902 -1117.1324 0.0000 0.0000 2753.1552 6309.2898 304.0937 3556.1346 6342.3240 304.5945 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: 8112.52, 0.00391086/step Wall: 8112.52, 0.00391086/step, 0.521665 hours remaining, 115.324219 MB of memory in use. ENERGY: 2019800 700.1212 1844.3024 1940.0951 118.0300 2.5780 -1107.3235 0.0000 0.0000 2782.3551 6280.1584 307.3189 3497.8032 6314.5944 302.9153 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: 8113.3, 0.00390562/step Wall: 8113.3, 0.00390561/step, 0.520748 hours remaining, 115.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2020000 682.0109 1819.1924 1994.2385 109.7503 3.1078 -1071.1170 0.0000 0.0000 2719.6268 6256.8098 300.3904 3537.1829 6291.3261 302.2455 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2020000 WRITING COORDINATES TO DCD FILE MD.1.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: 8115.75, 0.0122259/step Wall: 8115.75, 0.0122259/step, 1.62944 hours remaining, 115.324219 MB of memory in use. ENERGY: 2020200 658.5294 1838.1577 1946.7462 108.7959 1.6976 -1055.5063 0.0000 0.0000 2749.9218 6248.3423 303.7365 3498.4205 6282.9119 301.8282 LDB: ============= START OF LOAD BALANCING ============== 8118.45 LDB: ============== END OF LOAD BALANCING =============== 8118.45 LDB: =============== DONE WITH MIGRATION ================ 8118.45 LDB: ============= START OF LOAD BALANCING ============== 8118.84 LDB: ============== END OF LOAD BALANCING =============== 8118.84 LDB: =============== DONE WITH MIGRATION ================ 8118.84 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: 8116.53, 0.00391598/step Wall: 8116.53, 0.00391598/step, 0.521696 hours remaining, 115.324219 MB of memory in use. ENERGY: 2020400 657.9496 1840.0254 1944.7456 108.2981 1.7036 -1090.4876 0.0000 0.0000 2774.8737 6237.1084 306.4925 3462.2347 6270.4151 302.8620 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: 8117.31, 0.0039056/step Wall: 8117.31, 0.0039056/step, 0.520096 hours remaining, 115.324219 MB of memory in use. ENERGY: 2020600 652.5468 1884.0757 1967.8404 118.6455 2.8531 -1047.2026 0.0000 0.0000 2715.1409 6293.8998 299.8949 3578.7589 6328.0949 303.8662 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: 8118.1, 0.00392545/step Wall: 8118.1, 0.00392545/step, 0.522521 hours remaining, 115.324219 MB of memory in use. ENERGY: 2020800 667.5651 1850.0851 1992.0380 108.3976 1.1690 -1103.8343 0.0000 0.0000 2720.0444 6235.4649 300.4365 3515.4205 6268.3903 302.7018 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: 8118.88, 0.00391434/step Wall: 8118.88, 0.00391434/step, 0.520825 hours remaining, 115.324219 MB of memory in use. ENERGY: 2021000 645.4812 1892.6018 1941.9388 105.1242 2.6049 -1102.2884 0.0000 0.0000 2737.1393 6222.6018 302.3247 3485.4625 6255.4343 300.8540 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: 8119.66, 0.00391294/step Wall: 8119.66, 0.00391294/step, 0.520422 hours remaining, 115.324219 MB of memory in use. ENERGY: 2021200 666.5891 1847.6002 1996.8762 109.8346 3.5509 -1093.0686 0.0000 0.0000 2737.1861 6268.5685 302.3298 3531.3824 6300.8358 303.6598 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: 8120.44, 0.00390694/step Wall: 8120.44, 0.00390694/step, 0.519407 hours remaining, 115.324219 MB of memory in use. ENERGY: 2021400 661.4226 1848.5608 1950.2048 97.3799 2.2928 -1066.8962 0.0000 0.0000 2772.2285 6265.1932 306.2004 3492.9647 6297.5311 303.0672 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: 8121.23, 0.00391188/step Wall: 8121.23, 0.00391188/step, 0.519845 hours remaining, 115.324219 MB of memory in use. ENERGY: 2021600 631.4188 1848.8163 1949.3014 114.5792 2.3181 -1089.3441 0.0000 0.0000 2755.1522 6212.2419 304.3142 3457.0897 6248.2727 301.9135 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: 8122.01, 0.00391254/step Wall: 8122.01, 0.00391254/step, 0.519716 hours remaining, 115.324219 MB of memory in use. ENERGY: 2021800 640.4989 1839.0165 1983.3377 121.9389 2.2681 -1058.3070 0.0000 0.0000 2702.1454 6230.8985 298.4595 3528.7532 6260.5153 301.6884 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: 8122.79, 0.00391294/step Wall: 8122.79, 0.00391294/step, 0.519552 hours remaining, 115.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2022000 631.5531 1817.1016 1975.0627 103.2054 3.0935 -1071.8857 0.0000 0.0000 2727.1169 6185.2475 301.2177 3458.1306 6219.7946 300.4469 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: 8123.57, 0.00391326/step Wall: 8123.57, 0.00391326/step, 0.519376 hours remaining, 115.324219 MB of memory in use. ENERGY: 2022200 642.5614 1868.8218 1947.1883 105.1298 2.6813 -1098.6179 0.0000 0.0000 2697.2619 6165.0267 297.9201 3467.7648 6197.6986 297.7725 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: 8124.35, 0.00390814/step Wall: 8124.35, 0.00390814/step, 0.51848 hours remaining, 115.324219 MB of memory in use. ENERGY: 2022400 657.0195 1809.7125 1966.0389 100.7356 1.3581 -1077.1188 0.0000 0.0000 2688.0862 6145.8320 296.9066 3457.7457 6181.3652 296.7703 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: 8125.14, 0.00391266/step Wall: 8125.14, 0.00391266/step, 0.518862 hours remaining, 115.324219 MB of memory in use. ENERGY: 2022600 628.7166 1829.5145 1979.5714 104.9523 1.9202 -1087.7879 0.0000 0.0000 2666.9799 6123.8670 294.5754 3456.8871 6157.3210 295.1551 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: 8125.92, 0.00391161/step Wall: 8125.92, 0.00391161/step, 0.518506 hours remaining, 115.324219 MB of memory in use. ENERGY: 2022800 637.6365 1813.7005 1965.2822 94.8152 2.5248 -1056.7709 0.0000 0.0000 2654.2339 6111.4223 293.1675 3457.1883 6146.8659 294.1162 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: 8126.7, 0.00391255/step Wall: 8126.7, 0.00391255/step, 0.518412 hours remaining, 115.324219 MB of memory in use. ENERGY: 2023000 625.3023 1810.5607 1949.5570 105.4634 2.0578 -1106.4568 0.0000 0.0000 2649.2602 6035.7446 292.6182 3386.4844 6069.5255 292.5149 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: 8127.48, 0.00390932/step Wall: 8127.48, 0.00390932/step, 0.517768 hours remaining, 115.324219 MB of memory in use. ENERGY: 2023200 652.0209 1797.3990 1961.2781 117.0182 3.1993 -1113.4576 0.0000 0.0000 2622.9757 6040.4336 289.7150 3417.4579 6072.8999 291.9621 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: 8128.86, 0.0068582/step Wall: 8128.86, 0.0068582/step, 0.907949 hours remaining, 115.324219 MB of memory in use. ENERGY: 2023400 673.1625 1832.9740 1926.8422 113.8488 1.9440 -1118.8307 0.0000 0.0000 2718.7383 6148.6791 300.2922 3429.9408 6182.8012 294.0326 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: 8129.64, 0.00393683/step Wall: 8129.64, 0.00393683/step, 0.520973 hours remaining, 115.324219 MB of memory in use. ENERGY: 2023600 661.5828 1854.9218 1949.6307 104.3624 1.7835 -1085.3614 0.0000 0.0000 2701.6057 6188.5255 298.3999 3486.9198 6222.3928 298.7369 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: 8130.43, 0.00391057/step Wall: 8130.43, 0.00391057/step, 0.517282 hours remaining, 115.324219 MB of memory in use. ENERGY: 2023800 646.5991 1845.2663 1947.3109 108.7648 3.4522 -1061.6504 0.0000 0.0000 2653.1088 6142.8517 293.0433 3489.7430 6177.0296 297.6499 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: 8131.21, 0.00391581/step Wall: 8131.21, 0.00391581/step, 0.517757 hours remaining, 115.324219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2024000 644.1023 1849.2267 1935.0754 106.2544 1.8068 -1091.4020 0.0000 0.0000 2741.0444 6186.1080 302.7560 3445.0636 6220.8110 297.2564 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: 8131.99, 0.00391576/step Wall: 8131.99, 0.00391576/step, 0.517532 hours remaining, 115.324219 MB of memory in use. ENERGY: 2024200 647.2079 1876.1776 1943.4344 124.8204 3.7699 -1124.4594 0.0000 0.0000 2722.3776 6193.3284 300.6942 3470.9509 6224.9774 298.7066 LDB: ============= START OF LOAD BALANCING ============== 8134.69 LDB: ============== END OF LOAD BALANCING =============== 8134.69 LDB: =============== DONE WITH MIGRATION ================ 8134.69 LDB: ============= START OF LOAD BALANCING ============== 8135.08 LDB: ============== END OF LOAD BALANCING =============== 8135.08 LDB: =============== DONE WITH MIGRATION ================ 8135.08 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: 8132.78, 0.00392213/step Wall: 8132.78, 0.00392213/step, 0.518157 hours remaining, 115.324219 MB of memory in use. ENERGY: 2024400 671.0984 1870.4084 1951.6769 109.8033 3.1538 -1091.7376 0.0000 0.0000 2694.4848 6208.8879 297.6134 3514.4031 6242.2955 300.9727 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: 8133.56, 0.00391493/step Wall: 8133.56, 0.00391493/step, 0.516989 hours remaining, 115.328125 MB of memory in use. ENERGY: 2024600 637.3562 1795.4154 1952.3341 102.5429 2.4385 -1061.1746 0.0000 0.0000 2690.2082 6119.1208 297.1410 3428.9126 6152.2276 297.3244 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: 8134.34, 0.0039101/step Wall: 8134.34, 0.0039101/step, 0.516133 hours remaining, 115.328125 MB of memory in use. ENERGY: 2024800 657.8207 1843.1476 1938.9132 92.2718 2.1640 -1102.7440 0.0000 0.0000 2707.4962 6139.0695 299.0505 3431.5733 6172.9937 296.9271 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: 8135.12, 0.00391432/step Wall: 8135.12, 0.00391432/step, 0.516473 hours remaining, 115.328125 MB of memory in use. ENERGY: 2025000 625.8975 1847.8326 1939.7219 105.8174 1.2841 -1084.5191 0.0000 0.0000 2760.7354 6196.7698 304.9309 3436.0344 6231.2528 296.8547 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: 8135.91, 0.00391483/step Wall: 8135.91, 0.00391484/step, 0.516323 hours remaining, 115.328125 MB of memory in use. ENERGY: 2025200 644.7550 1778.1433 1951.4426 111.1079 2.4453 -1089.5990 0.0000 0.0000 2789.5404 6187.8355 308.1125 3398.2951 6223.2666 298.9097 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: 8136.69, 0.00391586/step Wall: 8136.69, 0.00391586/step, 0.516241 hours remaining, 115.328125 MB of memory in use. ENERGY: 2025400 653.0084 1858.4345 1930.7028 114.1601 1.9204 -1067.4340 0.0000 0.0000 2775.2613 6266.0536 306.5353 3490.7923 6299.0644 301.8947 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: 8137.47, 0.0039101/step Wall: 8137.47, 0.00391009/step, 0.515263 hours remaining, 115.328125 MB of memory in use. ENERGY: 2025600 636.8484 1859.8905 1938.1261 107.2309 2.8967 -1069.6636 0.0000 0.0000 2760.9060 6236.2351 304.9498 3475.3291 6270.8527 302.3986 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: 8138.26, 0.00391746/step Wall: 8138.26, 0.00391747/step, 0.516017 hours remaining, 115.328125 MB of memory in use. ENERGY: 2025800 673.8562 1876.4519 1960.8622 100.4846 2.1205 -1101.3943 0.0000 0.0000 2729.9867 6242.3679 301.5346 3512.3812 6275.2439 302.6845 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: 8139.04, 0.00391584/step Wall: 8139.04, 0.00391584/step, 0.515585 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2026000 672.5046 1865.9028 1949.5280 110.2052 3.3751 -1087.0503 0.0000 0.0000 2712.8277 6227.2931 299.6394 3514.4655 6258.2424 302.1054 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: 8139.82, 0.00391548/step Wall: 8139.82, 0.00391548/step, 0.515321 hours remaining, 115.328125 MB of memory in use. ENERGY: 2026200 654.3983 1803.7619 1966.8530 115.8648 2.7547 -1094.4312 0.0000 0.0000 2767.2504 6216.4519 305.6505 3449.2015 6249.8398 301.9320 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: 8140.6, 0.00391579/step Wall: 8140.6, 0.00391579/step, 0.515143 hours remaining, 115.328125 MB of memory in use. ENERGY: 2026400 662.2318 1833.6414 1965.1978 97.3550 1.1477 -1079.6996 0.0000 0.0000 2743.2665 6223.1405 303.0014 3479.8740 6254.9183 300.7599 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: 8141.39, 0.00390891/step Wall: 8141.39, 0.00390891/step, 0.514022 hours remaining, 115.328125 MB of memory in use. ENERGY: 2026600 659.6267 1822.7421 1953.6931 94.4354 1.9738 -1084.2682 0.0000 0.0000 2751.9283 6200.1312 303.9582 3448.2029 6234.2054 302.1309 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: 8142.17, 0.00391358/step Wall: 8142.17, 0.00391358/step, 0.514418 hours remaining, 115.328125 MB of memory in use. ENERGY: 2026800 667.2591 1885.1824 1948.3429 107.3927 1.0958 -1091.2201 0.0000 0.0000 2769.4324 6287.4852 305.8915 3518.0528 6321.6269 301.2610 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: 8142.95, 0.00391512/step Wall: 8142.95, 0.00391512/step, 0.514403 hours remaining, 115.328125 MB of memory in use. ENERGY: 2027000 642.9154 1824.2117 1987.8938 110.5050 1.3048 -1067.6513 0.0000 0.0000 2725.6970 6224.8763 301.0608 3499.1793 6257.0085 302.7123 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: 8143.74, 0.00391479/step Wall: 8143.74, 0.00391479/step, 0.514143 hours remaining, 115.328125 MB of memory in use. ENERGY: 2027200 684.5610 1849.4396 1973.9322 116.7167 0.5436 -1106.6009 0.0000 0.0000 2726.7454 6245.3376 301.1766 3518.5921 6276.8132 301.4103 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: 8144.52, 0.00390937/step Wall: 8144.52, 0.00390937/step, 0.513214 hours remaining, 115.328125 MB of memory in use. ENERGY: 2027400 692.9302 1840.3280 1942.8274 102.6694 1.8881 -1059.5667 0.0000 0.0000 2693.5038 6214.5802 297.5050 3521.0764 6247.5258 301.2561 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: 8145.3, 0.00391412/step Wall: 8145.3, 0.00391412/step, 0.51362 hours remaining, 115.328125 MB of memory in use. ENERGY: 2027600 649.4365 1886.2028 1948.6362 99.1520 1.9542 -1092.3318 0.0000 0.0000 2761.9037 6254.9536 305.0600 3493.0499 6289.0272 301.5479 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: 8146.08, 0.00391517/step Wall: 8146.08, 0.00391517/step, 0.513539 hours remaining, 115.328125 MB of memory in use. ENERGY: 2027800 666.8174 1849.7534 1957.0314 119.7077 1.2142 -1082.3038 0.0000 0.0000 2748.5536 6260.7739 303.5854 3512.2203 6295.6839 303.1779 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: 8146.87, 0.00391593/step Wall: 8146.87, 0.00391593/step, 0.513421 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2028000 674.7589 1881.8874 1962.8782 110.2229 1.8031 -1119.8500 0.0000 0.0000 2741.4186 6253.1190 302.7973 3511.7005 6284.1106 304.5188 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: 8147.65, 0.00391603/step Wall: 8147.65, 0.00391603/step, 0.513217 hours remaining, 115.328125 MB of memory in use. ENERGY: 2028200 679.3955 1879.8770 1963.1856 114.4557 1.4746 -1088.1238 0.0000 0.0000 2728.2254 6278.4900 301.3401 3550.2647 6311.9351 303.2909 LDB: ============= START OF LOAD BALANCING ============== 8150.35 LDB: ============== END OF LOAD BALANCING =============== 8150.35 LDB: =============== DONE WITH MIGRATION ================ 8150.35 LDB: ============= START OF LOAD BALANCING ============== 8150.74 LDB: ============== END OF LOAD BALANCING =============== 8150.74 LDB: =============== DONE WITH MIGRATION ================ 8150.74 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: 8148.43, 0.00391682/step Wall: 8148.43, 0.00391682/step, 0.513103 hours remaining, 115.328125 MB of memory in use. ENERGY: 2028400 670.5362 1854.1489 1951.7219 115.4992 2.8060 -1098.5472 0.0000 0.0000 2747.0819 6243.2469 303.4229 3496.1650 6275.9367 302.8777 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: 8149.22, 0.00391501/step Wall: 8149.22, 0.00391501/step, 0.512648 hours remaining, 115.328125 MB of memory in use. ENERGY: 2028600 684.8895 1884.6185 1936.0147 113.7821 0.7634 -1087.3057 0.0000 0.0000 2702.9986 6235.7611 298.5537 3532.7625 6265.9443 302.9398 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: 8150, 0.00391514/step Wall: 8150, 0.00391514/step, 0.512448 hours remaining, 115.328125 MB of memory in use. ENERGY: 2028800 657.1380 1850.8147 1949.1222 108.7905 0.6546 -1055.4044 0.0000 0.0000 2677.3409 6188.4565 295.7198 3511.1156 6223.3291 299.0896 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: 8150.78, 0.0039149/step Wall: 8150.78, 0.0039149/step, 0.512199 hours remaining, 115.328125 MB of memory in use. ENERGY: 2029000 665.1716 1877.4591 1967.5186 117.6096 2.0003 -1099.3163 0.0000 0.0000 2651.5810 6182.0239 292.8745 3530.4429 6214.7239 299.3962 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: 8151.56, 0.00391564/step Wall: 8151.56, 0.00391564/step, 0.512079 hours remaining, 115.328125 MB of memory in use. ENERGY: 2029200 665.1671 1868.2079 1936.0291 102.0908 2.0370 -1087.0904 0.0000 0.0000 2715.7352 6202.1766 299.9605 3486.4414 6234.6451 297.9908 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: 8152.35, 0.00391171/step Wall: 8152.35, 0.00391171/step, 0.511347 hours remaining, 115.328125 MB of memory in use. ENERGY: 2029400 658.6099 1877.3258 1937.0325 114.3803 1.8276 -1090.2539 0.0000 0.0000 2675.0578 6173.9800 295.4676 3498.9223 6201.9699 300.7825 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: 8153.13, 0.00391539/step Wall: 8153.13, 0.00391539/step, 0.511611 hours remaining, 115.328125 MB of memory in use. ENERGY: 2029600 631.1989 1853.3814 1928.7207 103.6779 1.2928 -1067.5240 0.0000 0.0000 2709.0117 6159.7594 299.2179 3450.7477 6195.0977 298.8007 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: 8153.91, 0.00391759/step Wall: 8153.91, 0.00391759/step, 0.511681 hours remaining, 115.328125 MB of memory in use. ENERGY: 2029800 643.4317 1861.1137 1953.4909 107.3049 0.6828 -1085.1132 0.0000 0.0000 2676.1696 6157.0803 295.5904 3480.9107 6191.1293 297.6986 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: 8154.7, 0.00391704/step Wall: 8154.7, 0.00391704/step, 0.511392 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2030000 642.8981 1881.7501 1969.7087 116.4664 1.7450 -1076.2578 0.0000 0.0000 2676.3968 6212.7073 295.6155 3536.3104 6242.0393 298.8780 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2030000 WRITING COORDINATES TO DCD FILE MD.1.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: 8155.97, 0.00638189/step Wall: 8155.97, 0.00638189/step, 0.832836 hours remaining, 115.328125 MB of memory in use. ENERGY: 2030200 668.8203 1867.9544 1959.4381 107.3486 1.5521 -1104.4319 0.0000 0.0000 2750.8981 6251.5796 303.8444 3500.6815 6288.2038 302.0255 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: 8156.76, 0.00391461/step Wall: 8156.76, 0.00391461/step, 0.51064 hours remaining, 115.328125 MB of memory in use. ENERGY: 2030400 643.9610 1841.1674 1975.2410 104.9784 1.1522 -1081.3710 0.0000 0.0000 2748.2374 6233.3664 303.5505 3485.1290 6269.1227 302.3593 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: 8157.54, 0.00390942/step Wall: 8157.54, 0.00390942/step, 0.509745 hours remaining, 115.328125 MB of memory in use. ENERGY: 2030600 646.8997 1866.2306 1968.7764 105.8077 0.6000 -1035.7925 0.0000 0.0000 2720.0818 6272.6038 300.4406 3552.5220 6306.8052 302.7178 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: 8158.32, 0.00391778/step Wall: 8158.32, 0.00391778/step, 0.510618 hours remaining, 115.328125 MB of memory in use. ENERGY: 2030800 662.6281 1923.1726 1968.1497 113.4046 0.9745 -1100.9336 0.0000 0.0000 2699.4984 6266.8943 298.1671 3567.3959 6293.9971 303.2665 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: 8159.1, 0.00391302/step Wall: 8159.1, 0.00391302/step, 0.50978 hours remaining, 115.328125 MB of memory in use. ENERGY: 2031000 695.4314 1852.0374 1960.2424 112.8953 0.9791 -1070.6390 0.0000 0.0000 2717.6872 6268.6337 300.1761 3550.9465 6300.6495 302.0873 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: 8159.89, 0.00391406/step Wall: 8159.89, 0.00391406/step, 0.509697 hours remaining, 115.328125 MB of memory in use. ENERGY: 2031200 664.6429 1920.0655 1943.0139 106.5548 1.0621 -1085.0647 0.0000 0.0000 2672.7299 6223.0044 295.2105 3550.2745 6251.3237 302.7991 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: 8160.67, 0.00391266/step Wall: 8160.67, 0.00391266/step, 0.509297 hours remaining, 115.328125 MB of memory in use. ENERGY: 2031400 686.7762 1797.9061 1976.2358 107.6445 0.1740 -1082.6553 0.0000 0.0000 2691.8862 6177.9675 297.3263 3486.0813 6210.8002 299.5237 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: 8161.45, 0.00391069/step Wall: 8161.45, 0.00391069/step, 0.508824 hours remaining, 115.328125 MB of memory in use. ENERGY: 2031600 660.6095 1888.1707 1947.2952 106.0791 1.7199 -1105.1844 0.0000 0.0000 2657.2525 6155.9425 293.5009 3498.6900 6186.2674 297.6682 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: 8162.24, 0.00391768/step Wall: 8162.24, 0.00391768/step, 0.509516 hours remaining, 115.328125 MB of memory in use. ENERGY: 2031800 620.2357 1826.8879 1972.3906 112.7680 1.7327 -1091.2285 0.0000 0.0000 2764.1911 6206.9775 305.3126 3442.7864 6242.4303 298.5272 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: 8163.02, 0.00391312/step Wall: 8163.02, 0.00391312/step, 0.508706 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2032000 655.5396 1879.6989 1976.3082 109.0056 -0.0754 -1109.9468 0.0000 0.0000 2675.3182 6185.8484 295.4963 3510.5302 6219.7415 298.6206 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: 8163.8, 0.00391448/step Wall: 8163.8, 0.00391448/step, 0.508665 hours remaining, 115.328125 MB of memory in use. ENERGY: 2032200 654.1044 1889.6157 1978.2261 115.3227 0.2146 -1077.7232 0.0000 0.0000 2673.5799 6233.3402 295.3043 3559.7603 6264.6798 300.0861 LDB: ============= START OF LOAD BALANCING ============== 8166.5 LDB: ============== END OF LOAD BALANCING =============== 8166.5 LDB: =============== DONE WITH MIGRATION ================ 8166.5 LDB: ============= START OF LOAD BALANCING ============== 8166.89 LDB: ============== END OF LOAD BALANCING =============== 8166.89 LDB: =============== DONE WITH MIGRATION ================ 8166.89 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: 8164.58, 0.00391808/step Wall: 8164.58, 0.00391808/step, 0.508914 hours remaining, 115.328125 MB of memory in use. ENERGY: 2032400 632.5518 1873.3449 1947.2599 118.7767 1.2166 -1053.4542 0.0000 0.0000 2708.7076 6228.4033 299.1843 3519.6957 6261.4241 300.6879 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: 8165.37, 0.00391163/step Wall: 8165.37, 0.00391163/step, 0.507859 hours remaining, 115.328125 MB of memory in use. ENERGY: 2032600 651.8846 1856.7787 1952.4182 110.9599 0.7390 -1055.3999 0.0000 0.0000 2710.3340 6227.7145 299.3639 3517.3805 6263.1068 301.0058 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: 8166.15, 0.00391311/step Wall: 8166.15, 0.00391311/step, 0.507835 hours remaining, 115.328125 MB of memory in use. ENERGY: 2032800 637.5813 1865.3319 1953.2156 95.3302 0.5052 -1064.4108 0.0000 0.0000 2737.7282 6225.2816 302.3897 3487.5533 6258.3029 300.7796 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: 8166.93, 0.00391327/step Wall: 8166.93, 0.00391327/step, 0.507637 hours remaining, 115.328125 MB of memory in use. ENERGY: 2033000 657.7998 1856.3588 1969.7822 120.0116 0.1230 -1095.9120 0.0000 0.0000 2719.4084 6227.5718 300.3662 3508.1634 6264.9193 301.1234 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: 8167.71, 0.00391186/step Wall: 8167.71, 0.00391186/step, 0.507238 hours remaining, 115.328125 MB of memory in use. ENERGY: 2033200 663.9598 1875.8839 1936.3361 116.8386 0.6893 -1102.3270 0.0000 0.0000 2705.5361 6196.9168 298.8340 3491.3807 6230.1029 299.3822 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: 8168.5, 0.00391031/step Wall: 8168.5, 0.00391031/step, 0.506819 hours remaining, 115.328125 MB of memory in use. ENERGY: 2033400 704.9004 1848.8057 1980.7917 111.1399 -0.0390 -1141.0886 0.0000 0.0000 2713.2868 6217.7970 299.6901 3504.5102 6251.7837 299.5825 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: 8169.28, 0.00391148/step Wall: 8169.28, 0.00391148/step, 0.506755 hours remaining, 115.328125 MB of memory in use. ENERGY: 2033600 635.7008 1874.2255 1951.9609 110.1442 1.4720 -1094.1697 0.0000 0.0000 2704.8480 6184.1816 298.7580 3479.3336 6215.4664 301.2199 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: 8170.06, 0.00392524/step Wall: 8170.06, 0.00392524/step, 0.508319 hours remaining, 115.328125 MB of memory in use. ENERGY: 2033800 673.4010 1852.4272 1907.3587 116.1483 1.0529 -1085.3173 0.0000 0.0000 2702.8827 6167.9535 298.5409 3465.0707 6199.9726 298.7804 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: 8170.85, 0.00391576/step Wall: 8170.85, 0.00391575/step, 0.506873 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2034000 661.9345 1874.8013 1958.4578 106.9275 1.2908 -1091.9836 0.0000 0.0000 2690.7839 6202.2122 297.2046 3511.4283 6232.6642 299.1632 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: 8171.63, 0.00391429/step Wall: 8171.63, 0.0039143/step, 0.506467 hours remaining, 115.328125 MB of memory in use. ENERGY: 2034200 670.5955 1837.3395 1932.9975 108.6753 1.2301 -1084.8836 0.0000 0.0000 2731.6568 6197.6112 301.7191 3465.9543 6230.3182 300.8764 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: 8172.41, 0.00391121/step Wall: 8172.41, 0.00391121/step, 0.505849 hours remaining, 115.328125 MB of memory in use. ENERGY: 2034400 668.7605 1774.1420 1947.1213 105.8513 2.9648 -1109.1563 0.0000 0.0000 2738.5609 6128.2443 302.4817 3389.6834 6163.6450 299.0509 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: 8173.2, 0.0039135/step Wall: 8173.2, 0.0039135/step, 0.505929 hours remaining, 115.328125 MB of memory in use. ENERGY: 2034600 675.5730 1849.7085 1924.9239 109.9820 2.2623 -1095.2192 0.0000 0.0000 2672.7744 6140.0049 295.2154 3467.2305 6171.2543 296.2139 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: 8173.98, 0.00391456/step Wall: 8173.98, 0.00391456/step, 0.505849 hours remaining, 115.328125 MB of memory in use. ENERGY: 2034800 648.1185 1847.1740 1951.4399 101.1645 0.9148 -1121.8988 0.0000 0.0000 2716.4650 6143.3779 300.0411 3426.9129 6178.3791 296.1319 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: 8174.76, 0.00391305/step Wall: 8174.76, 0.00391305/step, 0.505436 hours remaining, 115.328125 MB of memory in use. ENERGY: 2035000 683.4571 1864.4018 1938.6666 111.0812 1.4955 -1114.5571 0.0000 0.0000 2677.8773 6162.4223 295.7790 3484.5450 6197.0824 298.2465 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: 8175.54, 0.00390952/step Wall: 8175.54, 0.00390952/step, 0.504762 hours remaining, 115.328125 MB of memory in use. ENERGY: 2035200 627.9767 1859.7789 1945.9221 100.4005 1.9549 -1083.0483 0.0000 0.0000 2680.4935 6133.4783 296.0680 3452.9848 6166.5153 297.6110 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: 8176.33, 0.00391435/step Wall: 8176.33, 0.00391435/step, 0.505169 hours remaining, 115.328125 MB of memory in use. ENERGY: 2035400 637.3887 1835.8588 1944.2789 104.7376 1.7392 -1088.5109 0.0000 0.0000 2742.9611 6178.4534 302.9677 3435.4923 6212.6242 296.6823 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: 8177.11, 0.00391338/step Wall: 8177.11, 0.00391338/step, 0.504827 hours remaining, 115.328125 MB of memory in use. ENERGY: 2035600 662.8217 1855.3847 1948.0110 99.2531 1.5422 -1074.1777 0.0000 0.0000 2718.0018 6210.8369 300.2109 3492.8351 6240.7481 298.5984 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: 8177.89, 0.00391365/step Wall: 8177.89, 0.00391365/step, 0.504643 hours remaining, 115.328125 MB of memory in use. ENERGY: 2035800 618.8353 1866.6342 1945.3702 108.6839 2.5379 -1045.5247 0.0000 0.0000 2707.2918 6203.8287 299.0279 3496.5369 6235.1677 299.8490 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: 8178.67, 0.00391516/step Wall: 8178.67, 0.00391516/step, 0.504621 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2036000 676.5149 1890.6658 1967.3171 100.4711 1.8037 -1098.5122 0.0000 0.0000 2645.2660 6183.5265 292.1770 3538.2605 6215.0046 297.2079 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: 8179.46, 0.00390931/step Wall: 8179.46, 0.00390931/step, 0.503649 hours remaining, 115.328125 MB of memory in use. ENERGY: 2036200 658.1124 1859.3392 1947.0627 110.0924 0.8903 -1071.8898 0.0000 0.0000 2742.3317 6245.9389 302.8982 3503.6073 6279.3022 300.0148 LDB: ============= START OF LOAD BALANCING ============== 8182.16 LDB: ============== END OF LOAD BALANCING =============== 8182.16 LDB: =============== DONE WITH MIGRATION ================ 8182.16 LDB: ============= START OF LOAD BALANCING ============== 8182.55 LDB: ============== END OF LOAD BALANCING =============== 8182.55 LDB: =============== DONE WITH MIGRATION ================ 8182.55 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: 8180.24, 0.00392022/step Wall: 8180.24, 0.00392022/step, 0.504837 hours remaining, 115.328125 MB of memory in use. ENERGY: 2036400 680.9995 1854.3971 1966.5132 113.5079 0.5388 -1092.1557 0.0000 0.0000 2732.5945 6256.3952 301.8227 3523.8007 6291.3177 300.3317 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: 8181.02, 0.00391442/step Wall: 8181.02, 0.00391442/step, 0.503873 hours remaining, 115.328125 MB of memory in use. ENERGY: 2036600 699.0506 1885.2774 1973.3016 110.2234 1.4725 -1089.0342 0.0000 0.0000 2733.1453 6313.4367 301.8835 3580.2914 6346.8985 303.3605 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: 8181.81, 0.00391401/step Wall: 8181.81, 0.00391401/step, 0.503603 hours remaining, 115.328125 MB of memory in use. ENERGY: 2036800 666.8943 1888.7399 1929.9338 115.7015 1.7507 -1038.8046 0.0000 0.0000 2740.4676 6304.6832 302.6923 3564.2157 6334.6250 304.4385 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: 8182.59, 0.00390948/step Wall: 8182.59, 0.00390948/step, 0.502802 hours remaining, 115.328125 MB of memory in use. ENERGY: 2037000 668.3594 1883.1746 1946.9255 114.2113 1.8202 -1087.4096 0.0000 0.0000 2771.3604 6298.4418 306.1045 3527.0813 6330.8094 303.6123 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: 8183.37, 0.0039136/step Wall: 8183.37, 0.0039136/step, 0.503114 hours remaining, 115.328125 MB of memory in use. ENERGY: 2037200 676.2398 1924.8968 1938.9114 109.4141 1.8461 -1107.5940 0.0000 0.0000 2731.2784 6274.9925 301.6773 3543.7141 6308.8506 304.5599 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: 8184.15, 0.00391289/step Wall: 8184.15, 0.00391289/step, 0.502806 hours remaining, 115.328125 MB of memory in use. ENERGY: 2037400 666.2187 1899.9846 1975.7176 106.9483 1.3181 -1094.4222 0.0000 0.0000 2746.9807 6302.7457 303.4117 3555.7651 6335.4974 304.9583 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: 8184.94, 0.00391603/step Wall: 8184.94, 0.00391603/step, 0.502993 hours remaining, 115.328125 MB of memory in use. ENERGY: 2037600 653.4093 1937.9213 1923.4760 117.2868 0.8662 -1085.9041 0.0000 0.0000 2723.5881 6270.6435 300.8279 3547.0555 6303.8919 304.6673 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: 8185.72, 0.00392678/step Wall: 8185.72, 0.00392678/step, 0.504155 hours remaining, 115.328125 MB of memory in use. ENERGY: 2037800 647.7425 1868.0567 1966.5983 106.4276 0.5825 -1071.2163 0.0000 0.0000 2715.2173 6233.4086 299.9033 3518.1912 6267.9777 301.8521 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: 8186.5, 0.0039115/step Wall: 8186.5, 0.0039115/step, 0.501975 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2038000 685.9916 1874.6617 1950.1203 106.6103 0.8910 -1101.4270 0.0000 0.0000 2751.6489 6268.4967 303.9273 3516.8478 6304.8721 303.2542 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: 8187.29, 0.00391281/step Wall: 8187.29, 0.00391281/step, 0.501927 hours remaining, 115.328125 MB of memory in use. ENERGY: 2038200 599.4624 1846.9970 1940.1989 108.2539 1.7359 -1038.9274 0.0000 0.0000 2739.5104 6197.2311 302.5866 3457.7207 6232.0289 302.1028 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: 8188.07, 0.00391506/step Wall: 8188.07, 0.00391506/step, 0.501998 hours remaining, 115.328125 MB of memory in use. ENERGY: 2038400 639.3517 1863.0972 1931.5770 95.1380 1.7042 -1057.4417 0.0000 0.0000 2763.8148 6237.2411 305.2710 3473.4263 6273.4817 300.4760 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: 8188.85, 0.00391621/step Wall: 8188.85, 0.00391621/step, 0.501928 hours remaining, 115.328125 MB of memory in use. ENERGY: 2038600 666.0100 1852.9863 1959.8942 104.5011 2.3547 -1068.1104 0.0000 0.0000 2749.2494 6266.8854 303.6623 3517.6360 6302.2835 301.1465 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: 8189.64, 0.0039145/step Wall: 8189.64, 0.0039145/step, 0.501491 hours remaining, 115.328125 MB of memory in use. ENERGY: 2038800 681.7899 1846.5500 1938.6251 106.6264 0.0808 -1069.8157 0.0000 0.0000 2730.3491 6234.2057 301.5747 3503.8566 6267.8805 301.6298 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: 8190.42, 0.00391083/step Wall: 8190.42, 0.00391083/step, 0.500803 hours remaining, 115.328125 MB of memory in use. ENERGY: 2039000 656.6871 1894.2625 1951.7586 106.1720 1.8804 -1097.3396 0.0000 0.0000 2690.0449 6203.4659 297.1229 3513.4211 6233.0612 300.4897 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: 8191.2, 0.0039126/step Wall: 8191.2, 0.0039126/step, 0.500813 hours remaining, 115.328125 MB of memory in use. ENERGY: 2039200 648.8933 1865.4890 1978.0437 109.8778 2.7510 -1068.5677 0.0000 0.0000 2746.2247 6282.7118 303.3282 3536.4871 6316.9368 303.0233 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: 8191.98, 0.00391415/step Wall: 8191.98, 0.00391415/step, 0.500794 hours remaining, 115.328125 MB of memory in use. ENERGY: 2039400 666.2342 1854.1033 1986.9556 117.4711 2.2878 -1097.1597 0.0000 0.0000 2752.4377 6282.3300 304.0144 3529.8922 6316.0736 302.7598 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: 8192.77, 0.00391523/step Wall: 8192.77, 0.00391523/step, 0.500714 hours remaining, 115.328125 MB of memory in use. ENERGY: 2039600 649.2023 1855.2600 1918.2452 103.3244 1.1446 -1076.9049 0.0000 0.0000 2773.4138 6223.6853 306.3313 3450.2716 6258.0171 301.5341 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: 8193.55, 0.00390852/step Wall: 8193.55, 0.00390852/step, 0.499639 hours remaining, 115.328125 MB of memory in use. ENERGY: 2039800 653.7655 1848.3478 1958.9191 105.9141 0.9246 -1082.2724 0.0000 0.0000 2679.6209 6165.2196 295.9716 3485.5987 6197.3641 299.0532 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: 8194.33, 0.00391438/step Wall: 8194.33, 0.00391438/step, 0.500171 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2040000 633.4274 1800.4306 1978.6225 111.5996 1.0985 -1073.3324 0.0000 0.0000 2660.0968 6111.9431 293.8151 3451.8463 6144.2124 297.1871 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2040000 WRITING COORDINATES TO DCD FILE MD.1.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: 8195.22, 0.00447115/step Wall: 8195.22, 0.00447115/step, 0.571065 hours remaining, 115.328125 MB of memory in use. ENERGY: 2040200 697.3281 1816.3169 1989.8556 102.2252 1.6152 -1136.4851 0.0000 0.0000 2670.9442 6141.8001 295.0132 3470.8559 6176.1262 295.5414 LDB: ============= START OF LOAD BALANCING ============== 8197.92 LDB: ============== END OF LOAD BALANCING =============== 8197.92 LDB: =============== DONE WITH MIGRATION ================ 8197.92 LDB: ============= START OF LOAD BALANCING ============== 8198.32 LDB: ============== END OF LOAD BALANCING =============== 8198.32 LDB: =============== DONE WITH MIGRATION ================ 8198.32 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: 8196.01, 0.00392166/step Wall: 8196.01, 0.00392166/step, 0.500666 hours remaining, 115.328125 MB of memory in use. ENERGY: 2040400 677.2842 1866.8597 1969.7982 107.9507 1.7265 -1075.9420 0.0000 0.0000 2625.6428 6173.3201 290.0096 3547.6773 6203.4032 295.6983 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: 8196.79, 0.0039184/step Wall: 8196.79, 0.0039184/step, 0.500031 hours remaining, 115.328125 MB of memory in use. ENERGY: 2040600 676.8595 1786.7737 1939.3154 123.1450 -0.4078 -1062.4806 0.0000 0.0000 2724.2516 6187.4570 300.9012 3463.2053 6220.0374 298.7030 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: 8197.57, 0.00391084/step Wall: 8197.57, 0.00391084/step, 0.498849 hours remaining, 115.328125 MB of memory in use. ENERGY: 2040800 644.8868 1818.2720 1944.4451 100.7554 1.3885 -1067.0983 0.0000 0.0000 2767.6916 6210.3411 305.6992 3442.6495 6242.7521 300.4787 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: 8198.36, 0.00392083/step Wall: 8198.36, 0.00392083/step, 0.499905 hours remaining, 115.328125 MB of memory in use. ENERGY: 2041000 738.7625 1799.1520 1932.9696 105.0211 -0.2552 -1101.1828 0.0000 0.0000 2772.5077 6246.9748 306.2312 3474.4671 6278.8108 299.9812 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: 8199.14, 0.00391151/step Wall: 8199.14, 0.00391151/step, 0.4985 hours remaining, 115.328125 MB of memory in use. ENERGY: 2041200 652.1163 1887.4254 1957.8453 107.9661 0.4998 -1074.3129 0.0000 0.0000 2686.0801 6217.6202 296.6850 3531.5401 6247.5274 300.0003 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: 8199.92, 0.00391165/step Wall: 8199.92, 0.00391165/step, 0.498301 hours remaining, 115.328125 MB of memory in use. ENERGY: 2041400 660.1070 1878.5268 1954.1081 116.9713 0.3944 -1058.3816 0.0000 0.0000 2686.4631 6238.1890 296.7273 3551.7260 6269.3597 300.8915 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: 8200.71, 0.00391172/step Wall: 8200.71, 0.00391172/step, 0.498092 hours remaining, 115.328125 MB of memory in use. ENERGY: 2041600 651.5405 1821.3776 1923.3485 111.4352 -0.0454 -1049.2843 0.0000 0.0000 2743.7029 6202.0749 303.0496 3458.3720 6232.2248 301.4873 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: 8201.49, 0.00390991/step Wall: 8201.49, 0.00390991/step, 0.497645 hours remaining, 115.328125 MB of memory in use. ENERGY: 2041800 638.9924 1856.8298 1972.9558 107.2285 0.6791 -1091.9726 0.0000 0.0000 2670.3895 6155.1024 294.9520 3484.7129 6185.9528 299.5000 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: 8202.27, 0.0039125/step Wall: 8202.27, 0.0039125/step, 0.497758 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2042000 615.6597 1810.0644 1924.0921 102.6253 1.2068 -1053.2773 0.0000 0.0000 2749.8726 6150.2436 303.7311 3400.3710 6183.6423 297.6243 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: 8203.05, 0.00391307/step Wall: 8203.05, 0.00391307/step, 0.497611 hours remaining, 115.328125 MB of memory in use. ENERGY: 2042200 591.3307 1841.0870 1956.6756 110.4600 0.1847 -1088.4421 0.0000 0.0000 2721.5391 6132.8349 300.6016 3411.2958 6166.2582 297.6222 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: 8203.84, 0.00391285/step Wall: 8203.84, 0.00391285/step, 0.497367 hours remaining, 115.328125 MB of memory in use. ENERGY: 2042400 608.8507 1807.7892 1963.9173 97.9502 1.4645 -1070.5335 0.0000 0.0000 2701.7063 6111.1447 298.4110 3409.4384 6143.1263 296.6371 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: 8204.62, 0.00390978/step Wall: 8204.62, 0.00390978/step, 0.496759 hours remaining, 115.328125 MB of memory in use. ENERGY: 2042600 637.2415 1836.7845 1917.5317 105.3906 0.8173 -1087.2804 0.0000 0.0000 2673.5801 6084.0653 295.3044 3410.4852 6119.2876 294.2605 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: 8205.4, 0.00391268/step Wall: 8205.4, 0.00391268/step, 0.49691 hours remaining, 115.328125 MB of memory in use. ENERGY: 2042800 610.7891 1814.3233 1960.3077 108.7191 0.0141 -1124.2632 0.0000 0.0000 2694.2697 6064.1598 297.5896 3369.8901 6099.3531 293.6684 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: 8206.18, 0.00391244/step Wall: 8206.18, 0.00391244/step, 0.496663 hours remaining, 115.328125 MB of memory in use. ENERGY: 2043000 655.4847 1775.9042 1948.1506 113.5697 0.1911 -1086.2043 0.0000 0.0000 2689.1062 6096.2024 297.0193 3407.0962 6131.1824 293.6775 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: 8206.97, 0.00391347/step Wall: 8206.97, 0.00391347/step, 0.496576 hours remaining, 115.328125 MB of memory in use. ENERGY: 2043200 655.3827 1809.9988 1943.2686 110.0253 1.7860 -1060.5146 0.0000 0.0000 2661.3344 6121.2812 293.9518 3459.9468 6152.7864 293.5433 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: 8207.75, 0.00391277/step Wall: 8207.75, 0.00391277/step, 0.496269 hours remaining, 115.328125 MB of memory in use. ENERGY: 2043400 677.7279 1814.4990 1940.3136 121.1209 1.9519 -1084.2138 0.0000 0.0000 2714.0935 6185.4930 299.7792 3471.3994 6217.2156 298.7933 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: 8208.53, 0.00391076/step Wall: 8208.53, 0.00391076/step, 0.495798 hours remaining, 115.328125 MB of memory in use. ENERGY: 2043600 639.8420 1869.4052 1949.4594 109.5651 0.7001 -1072.6748 0.0000 0.0000 2736.7943 6233.0914 302.2866 3496.2970 6265.1271 300.4697 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: 8209.31, 0.00391146/step Wall: 8209.31, 0.00391146/step, 0.495669 hours remaining, 115.328125 MB of memory in use. ENERGY: 2043800 651.3990 1846.0392 1973.3783 101.3502 0.4168 -1087.8746 0.0000 0.0000 2752.2115 6236.9204 303.9894 3484.7090 6273.2891 302.6669 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: 8210.09, 0.00391096/step Wall: 8210.09, 0.00391096/step, 0.495388 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2044000 672.8619 1812.6395 1976.7462 120.1842 0.7461 -1080.8075 0.0000 0.0000 2729.4755 6231.8459 301.4782 3502.3704 6264.8351 301.1147 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: 8210.88, 0.00391292/step Wall: 8210.88, 0.00391292/step, 0.495419 hours remaining, 115.328125 MB of memory in use. ENERGY: 2044200 632.6046 1870.0172 1936.9691 106.2333 1.3387 -1079.8942 0.0000 0.0000 2766.5440 6233.8127 305.5725 3467.2687 6268.4689 302.5281 LDB: ============= START OF LOAD BALANCING ============== 8213.58 LDB: ============== END OF LOAD BALANCING =============== 8213.58 LDB: =============== DONE WITH MIGRATION ================ 8213.58 LDB: ============= START OF LOAD BALANCING ============== 8213.97 LDB: ============== END OF LOAD BALANCING =============== 8213.97 LDB: =============== DONE WITH MIGRATION ================ 8213.97 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: 8211.66, 0.00391375/step Wall: 8211.66, 0.00391375/step, 0.495307 hours remaining, 115.328125 MB of memory in use. ENERGY: 2044400 624.3000 1911.2671 1964.0640 99.6427 1.1352 -1099.3558 0.0000 0.0000 2724.5628 6225.6162 300.9355 3501.0534 6260.2491 303.0605 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: 8212.44, 0.00391208/step Wall: 8212.44, 0.00391208/step, 0.494878 hours remaining, 115.328125 MB of memory in use. ENERGY: 2044600 631.9934 1822.3149 1969.6067 106.1530 0.9286 -1081.4822 0.0000 0.0000 2770.5524 6220.0668 306.0152 3449.5144 6257.6373 300.8581 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: 8213.22, 0.00391125/step Wall: 8213.22, 0.00391125/step, 0.494556 hours remaining, 115.328125 MB of memory in use. ENERGY: 2044800 674.0416 1842.3557 1960.4632 103.8096 1.6733 -1073.3642 0.0000 0.0000 2707.8484 6216.8276 299.0894 3508.9792 6250.4446 299.0608 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: 8214.01, 0.00391234/step Wall: 8214.01, 0.00391234/step, 0.494476 hours remaining, 115.328125 MB of memory in use. ENERGY: 2045000 662.9362 1867.8786 1948.4342 107.0895 1.7752 -1104.4057 0.0000 0.0000 2795.8563 6279.5642 308.8101 3483.7079 6315.4504 301.4387 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: 8214.79, 0.00391231/step Wall: 8214.79, 0.00391231/step, 0.494255 hours remaining, 115.328125 MB of memory in use. ENERGY: 2045200 640.0670 1897.4847 1953.4319 104.5125 0.7128 -1085.6844 0.0000 0.0000 2776.1175 6286.6420 306.6299 3510.5245 6320.3255 302.8113 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: 8215.57, 0.0039085/step Wall: 8215.57, 0.0039085/step, 0.493557 hours remaining, 115.328125 MB of memory in use. ENERGY: 2045400 676.5537 1869.3936 1958.5105 108.3901 0.4801 -1098.6484 0.0000 0.0000 2705.4468 6220.1264 298.8241 3514.6796 6253.1300 302.2256 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: 8216.35, 0.00391261/step Wall: 8216.35, 0.00391261/step, 0.493858 hours remaining, 115.328125 MB of memory in use. ENERGY: 2045600 654.0568 1895.2496 1964.4564 97.3449 0.6675 -1091.4016 0.0000 0.0000 2736.1738 6256.5475 302.2180 3520.3737 6290.9156 302.3411 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: 8217.14, 0.00391196/step Wall: 8217.14, 0.00391196/step, 0.49356 hours remaining, 115.328125 MB of memory in use. ENERGY: 2045800 641.7810 1886.1056 1980.9669 116.2187 0.7514 -1067.3085 0.0000 0.0000 2733.3413 6291.8563 301.9052 3558.5150 6325.2916 303.8044 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: 8217.92, 0.00391111/step Wall: 8217.92, 0.00391111/step, 0.493234 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2046000 611.6739 1857.3271 1958.2842 106.5842 0.9062 -1071.7188 0.0000 0.0000 2823.7853 6286.8422 311.8950 3463.0569 6323.9054 304.3292 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: 8218.7, 0.00391317/step Wall: 8218.7, 0.00391317/step, 0.493277 hours remaining, 115.328125 MB of memory in use. ENERGY: 2046200 644.5726 1877.2488 1948.5038 114.7130 0.3059 -1077.3507 0.0000 0.0000 2692.8648 6200.8583 297.4344 3507.9935 6231.2157 301.1635 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: 8219.48, 0.00390832/step Wall: 8219.48, 0.00390832/step, 0.492449 hours remaining, 115.328125 MB of memory in use. ENERGY: 2046400 667.5071 1817.3482 1951.9273 108.3014 1.3899 -1050.0084 0.0000 0.0000 2724.8405 6221.3059 300.9662 3496.4654 6253.8533 300.9941 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: 8220.26, 0.00391131/step Wall: 8220.26, 0.00391131/step, 0.492607 hours remaining, 115.328125 MB of memory in use. ENERGY: 2046600 650.1319 1867.5913 1924.1848 110.6539 1.1230 -1080.5910 0.0000 0.0000 2763.9381 6237.0321 305.2847 3473.0940 6272.5593 301.1080 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: 8221.05, 0.00391213/step Wall: 8221.05, 0.00391213/step, 0.492494 hours remaining, 115.328125 MB of memory in use. ENERGY: 2046800 624.3904 1891.6820 1945.0337 102.8783 0.5012 -1080.3828 0.0000 0.0000 2742.5683 6226.6711 302.9243 3484.1028 6258.8276 300.9846 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: 8221.83, 0.00391298/step Wall: 8221.83, 0.00391297/step, 0.492382 hours remaining, 115.328125 MB of memory in use. ENERGY: 2047000 647.4866 1848.9900 1947.8332 109.0743 1.0366 -1041.2412 0.0000 0.0000 2715.7926 6228.9721 299.9669 3513.1795 6260.9688 302.5291 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: 8222.61, 0.00390993/step Wall: 8222.61, 0.00390993/step, 0.491782 hours remaining, 115.328125 MB of memory in use. ENERGY: 2047200 648.5939 1851.4870 1940.5938 109.0798 0.5835 -1077.5538 0.0000 0.0000 2720.3967 6193.1808 300.4754 3472.7842 6224.7572 298.8863 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: 8223.39, 0.00391164/step Wall: 8223.39, 0.00391164/step, 0.49178 hours remaining, 115.328125 MB of memory in use. ENERGY: 2047400 648.5474 1871.4159 1934.4203 117.8595 0.9156 -1038.4372 0.0000 0.0000 2693.4473 6228.1689 297.4988 3534.7216 6261.5075 300.1180 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: 8224.18, 0.00391023/step Wall: 8224.18, 0.00391023/step, 0.491386 hours remaining, 115.328125 MB of memory in use. ENERGY: 2047600 656.5575 1855.2948 1934.1722 112.7583 2.1485 -1078.4111 0.0000 0.0000 2740.6313 6223.1515 302.7104 3482.5202 6253.9162 302.0547 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: 8224.96, 0.00391269/step Wall: 8224.96, 0.00391269/step, 0.491478 hours remaining, 115.328125 MB of memory in use. ENERGY: 2047800 640.3157 1880.0220 1942.1224 128.0794 1.0904 -1110.4190 0.0000 0.0000 2702.7049 6183.9157 298.5213 3481.2108 6217.0613 298.9071 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: 8225.74, 0.00391216/step Wall: 8225.74, 0.00391216/step, 0.491193 hours remaining, 115.328125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2048000 666.2986 1889.7451 1939.2418 107.5807 0.4399 -1085.2351 0.0000 0.0000 2689.0774 6207.1484 297.0161 3518.0709 6237.1184 299.8410 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: 8226.52, 0.00391002/step Wall: 8226.52, 0.00391003/step, 0.490709 hours remaining, 115.328125 MB of memory in use. ENERGY: 2048200 660.5387 1838.2192 1954.3297 112.4562 2.5411 -1073.7177 0.0000 0.0000 2673.1463 6167.5137 295.2565 3494.3673 6200.0875 299.0823 LDB: ============= START OF LOAD BALANCING ============== 8229.22 LDB: ============== END OF LOAD BALANCING =============== 8229.22 LDB: =============== DONE WITH MIGRATION ================ 8229.22 LDB: ============= START OF LOAD BALANCING ============== 8229.61 LDB: ============== END OF LOAD BALANCING =============== 8229.61 LDB: =============== DONE WITH MIGRATION ================ 8229.61 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: 8227.31, 0.0039145/step Wall: 8227.31, 0.0039145/step, 0.491052 hours remaining, 115.328125 MB of memory in use. ENERGY: 2048400 634.6130 1877.3114 1977.5633 103.8823 0.4169 -1062.8414 0.0000 0.0000 2665.9770 6196.9225 294.4646 3530.9455 6228.5203 298.5800 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: 8228.09, 0.00391266/step Wall: 8228.09, 0.00391266/step, 0.490605 hours remaining, 115.328125 MB of memory in use. ENERGY: 2048600 657.3457 1879.8146 1953.2064 100.4534 1.1186 -1081.8598 0.0000 0.0000 2704.4645 6214.5434 298.7156 3510.0789 6248.9611 300.1269 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: 8228.87, 0.00391219/step Wall: 8228.87, 0.00391219/step, 0.490328 hours remaining, 115.328125 MB of memory in use. ENERGY: 2048800 659.8268 1868.1274 1965.1889 105.9386 0.1271 -1071.6228 0.0000 0.0000 2715.8786 6243.4647 299.9764 3527.5861 6278.1818 300.7585 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: 8229.66, 0.00392266/step Wall: 8229.66, 0.00392266/step, 0.491422 hours remaining, 115.328125 MB of memory in use. ENERGY: 2049000 635.1474 1864.0145 1980.9370 116.2637 -0.5226 -1071.6231 0.0000 0.0000 2761.8736 6286.0904 305.0566 3524.2169 6318.3160 303.0087 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: 8230.44, 0.00391402/step Wall: 8230.44, 0.00391402/step, 0.490122 hours remaining, 115.328125 MB of memory in use. ENERGY: 2049200 663.3915 1917.0191 1948.5840 103.3725 0.3225 -1112.2653 0.0000 0.0000 2825.6220 6346.0464 312.0978 3520.4244 6382.1328 306.5122 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: 8231.22, 0.00391279/step Wall: 8231.22, 0.00391279/step, 0.489751 hours remaining, 115.328125 MB of memory in use. ENERGY: 2049400 672.5528 1911.4660 1945.0735 112.3016 0.6155 -1126.2057 0.0000 0.0000 2808.1819 6323.9857 310.1715 3515.8038 6360.5989 307.1813 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: 8232, 0.0039114/step Wall: 8232, 0.0039114/step, 0.489359 hours remaining, 115.328125 MB of memory in use. ENERGY: 2049600 641.4560 1929.7251 1959.1156 102.9899 -0.0471 -1073.1101 0.0000 0.0000 2821.7350 6381.8644 311.6685 3560.1295 6415.2583 309.1788 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: 8232.79, 0.00391106/step Wall: 8232.79, 0.00391106/step, 0.4891 hours remaining, 115.328125 MB of memory in use. ENERGY: 2049800 672.1083 1911.3341 1984.6881 109.5330 1.6374 -1073.4073 0.0000 0.0000 2703.8576 6309.7513 298.6486 3605.8936 6341.3232 307.3440 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: 8233.57, 0.00391008/step Wall: 8233.57, 0.00391008/step, 0.488761 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2050000 629.5908 1898.7989 1972.7930 115.8411 1.8819 -1055.7492 0.0000 0.0000 2774.2419 6337.3983 306.4228 3563.1564 6369.5831 306.4869 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2050000 WRITING COORDINATES TO DCD FILE MD.1.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: 8235.72, 0.010784/step Wall: 8235.72, 0.010784/step, 1.3474 hours remaining, 115.468750 MB of memory in use. ENERGY: 2050200 681.7419 1803.3629 1961.9116 105.6560 0.1590 -1072.2179 0.0000 0.0000 2839.0923 6319.7059 313.5857 3480.6136 6354.9534 306.2513 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: 8236.51, 0.00390945/step Wall: 8236.51, 0.00390945/step, 0.488247 hours remaining, 115.468750 MB of memory in use. ENERGY: 2050400 677.6107 1923.7071 1958.3858 107.4146 1.0358 -1093.4110 0.0000 0.0000 2766.0855 6340.8284 305.5218 3574.7429 6371.4433 306.2019 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: 8237.29, 0.00391189/step Wall: 8237.29, 0.00391189/step, 0.488334 hours remaining, 115.468750 MB of memory in use. ENERGY: 2050600 648.0930 1896.1301 1981.0261 114.9440 2.9739 -1060.0383 0.0000 0.0000 2809.9593 6393.0881 310.3678 3583.1289 6429.5743 310.1514 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: 8238.07, 0.00391713/step Wall: 8238.07, 0.00391713/step, 0.488771 hours remaining, 115.468750 MB of memory in use. ENERGY: 2050800 659.2705 1864.7900 1960.9288 114.4547 0.6769 -1075.8628 0.0000 0.0000 2753.0822 6277.3403 304.0856 3524.2581 6309.5398 306.2926 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: 8238.85, 0.0039117/step Wall: 8238.85, 0.0039117/step, 0.487875 hours remaining, 115.468750 MB of memory in use. ENERGY: 2051000 649.8497 1826.0593 1963.1874 98.5154 2.1509 -1078.7419 0.0000 0.0000 2752.9512 6213.9721 304.0711 3461.0210 6251.9617 300.8011 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: 8239.64, 0.00390961/step Wall: 8239.64, 0.00390961/step, 0.487398 hours remaining, 115.468750 MB of memory in use. ENERGY: 2051200 666.0594 1823.9771 1977.2789 111.2883 2.7328 -1045.4102 0.0000 0.0000 2701.0383 6236.9646 298.3372 3535.9263 6269.6711 301.0364 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: 8240.42, 0.0039134/step Wall: 8240.42, 0.0039134/step, 0.487653 hours remaining, 115.468750 MB of memory in use. ENERGY: 2051400 652.4268 1858.8238 1942.8197 107.7141 1.9152 -1122.2245 0.0000 0.0000 2767.7289 6209.2043 305.7034 3441.4753 6244.3579 301.5676 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: 8241.2, 0.00391132/step Wall: 8241.2, 0.00391132/step, 0.487177 hours remaining, 115.468750 MB of memory in use. ENERGY: 2051600 675.8039 1860.2016 1962.8704 110.3475 2.5209 -1112.9085 0.0000 0.0000 2680.8337 6179.6695 296.1056 3498.8358 6212.6586 298.8807 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: 8241.98, 0.00391208/step Wall: 8241.98, 0.00391208/step, 0.487054 hours remaining, 115.468750 MB of memory in use. ENERGY: 2051800 650.2618 1848.9640 1953.7867 103.6364 3.0718 -1100.9525 0.0000 0.0000 2651.6077 6110.3759 292.8775 3458.7682 6141.2577 295.9034 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: 8242.77, 0.00391146/step Wall: 8242.77, 0.00391147/step, 0.486761 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2052000 642.0669 1831.3570 1916.6129 121.9227 2.4726 -1057.0169 0.0000 0.0000 2640.9803 6098.3953 291.7036 3457.4150 6130.0079 294.5864 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: 8243.55, 0.00390908/step Wall: 8243.55, 0.00390908/step, 0.486246 hours remaining, 115.468750 MB of memory in use. ENERGY: 2052200 645.9763 1811.6255 1939.4500 115.7302 2.9256 -1072.8930 0.0000 0.0000 2689.8561 6132.6708 297.1021 3442.8147 6162.7922 295.9011 LDB: ============= START OF LOAD BALANCING ============== 8246.25 LDB: ============== END OF LOAD BALANCING =============== 8246.25 LDB: =============== DONE WITH MIGRATION ================ 8246.25 LDB: ============= START OF LOAD BALANCING ============== 8246.64 LDB: ============== END OF LOAD BALANCING =============== 8246.64 LDB: =============== DONE WITH MIGRATION ================ 8246.64 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: 8244.33, 0.00391694/step Wall: 8244.33, 0.00391694/step, 0.487006 hours remaining, 115.468750 MB of memory in use. ENERGY: 2052400 664.7953 1851.6273 1925.3935 101.2114 2.5373 -1082.9397 0.0000 0.0000 2644.3830 6107.0081 292.0795 3462.6251 6138.7073 293.8670 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: 8245.11, 0.00391117/step Wall: 8245.11, 0.00391117/step, 0.486071 hours remaining, 115.468750 MB of memory in use. ENERGY: 2052600 623.0524 1869.2760 1959.7613 125.4103 2.5311 -1091.9485 0.0000 0.0000 2664.6550 6152.7374 294.3186 3488.0823 6182.6901 295.6216 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: 8245.9, 0.00391119/step Wall: 8245.9, 0.00391119/step, 0.485856 hours remaining, 115.468750 MB of memory in use. ENERGY: 2052800 657.2720 1814.9185 1957.7974 114.9374 2.7272 -1095.6235 0.0000 0.0000 2664.4014 6116.4304 294.2906 3452.0290 6146.6661 297.1355 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: 8246.68, 0.0039083/step Wall: 8246.68, 0.0039083/step, 0.485281 hours remaining, 115.468750 MB of memory in use. ENERGY: 2053000 628.1649 1779.2977 1974.2574 125.2284 2.7480 -1106.3958 0.0000 0.0000 2673.4966 6076.7971 295.2951 3403.3005 6112.7050 293.1567 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: 8247.46, 0.00391091/step Wall: 8247.46, 0.00391091/step, 0.485387 hours remaining, 115.468750 MB of memory in use. ENERGY: 2053200 671.5760 1860.9929 1952.3381 107.3494 1.3371 -1120.6056 0.0000 0.0000 2640.3199 6113.3077 291.6307 3472.9878 6145.5287 294.7726 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: 8248.24, 0.00391055/step Wall: 8248.24, 0.00391055/step, 0.485126 hours remaining, 115.468750 MB of memory in use. ENERGY: 2053400 646.2556 1836.8579 1946.9048 105.6503 2.6194 -1084.2276 0.0000 0.0000 2734.1064 6188.1669 301.9897 3454.0605 6223.4070 296.6295 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: 8249.02, 0.00391252/step Wall: 8249.02, 0.00391252/step, 0.485152 hours remaining, 115.468750 MB of memory in use. ENERGY: 2053600 620.6550 1818.2596 1954.7582 107.8731 2.6141 -1076.6856 0.0000 0.0000 2694.2727 6121.7470 297.5899 3427.4743 6154.7466 296.7636 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: 8249.81, 0.00391146/step Wall: 8249.81, 0.00391146/step, 0.484804 hours remaining, 115.468750 MB of memory in use. ENERGY: 2053800 643.1611 1850.5933 1916.5484 103.8663 3.2134 -1100.5344 0.0000 0.0000 2697.3383 6114.1864 297.9285 3416.8480 6145.7433 295.5953 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: 8250.59, 0.00390848/step Wall: 8250.59, 0.00390848/step, 0.484217 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2054000 621.2882 1828.2451 1962.0451 113.9477 2.3419 -1101.1623 0.0000 0.0000 2688.7864 6115.4920 296.9839 3426.7056 6148.5176 295.6785 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: 8251.37, 0.00391149/step Wall: 8251.37, 0.00391149/step, 0.484372 hours remaining, 115.468750 MB of memory in use. ENERGY: 2054200 629.3830 1819.9995 1942.7820 107.0270 2.2430 -1067.5732 0.0000 0.0000 2671.2608 6105.1222 295.0482 3433.8614 6135.4585 295.6375 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: 8252.15, 0.00391116/step Wall: 8252.15, 0.00391117/step, 0.484116 hours remaining, 115.468750 MB of memory in use. ENERGY: 2054400 677.5987 1791.3019 1974.5893 104.3407 0.8346 -1115.6541 0.0000 0.0000 2720.0501 6153.0613 300.4371 3433.0112 6186.2577 296.8389 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: 8252.93, 0.00391055/step Wall: 8252.93, 0.00391055/step, 0.483823 hours remaining, 115.468750 MB of memory in use. ENERGY: 2054600 649.0021 1843.8539 1963.5601 100.9765 1.9394 -1106.0254 0.0000 0.0000 2719.2829 6172.5896 300.3524 3453.3066 6203.1818 296.3371 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: 8253.72, 0.00390838/step Wall: 8253.72, 0.00390838/step, 0.483336 hours remaining, 115.468750 MB of memory in use. ENERGY: 2054800 642.5198 1864.6950 1968.6043 108.5353 0.7801 -1087.7174 0.0000 0.0000 2683.0255 6180.4426 296.3476 3497.4171 6213.5927 298.7038 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: 8254.5, 0.00391219/step Wall: 8254.5, 0.00391219/step, 0.48359 hours remaining, 115.468750 MB of memory in use. ENERGY: 2055000 672.0308 1853.3849 1985.0005 119.4043 2.5339 -1076.3127 0.0000 0.0000 2592.5852 6148.6269 286.3583 3556.0417 6176.4313 295.7905 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: 8255.28, 0.00391325/step Wall: 8255.28, 0.00391325/step, 0.483503 hours remaining, 115.468750 MB of memory in use. ENERGY: 2055200 640.9449 1857.0481 1927.4526 114.3786 1.1094 -1059.1553 0.0000 0.0000 2720.3784 6202.1567 300.4734 3481.7783 6233.1361 297.3366 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: 8256.06, 0.00391272/step Wall: 8256.06, 0.00391272/step, 0.483221 hours remaining, 115.468750 MB of memory in use. ENERGY: 2055400 645.0102 1857.6685 1947.3320 112.9299 0.7738 -1049.4225 0.0000 0.0000 2686.3438 6200.6356 296.7142 3514.2918 6231.0366 299.1670 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: 8256.85, 0.00391436/step Wall: 8256.85, 0.00391436/step, 0.483207 hours remaining, 115.468750 MB of memory in use. ENERGY: 2055600 615.4752 1840.9372 1947.6810 102.7027 2.3628 -1018.7783 0.0000 0.0000 2710.9522 6201.3327 299.4322 3490.3805 6232.5724 297.9287 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: 8257.63, 0.00390872/step Wall: 8257.63, 0.00390872/step, 0.482293 hours remaining, 115.468750 MB of memory in use. ENERGY: 2055800 671.8000 1810.8942 1944.1205 98.1221 1.3912 -1057.8943 0.0000 0.0000 2732.1838 6200.6175 301.7773 3468.4337 6233.8974 298.6583 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: 8258.41, 0.00391484/step Wall: 8258.41, 0.00391484/step, 0.48283 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2056000 709.0553 1858.4179 1933.5633 104.6155 1.5415 -1071.3573 0.0000 0.0000 2736.0907 6271.9267 302.2088 3535.8361 6304.9175 300.3755 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: 8259.19, 0.00391232/step Wall: 8259.19, 0.00391232/step, 0.482303 hours remaining, 115.468750 MB of memory in use. ENERGY: 2056200 624.9910 1860.7653 1949.8036 92.7163 1.2280 -1068.5427 0.0000 0.0000 2705.0391 6166.0007 298.7791 3460.9616 6198.9530 301.3507 LDB: ============= START OF LOAD BALANCING ============== 8261.89 LDB: ============== END OF LOAD BALANCING =============== 8261.89 LDB: =============== DONE WITH MIGRATION ================ 8261.89 LDB: ============= START OF LOAD BALANCING ============== 8262.29 LDB: ============== END OF LOAD BALANCING =============== 8262.29 LDB: =============== DONE WITH MIGRATION ================ 8262.29 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: 8259.98, 0.00391824/step Wall: 8259.98, 0.00391824/step, 0.482814 hours remaining, 115.468750 MB of memory in use. ENERGY: 2056400 658.7034 1835.7658 1957.6657 104.0963 1.2359 -1049.2928 0.0000 0.0000 2720.7595 6228.9338 300.5155 3508.1743 6261.4819 299.3593 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: 8260.76, 0.00391317/step Wall: 8260.76, 0.00391317/step, 0.481973 hours remaining, 115.468750 MB of memory in use. ENERGY: 2056600 645.8070 1856.6528 1932.4724 106.4517 2.4575 -1062.4338 0.0000 0.0000 2711.8171 6193.2247 299.5278 3481.4076 6222.9189 301.2219 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: 8261.54, 0.00390975/step Wall: 8261.54, 0.00390975/step, 0.481334 hours remaining, 115.468750 MB of memory in use. ENERGY: 2056800 682.3028 1814.1345 1930.6776 117.7113 0.0188 -1058.8083 0.0000 0.0000 2731.3204 6217.3570 301.6819 3486.0367 6249.4920 299.8982 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: 8262.33, 0.00391465/step Wall: 8262.33, 0.00391465/step, 0.48172 hours remaining, 115.468750 MB of memory in use. ENERGY: 2057000 653.3900 1796.1903 1956.2252 118.7160 1.0010 -1078.7071 0.0000 0.0000 2780.8199 6227.6353 307.1493 3446.8155 6259.9821 300.5673 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: 8263.11, 0.00391286/step Wall: 8263.11, 0.00391286/step, 0.481282 hours remaining, 115.468750 MB of memory in use. ENERGY: 2057200 660.4853 1822.6397 1955.4484 107.5349 0.4825 -1090.0034 0.0000 0.0000 2751.8831 6208.4704 303.9531 3456.5874 6241.7459 302.3500 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: 8263.89, 0.00391521/step Wall: 8263.89, 0.00391521/step, 0.481353 hours remaining, 115.468750 MB of memory in use. ENERGY: 2057400 654.5624 1822.2003 1968.9138 103.1668 2.3934 -1041.6353 0.0000 0.0000 2673.9861 6183.5874 295.3492 3509.6013 6216.4596 299.7900 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: 8264.67, 0.00390912/step Wall: 8264.67, 0.00390912/step, 0.480388 hours remaining, 115.468750 MB of memory in use. ENERGY: 2057600 627.0073 1795.1276 1927.1897 109.5039 2.4847 -1032.0341 0.0000 0.0000 2763.0608 6192.3399 305.1878 3429.2791 6224.8135 299.2127 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: 8265.46, 0.00391328/step Wall: 8265.46, 0.00391328/step, 0.480681 hours remaining, 115.468750 MB of memory in use. ENERGY: 2057800 623.2870 1895.1919 1954.5850 108.6384 0.0218 -1064.9257 0.0000 0.0000 2652.9094 6169.7079 293.0212 3516.7984 6202.8269 298.8505 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: 8266.24, 0.00391222/step Wall: 8266.24, 0.00391222/step, 0.480333 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2058000 671.6560 1831.3004 1947.8134 102.8642 0.9544 -1067.2762 0.0000 0.0000 2691.3010 6178.6133 297.2617 3487.3122 6210.0920 297.5662 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: 8267.02, 0.00391536/step Wall: 8267.02, 0.00391536/step, 0.480502 hours remaining, 115.468750 MB of memory in use. ENERGY: 2058200 639.2407 1787.1506 1955.7896 103.1605 0.9643 -1054.5381 0.0000 0.0000 2732.2353 6164.0030 301.7830 3431.7676 6199.4355 297.7073 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: 8267.8, 0.00391399/step Wall: 8267.8, 0.00391399/step, 0.480116 hours remaining, 115.468750 MB of memory in use. ENERGY: 2058400 654.9472 1863.3272 1922.5263 114.2174 2.0195 -1080.4525 0.0000 0.0000 2667.1010 6143.6860 294.5887 3476.5851 6175.2359 296.2272 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: 8269.02, 0.00607137/step Wall: 8269.02, 0.00607137/step, 0.744418 hours remaining, 115.468750 MB of memory in use. ENERGY: 2058600 646.2783 1821.1028 1933.4312 114.0873 0.9357 -1066.7446 0.0000 0.0000 2719.3086 6168.3992 300.3552 3449.0906 6201.4778 296.0876 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: 8269.81, 0.00393735/step Wall: 8269.81, 0.00393735/step, 0.482545 hours remaining, 115.468750 MB of memory in use. ENERGY: 2058800 654.8494 1882.2335 1935.5132 106.3063 1.2658 -1084.2691 0.0000 0.0000 2733.8107 6229.7098 301.9570 3495.8991 6261.8380 299.5267 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: 8270.59, 0.0039074/step Wall: 8270.59, 0.00390739/step, 0.478655 hours remaining, 115.468750 MB of memory in use. ENERGY: 2059000 664.6277 1865.5473 1967.7965 104.7005 0.4710 -1081.2972 0.0000 0.0000 2706.4798 6228.3256 298.9382 3521.8458 6260.4162 299.3796 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: 8271.37, 0.0039123/step Wall: 8271.37, 0.0039123/step, 0.479039 hours remaining, 115.468750 MB of memory in use. ENERGY: 2059200 635.3430 1890.1466 1930.4078 116.6854 0.9697 -1044.9875 0.0000 0.0000 2705.1910 6233.7561 298.7959 3528.5650 6267.6658 299.7733 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: 8272.15, 0.00391369/step Wall: 8272.15, 0.00391369/step, 0.478992 hours remaining, 115.468750 MB of memory in use. ENERGY: 2059400 645.5136 1878.8513 1976.3141 111.5121 1.7002 -1079.0932 0.0000 0.0000 2650.2094 6185.0074 292.7230 3534.7980 6217.5564 299.7221 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: 8272.94, 0.00393746/step Wall: 8272.94, 0.00393746/step, 0.481683 hours remaining, 115.468750 MB of memory in use. ENERGY: 2059600 651.4247 1862.9216 1936.4199 107.6784 1.1455 -1104.3823 0.0000 0.0000 2706.4559 6161.6637 298.9356 3455.2078 6193.2637 297.9831 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: 8273.73, 0.00393448/step Wall: 8273.73, 0.00393448/step, 0.481099 hours remaining, 115.468750 MB of memory in use. ENERGY: 2059800 637.7560 1824.5099 1929.8845 107.4481 1.7499 -1085.7568 0.0000 0.0000 2699.4921 6115.0837 298.1664 3415.5916 6149.7338 298.1644 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: 8274.52, 0.00395455/step Wall: 8274.52, 0.00395455/step, 0.483334 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2060000 640.7679 1796.3215 1926.1604 114.0052 1.4274 -1087.0799 0.0000 0.0000 2760.5638 6152.1663 304.9120 3391.6025 6188.6302 297.7309 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2060000 WRITING COORDINATES TO DCD FILE MD.1.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: 8275.38, 0.00430846/step Wall: 8275.38, 0.00430846/step, 0.526351 hours remaining, 115.468750 MB of memory in use. ENERGY: 2060200 666.8178 1854.4834 1905.9234 103.3437 1.4733 -1079.0122 0.0000 0.0000 2706.0436 6159.0731 298.8901 3453.0295 6193.0161 297.4484 LDB: ============= START OF LOAD BALANCING ============== 8278.1 LDB: ============== END OF LOAD BALANCING =============== 8278.1 LDB: =============== DONE WITH MIGRATION ================ 8278.1 LDB: ============= START OF LOAD BALANCING ============== 8278.51 LDB: ============== END OF LOAD BALANCING =============== 8278.51 LDB: =============== DONE WITH MIGRATION ================ 8278.51 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: 8276.21, 0.00413197/step Wall: 8276.21, 0.00413197/step, 0.504559 hours remaining, 115.468750 MB of memory in use. ENERGY: 2060400 652.6490 1827.1528 1953.6272 123.9570 1.1283 -1031.5456 0.0000 0.0000 2684.7411 6211.7099 296.5371 3526.9687 6246.1195 297.8241 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: 8277.03, 0.00410849/step Wall: 8277.03, 0.00410849/step, 0.501465 hours remaining, 115.468750 MB of memory in use. ENERGY: 2060600 648.4163 1811.1160 1942.7754 121.6272 2.2599 -1088.1580 0.0000 0.0000 2724.5134 6162.5502 300.9301 3438.0369 6195.5927 298.7538 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: 8277.83, 0.00402987/step Wall: 8277.83, 0.00402987/step, 0.491645 hours remaining, 115.468750 MB of memory in use. ENERGY: 2060800 636.9943 1872.5260 1937.8000 110.2849 2.2279 -1065.0234 0.0000 0.0000 2736.9060 6231.7157 302.2989 3494.8097 6264.0891 299.4347 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: 8278.65, 0.00409523/step Wall: 8278.65, 0.00409523/step, 0.49939 hours remaining, 115.468750 MB of memory in use. ENERGY: 2061000 661.9924 1825.4571 1981.3430 109.6553 1.3137 -1051.0884 0.0000 0.0000 2711.4280 6240.1011 299.4848 3528.6731 6274.3761 300.2532 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: 8279.49, 0.00420907/step Wall: 8279.49, 0.00420907/step, 0.513039 hours remaining, 115.468750 MB of memory in use. ENERGY: 2061200 652.8114 1848.2725 1954.4537 107.8006 0.6110 -1076.2052 0.0000 0.0000 2726.1208 6213.8646 301.1076 3487.7439 6247.3428 300.6442 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: 8280.32, 0.00414546/step Wall: 8280.32, 0.00414546/step, 0.505055 hours remaining, 115.468750 MB of memory in use. ENERGY: 2061400 634.6370 1891.3430 1933.5796 111.8245 1.7582 -1059.9776 0.0000 0.0000 2692.5130 6205.6777 297.3956 3513.1647 6238.4570 300.0224 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: 8281.15, 0.00413702/step Wall: 8281.15, 0.00413702/step, 0.503797 hours remaining, 115.468750 MB of memory in use. ENERGY: 2061600 661.3914 1827.3038 1923.0850 106.5124 2.6342 -1036.7122 0.0000 0.0000 2756.3783 6240.5929 304.4497 3484.2146 6277.2826 300.9589 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: 8281.96, 0.00405552/step Wall: 8281.96, 0.00405552/step, 0.493647 hours remaining, 115.468750 MB of memory in use. ENERGY: 2061800 652.6603 1920.6531 1934.1009 105.6456 2.4788 -1091.3562 0.0000 0.0000 2752.9671 6277.1496 304.0729 3524.1825 6308.4823 301.8966 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: 8282.79, 0.00412995/step Wall: 8282.79, 0.00412995/step, 0.502477 hours remaining, 115.468750 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2062000 647.3126 1915.3097 1963.8976 111.9164 0.6627 -1069.2784 0.0000 0.0000 2777.4396 6347.2602 306.7759 3569.8206 6379.3857 305.3290 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: 8283.6, 0.0040415/step Wall: 8283.6, 0.0040415/step, 0.491491 hours remaining, 115.468750 MB of memory in use. ENERGY: 2062200 702.6860 1851.7588 1952.8766 101.3816 1.6924 -1066.4306 0.0000 0.0000 2805.1818 6349.1466 309.8401 3543.9648 6384.3719 308.2168 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: 8284.41, 0.00409326/step Wall: 8284.41, 0.00409326/step, 0.497558 hours remaining, 115.468750 MB of memory in use. ENERGY: 2062400 686.6626 1869.0418 1956.5653 108.2432 0.5940 -1076.8871 0.0000 0.0000 2812.9879 6357.2078 310.7023 3544.2199 6393.1718 306.9659 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: 8285.23, 0.00405596/step Wall: 8285.23, 0.00405596/step, 0.492799 hours remaining, 115.570312 MB of memory in use. ENERGY: 2062600 707.4456 1832.2032 1943.9268 116.8428 1.2415 -1069.9210 0.0000 0.0000 2744.1835 6275.9223 303.1027 3531.7389 6309.6646 305.7183 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: 8286.05, 0.00414582/step Wall: 8286.05, 0.00414582/step, 0.503486 hours remaining, 115.570312 MB of memory in use. ENERGY: 2062800 633.2985 1861.3704 1952.5958 125.8242 0.3924 -1063.8853 0.0000 0.0000 2766.6890 6276.2849 305.5885 3509.5959 6309.1566 303.7684 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: 8286.89, 0.00419913/step Wall: 8286.89, 0.00419912/step, 0.509727 hours remaining, 115.574219 MB of memory in use. ENERGY: 2063000 655.0931 1893.0164 1937.7856 112.9058 1.4621 -1116.2487 0.0000 0.0000 2691.2075 6175.2218 297.2514 3484.0143 6206.9020 301.9272 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: 8287.75, 0.00426298/step Wall: 8287.75, 0.00426299/step, 0.517243 hours remaining, 115.574219 MB of memory in use. ENERGY: 2063200 644.3338 1870.9480 1964.3375 123.2883 0.8032 -1098.9993 0.0000 0.0000 2715.2140 6219.9254 299.9029 3504.7114 6254.3506 300.6087 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: 8288.58, 0.00415493/step Wall: 8288.58, 0.00415493/step, 0.5039 hours remaining, 115.574219 MB of memory in use. ENERGY: 2063400 681.8114 1857.6240 1947.7342 107.7534 0.0340 -1088.5227 0.0000 0.0000 2697.5827 6204.0168 297.9555 3506.4342 6238.6725 300.8863 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: 8289.4, 0.0041007/step Wall: 8289.4, 0.0041007/step, 0.497096 hours remaining, 115.574219 MB of memory in use. ENERGY: 2063600 660.0667 1842.3782 1966.3326 109.9292 1.5870 -1085.7851 0.0000 0.0000 2759.8949 6254.4035 304.8381 3494.5086 6286.5221 302.0992 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: 8290.23, 0.00414934/step Wall: 8290.23, 0.00414934/step, 0.502762 hours remaining, 115.574219 MB of memory in use. ENERGY: 2063800 664.1085 1870.4096 1932.0999 107.6207 0.8223 -1070.0247 0.0000 0.0000 2740.8950 6245.9313 302.7395 3505.0363 6280.4570 302.9220 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: 8291.07, 0.00419997/step Wall: 8291.07, 0.00419997/step, 0.508663 hours remaining, 115.574219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2064000 677.8453 1834.0759 1964.1734 104.8292 0.0948 -1096.3409 0.0000 0.0000 2786.7249 6271.4026 307.8015 3484.6777 6302.6799 302.1691 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: 8291.91, 0.00418999/step Wall: 8291.91, 0.00418999/step, 0.507222 hours remaining, 115.574219 MB of memory in use. ENERGY: 2064200 657.4451 1877.4584 1955.1425 117.9778 1.5049 -1051.8552 0.0000 0.0000 2735.7601 6293.4335 302.1723 3557.6734 6329.1033 305.2552 LDB: ============= START OF LOAD BALANCING ============== 8294.64 LDB: ============== END OF LOAD BALANCING =============== 8294.64 LDB: =============== DONE WITH MIGRATION ================ 8294.64 LDB: ============= START OF LOAD BALANCING ============== 8295.07 LDB: ============== END OF LOAD BALANCING =============== 8295.07 LDB: =============== DONE WITH MIGRATION ================ 8295.07 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: 8292.76, 0.00428938/step Wall: 8292.76, 0.00428938/step, 0.519015 hours remaining, 115.574219 MB of memory in use. ENERGY: 2064400 678.0193 1845.0985 1974.3321 109.4825 0.5564 -1098.9808 0.0000 0.0000 2736.1780 6244.6861 302.2185 3508.5081 6278.2843 303.7262 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: 8293.63, 0.00432333/step Wall: 8293.63, 0.00432333/step, 0.522883 hours remaining, 115.574219 MB of memory in use. ENERGY: 2064600 681.2474 1916.5860 1930.4611 117.4935 0.1914 -1081.2103 0.0000 0.0000 2708.2929 6273.0619 299.1385 3564.7690 6301.9044 302.5383 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: 8294.49, 0.00432437/step Wall: 8294.49, 0.00432437/step, 0.522768 hours remaining, 115.574219 MB of memory in use. ENERGY: 2064800 661.9014 1849.6999 1954.2983 105.4290 0.4246 -1061.5591 0.0000 0.0000 2785.8451 6296.0393 307.7044 3510.1942 6331.4570 302.6455 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: 8295.36, 0.00434662/step Wall: 8295.36, 0.00434662/step, 0.525217 hours remaining, 115.574219 MB of memory in use. ENERGY: 2065000 643.4008 1852.6854 1931.0033 107.6017 0.7731 -1049.2734 0.0000 0.0000 2763.4563 6249.6473 305.2315 3486.1910 6284.5136 303.0529 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: 8296.22, 0.00429642/step Wall: 8296.22, 0.00429642/step, 0.518912 hours remaining, 115.574219 MB of memory in use. ENERGY: 2065200 641.7286 1879.3575 1962.4018 109.9427 1.2564 -1042.4232 0.0000 0.0000 2750.0569 6302.3207 303.7514 3552.2638 6331.1171 302.6758 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: 8297.09, 0.00431507/step Wall: 8297.09, 0.00431507/step, 0.520924 hours remaining, 115.574219 MB of memory in use. ENERGY: 2065400 660.9056 1852.5767 1941.1779 102.3970 0.7057 -1045.7162 0.0000 0.0000 2761.0405 6273.0872 304.9646 3512.0467 6307.6756 304.7512 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: 8297.96, 0.00439079/step Wall: 8297.96, 0.00439079/step, 0.529821 hours remaining, 115.578125 MB of memory in use. ENERGY: 2065600 663.9389 1877.7792 1956.0266 109.7809 0.2477 -1074.9134 0.0000 0.0000 2708.0768 6240.9366 299.1146 3532.8599 6273.6759 302.6061 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: 8298.83, 0.00434253/step Wall: 8298.83, 0.00434253/step, 0.523758 hours remaining, 115.578125 MB of memory in use. ENERGY: 2065800 663.7306 1831.7069 1943.8429 107.7957 0.8082 -1042.3754 0.0000 0.0000 2752.4059 6257.9147 304.0109 3505.5089 6292.4644 301.3334 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: 8299.68, 0.00426533/step Wall: 8299.68, 0.00426533/step, 0.514209 hours remaining, 115.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2066000 684.6443 1827.3726 1938.1906 106.7627 1.6423 -1053.0720 0.0000 0.0000 2751.6867 6257.2272 303.9315 3505.5406 6288.5971 303.1249 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: 8300.56, 0.00436014/step Wall: 8300.56, 0.00436013/step, 0.525396 hours remaining, 115.578125 MB of memory in use. ENERGY: 2066200 661.6115 1878.7173 1996.0050 105.4807 2.5741 -1100.7481 0.0000 0.0000 2724.8829 6268.5233 300.9709 3543.6404 6302.0522 301.7462 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: 8301.42, 0.0043153/step Wall: 8301.42, 0.00431531/step, 0.519755 hours remaining, 115.578125 MB of memory in use. ENERGY: 2066400 643.2997 1883.7082 1948.5481 104.1578 1.9522 -1055.3013 0.0000 0.0000 2769.9016 6296.2662 305.9433 3526.3646 6330.5868 304.1198 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: 8302.28, 0.00429392/step Wall: 8302.28, 0.00429392/step, 0.516941 hours remaining, 115.578125 MB of memory in use. ENERGY: 2066600 661.7619 1896.5533 1964.6654 119.1607 0.6855 -1047.8392 0.0000 0.0000 2707.6649 6302.6525 299.0691 3594.9876 6334.0749 304.9010 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: 8303.15, 0.0043568/step Wall: 8303.15, 0.0043568/step, 0.524268 hours remaining, 115.578125 MB of memory in use. ENERGY: 2066800 698.3060 1822.6880 1968.6980 110.3441 0.2585 -1123.0367 0.0000 0.0000 2754.9775 6232.2354 304.2949 3477.2579 6265.3890 302.5189 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: 8304.03, 0.00440468/step Wall: 8304.03, 0.00440468/step, 0.529785 hours remaining, 115.578125 MB of memory in use. ENERGY: 2067000 680.1803 1880.7952 1942.0934 97.5626 1.2956 -1116.7563 0.0000 0.0000 2764.0301 6249.2009 305.2948 3485.1708 6282.1526 301.2536 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: 8304.92, 0.00443761/step Wall: 8304.92, 0.00443761/step, 0.5335 hours remaining, 115.578125 MB of memory in use. ENERGY: 2067200 670.9438 1754.0317 1962.6250 106.4088 1.1004 -1096.5918 0.0000 0.0000 2795.1925 6193.7103 308.7368 3398.5178 6232.9207 302.2377 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: 8305.81, 0.00445374/step Wall: 8305.81, 0.00445374/step, 0.535191 hours remaining, 115.578125 MB of memory in use. ENERGY: 2067400 656.3748 1855.4462 1939.7177 111.9114 1.8621 -1075.5243 0.0000 0.0000 2698.8982 6188.6860 298.1008 3489.7878 6221.3741 299.4179 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: 8306.69, 0.00438545/step Wall: 8306.69, 0.00438545/step, 0.526741 hours remaining, 115.578125 MB of memory in use. ENERGY: 2067600 687.5284 1881.4086 1925.7923 105.3284 1.2093 -1109.2240 0.0000 0.0000 2698.2494 6190.2925 298.0292 3492.0431 6224.7529 300.1937 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: 8307.57, 0.00440578/step Wall: 8307.57, 0.00440578/step, 0.528938 hours remaining, 115.578125 MB of memory in use. ENERGY: 2067800 668.7719 1954.3256 1909.3842 104.5073 1.9859 -1131.6297 0.0000 0.0000 2737.2115 6244.5566 302.3326 3507.3451 6276.4449 302.6973 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: 8308.44, 0.00435565/step Wall: 8308.44, 0.00435565/step, 0.522679 hours remaining, 115.578125 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2068000 667.8802 1906.5016 1937.6395 115.7215 -0.2214 -1103.2739 0.0000 0.0000 2698.8834 6223.1310 298.0992 3524.2476 6257.3554 301.8563 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: 8309.31, 0.00435894/step Wall: 8309.31, 0.00435894/step, 0.522831 hours remaining, 115.578125 MB of memory in use. ENERGY: 2068200 678.5847 1820.5350 1952.4652 109.7999 0.6400 -1083.7627 0.0000 0.0000 2721.1367 6199.3988 300.5571 3478.2620 6233.2807 302.4887 LDB: ============= START OF LOAD BALANCING ============== 8312.06 LDB: ============== END OF LOAD BALANCING =============== 8312.06 LDB: =============== DONE WITH MIGRATION ================ 8312.06 LDB: ============= START OF LOAD BALANCING ============== 8312.5 LDB: ============== END OF LOAD BALANCING =============== 8312.5 LDB: =============== DONE WITH MIGRATION ================ 8312.5 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: 8310.19, 0.00440357/step Wall: 8310.19, 0.00440357/step, 0.527939 hours remaining, 115.578125 MB of memory in use. ENERGY: 2068400 676.5520 1842.0260 1976.5101 110.1041 0.4454 -1086.6267 0.0000 0.0000 2666.1938 6185.2047 294.4885 3519.0109 6218.9744 300.9032 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: 8311.07, 0.00438599/step Wall: 8311.07, 0.00438599/step, 0.525588 hours remaining, 115.578125 MB of memory in use. ENERGY: 2068600 663.5160 1889.2819 1960.7981 100.4416 0.5970 -1099.3834 0.0000 0.0000 2749.7657 6265.0169 303.7193 3515.2512 6299.4302 301.8687 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: 8311.92, 0.00428057/step Wall: 8311.92, 0.00428057/step, 0.512718 hours remaining, 115.578125 MB of memory in use. ENERGY: 2068800 674.3898 1837.6519 1970.0077 106.1974 0.5453 -1080.8464 0.0000 0.0000 2738.7835 6246.7291 302.5063 3507.9457 6282.8838 302.9988 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: 8312.79, 0.00434455/step Wall: 8312.79, 0.00434455/step, 0.520139 hours remaining, 115.578125 MB of memory in use. ENERGY: 2069000 650.8290 1835.3071 1981.0154 111.9160 0.2860 -1115.8898 0.0000 0.0000 2780.7980 6244.2615 307.1469 3463.4636 6279.5890 303.5904 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: 8313.66, 0.00434816/step Wall: 8313.66, 0.00434816/step, 0.52033 hours remaining, 115.582031 MB of memory in use. ENERGY: 2069200 664.7765 1793.6845 1976.2578 104.7311 1.0330 -1082.5662 0.0000 0.0000 2795.8544 6253.7710 308.8099 3457.9166 6287.1100 303.2877 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: 8314.53, 0.00434893/step Wall: 8314.53, 0.00434893/step, 0.520181 hours remaining, 115.582031 MB of memory in use. ENERGY: 2069400 677.6404 1883.5150 1944.4897 97.7701 0.5218 -1082.2580 0.0000 0.0000 2660.8117 6182.4907 293.8941 3521.6790 6212.9590 302.4471 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: 8315.4, 0.00433781/step Wall: 8315.4, 0.00433781/step, 0.518609 hours remaining, 115.582031 MB of memory in use. ENERGY: 2069600 648.1967 1834.7225 1987.6116 107.8081 0.3424 -1132.1972 0.0000 0.0000 2767.2436 6213.7278 305.6498 3446.4841 6246.5916 301.4231 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: 8316.29, 0.00442821/step Wall: 8316.29, 0.00442821/step, 0.529171 hours remaining, 115.582031 MB of memory in use. ENERGY: 2069800 643.5929 1851.2659 1972.9105 106.7091 2.2821 -1074.1365 0.0000 0.0000 2695.5678 6198.1919 297.7330 3502.6240 6230.6061 302.1019 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: 8317.16, 0.00436506/step Wall: 8317.16, 0.00436506/step, 0.521382 hours remaining, 115.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2070000 649.6915 1841.3276 1974.0506 105.6351 1.6231 -1044.6528 0.0000 0.0000 2702.6039 6230.2790 298.5101 3527.6751 6261.6791 301.8185 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2070000 WRITING COORDINATES TO DCD FILE MD.1.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: 8318.1, 0.00469414/step Wall: 8318.1, 0.00469414/step, 0.560428 hours remaining, 115.683594 MB of memory in use. ENERGY: 2070200 648.8955 1780.0584 1984.1827 120.8924 -0.8404 -1052.4469 0.0000 0.0000 2750.0232 6230.7650 303.7477 3480.7417 6265.6228 301.2114 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: 8318.98, 0.0044127/step Wall: 8318.98, 0.0044127/step, 0.526582 hours remaining, 115.683594 MB of memory in use. ENERGY: 2070400 668.0617 1815.0443 1979.2563 99.9719 -1.1341 -1056.8062 0.0000 0.0000 2743.8196 6248.2134 303.0625 3504.3938 6281.3827 301.3963 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: 8319.86, 0.00437931/step Wall: 8319.86, 0.00437931/step, 0.522354 hours remaining, 115.683594 MB of memory in use. ENERGY: 2070600 701.6584 1862.7706 1992.4110 117.4785 -0.9044 -1117.3699 0.0000 0.0000 2733.3353 6289.3795 301.9045 3556.0442 6324.4801 304.1186 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: 8320.73, 0.00437201/step Wall: 8320.73, 0.00437201/step, 0.52124 hours remaining, 115.683594 MB of memory in use. ENERGY: 2070800 662.7985 1829.1979 1956.0421 111.8652 0.1645 -1069.1628 0.0000 0.0000 2789.7563 6280.6617 308.1364 3490.9054 6315.8762 303.5516 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: 8321.62, 0.00443441/step Wall: 8321.62, 0.00443441/step, 0.528434 hours remaining, 115.683594 MB of memory in use. ENERGY: 2071000 640.6071 1844.4477 1965.4526 102.6708 0.7078 -1024.0833 0.0000 0.0000 2718.9967 6248.7994 300.3208 3529.8027 6282.1019 302.6643 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: 8322.51, 0.0044732/step Wall: 8322.51, 0.0044732/step, 0.532808 hours remaining, 115.683594 MB of memory in use. ENERGY: 2071200 668.1599 1822.9715 1966.2024 125.0392 0.6871 -1081.0171 0.0000 0.0000 2753.5790 6255.6220 304.1405 3502.0430 6290.5553 303.0592 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: 8323.4, 0.00443099/step Wall: 8323.4, 0.00443099/step, 0.527535 hours remaining, 115.683594 MB of memory in use. ENERGY: 2071400 647.1647 1775.9720 1965.4794 113.0359 2.3417 -1042.1711 0.0000 0.0000 2802.4548 6264.2773 309.5389 3461.8225 6301.3700 302.7764 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: 8324.26, 0.00430344/step Wall: 8324.26, 0.00430344/step, 0.512109 hours remaining, 115.683594 MB of memory in use. ENERGY: 2071600 671.5566 1844.2234 1937.3942 112.4413 0.0774 -1078.0165 0.0000 0.0000 2717.6443 6205.3207 300.1714 3487.6764 6238.7363 302.0271 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: 8325.11, 0.00425972/step Wall: 8325.11, 0.00425972/step, 0.506669 hours remaining, 115.683594 MB of memory in use. ENERGY: 2071800 656.9784 1823.9985 1953.2305 114.5925 -0.0868 -1060.1241 0.0000 0.0000 2742.6992 6231.2882 302.9388 3488.5890 6264.1124 301.1032 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: 8326, 0.00443299/step Wall: 8326, 0.00443298/step, 0.527033 hours remaining, 115.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2072000 680.8362 1830.8772 1940.1418 118.4132 1.2569 -1060.2552 0.0000 0.0000 2691.7315 6203.0014 297.3092 3511.2699 6233.3033 299.7299 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: 8326.86, 0.00433193/step Wall: 8326.86, 0.00433194/step, 0.514778 hours remaining, 115.683594 MB of memory in use. ENERGY: 2072200 647.3697 1825.1001 1964.2075 107.1813 0.7075 -1039.3943 0.0000 0.0000 2695.0237 6200.1955 297.6729 3505.1718 6230.9405 300.2508 LDB: ============= START OF LOAD BALANCING ============== 8329.61 LDB: ============== END OF LOAD BALANCING =============== 8329.61 LDB: =============== DONE WITH MIGRATION ================ 8329.61 LDB: ============= START OF LOAD BALANCING ============== 8330.06 LDB: ============== END OF LOAD BALANCING =============== 8330.06 LDB: =============== DONE WITH MIGRATION ================ 8330.06 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: 8327.75, 0.00441072/step Wall: 8327.75, 0.00441072/step, 0.523896 hours remaining, 115.683594 MB of memory in use. ENERGY: 2072400 658.7632 1870.3426 1945.2697 109.0063 0.8554 -1076.8402 0.0000 0.0000 2707.4345 6214.8315 299.0437 3507.3970 6250.5140 301.1706 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: 8328.63, 0.00441745/step Wall: 8328.63, 0.00441745/step, 0.52445 hours remaining, 115.683594 MB of memory in use. ENERGY: 2072600 664.0733 1887.2280 1946.9408 105.6490 1.5474 -1053.9077 0.0000 0.0000 2659.1703 6210.7010 293.7128 3551.5307 6241.1236 300.5327 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: 8329.51, 0.00441212/step Wall: 8329.51, 0.00441212/step, 0.523572 hours remaining, 115.683594 MB of memory in use. ENERGY: 2072800 651.6797 1884.7941 1956.1617 108.3284 0.6719 -1059.0394 0.0000 0.0000 2714.5617 6257.1581 299.8309 3542.5964 6291.6222 299.7638 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: 8330.39, 0.00441462/step Wall: 8330.39, 0.00441462/step, 0.523623 hours remaining, 115.683594 MB of memory in use. ENERGY: 2073000 650.8087 1862.7007 1944.2307 98.4305 0.0030 -1032.7237 0.0000 0.0000 2746.1492 6269.5991 303.3198 3523.4499 6303.6396 301.4365 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: 8331.26, 0.00433878/step Wall: 8331.26, 0.00433878/step, 0.514386 hours remaining, 115.683594 MB of memory in use. ENERGY: 2073200 658.4237 1927.3586 1948.3974 106.1948 -0.2960 -1065.8845 0.0000 0.0000 2732.0383 6306.2323 301.7612 3574.1940 6335.1648 302.0899 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: 8332.12, 0.00428919/step Wall: 8332.12, 0.00428919/step, 0.508269 hours remaining, 115.683594 MB of memory in use. ENERGY: 2073400 633.0072 1875.5816 1950.9151 104.2090 0.6623 -1074.0990 0.0000 0.0000 2812.8134 6303.0896 310.6831 3490.2762 6336.7808 305.1569 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: 8333, 0.00440043/step Wall: 8333, 0.00440043/step, 0.521207 hours remaining, 115.683594 MB of memory in use. ENERGY: 2073600 640.8862 1839.3615 1961.2649 102.4462 0.7863 -1079.8684 0.0000 0.0000 2767.8558 6232.7325 305.7174 3464.8768 6268.3399 303.7022 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: 8333.88, 0.00441825/step Wall: 8333.88, 0.00441825/step, 0.523071 hours remaining, 115.683594 MB of memory in use. ENERGY: 2073800 661.2428 1852.5205 1917.0652 118.2871 0.9438 -1087.9184 0.0000 0.0000 2740.1420 6202.2829 302.6563 3462.1409 6235.3812 300.9807 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: 8334.77, 0.00442305/step Wall: 8334.77, 0.00442304/step, 0.523394 hours remaining, 115.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2074000 654.1843 1863.7145 1942.5903 105.9627 0.2173 -1060.7090 0.0000 0.0000 2689.4392 6195.3993 297.0560 3505.9602 6231.1050 300.2670 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: 8335.63, 0.00430778/step Wall: 8335.63, 0.00430779/step, 0.509515 hours remaining, 115.683594 MB of memory in use. ENERGY: 2074200 633.9459 1864.6112 1933.4999 108.0412 0.5098 -1072.5936 0.0000 0.0000 2714.0065 6182.0207 299.7696 3468.0142 6215.2871 299.1568 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: 8336.5, 0.00433597/step Wall: 8336.5, 0.00433596/step, 0.512607 hours remaining, 115.683594 MB of memory in use. ENERGY: 2074400 677.4904 1815.2409 1991.6295 121.3494 0.0043 -1116.2369 0.0000 0.0000 2708.4174 6197.8950 299.1522 3489.4776 6232.3326 299.4339 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: 8337.36, 0.0043168/step Wall: 8337.36, 0.00431681/step, 0.510103 hours remaining, 115.683594 MB of memory in use. ENERGY: 2074600 630.6308 1874.8955 1960.1169 108.8302 0.9542 -1107.3496 0.0000 0.0000 2703.9836 6172.0616 298.6625 3468.0780 6204.1227 296.8836 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: 8338.24, 0.00438181/step Wall: 8338.24, 0.00438181/step, 0.51754 hours remaining, 115.683594 MB of memory in use. ENERGY: 2074800 665.4707 1839.9108 1961.5081 116.9947 0.0067 -1098.0067 0.0000 0.0000 2689.7694 6175.6537 297.0925 3485.8843 6207.7564 298.7807 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: 8339.13, 0.00444783/step Wall: 8339.13, 0.00444783/step, 0.525091 hours remaining, 115.683594 MB of memory in use. ENERGY: 2075000 661.8558 1860.5385 1987.0507 92.7927 0.0220 -1108.3228 0.0000 0.0000 2702.6332 6196.5701 298.5134 3493.9369 6227.4784 299.6173 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: 8340.01, 0.00439976/step Wall: 8340.01, 0.00439976/step, 0.519171 hours remaining, 115.683594 MB of memory in use. ENERGY: 2075200 645.7757 1849.6667 1980.4068 105.4414 -0.6218 -1088.1079 0.0000 0.0000 2691.3227 6183.8835 297.2641 3492.5608 6217.6516 300.1471 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: 8340.86, 0.00428253/step Wall: 8340.86, 0.00428253/step, 0.505101 hours remaining, 115.683594 MB of memory in use. ENERGY: 2075400 654.5481 1893.3182 1955.8361 95.9306 1.1040 -1113.5514 0.0000 0.0000 2677.5352 6164.7208 295.7412 3487.1856 6196.4331 297.8277 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: 8341.73, 0.00431512/step Wall: 8341.73, 0.00431512/step, 0.508704 hours remaining, 115.683594 MB of memory in use. ENERGY: 2075600 664.6844 1828.5415 1961.2713 103.7895 -0.1005 -1128.4165 0.0000 0.0000 2703.7246 6133.4944 298.6339 3429.7697 6166.8744 297.3175 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: 8342.59, 0.00429519/step Wall: 8342.59, 0.00429519/step, 0.506117 hours remaining, 115.683594 MB of memory in use. ENERGY: 2075800 661.2728 1840.9951 1958.2730 106.3085 -0.0494 -1135.2240 0.0000 0.0000 2674.0429 6105.6188 295.3555 3431.5759 6138.6109 295.1917 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: 8343.44, 0.00426218/step Wall: 8343.44, 0.00426218/step, 0.50199 hours remaining, 115.683594 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2076000 651.4575 1826.2156 1961.7465 120.3711 -0.3507 -1090.5022 0.0000 0.0000 2677.3333 6146.2712 295.7189 3468.9379 6177.4558 294.8625 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: 8344.29, 0.00427225/step Wall: 8344.29, 0.00427225/step, 0.502939 hours remaining, 115.683594 MB of memory in use. ENERGY: 2076200 665.1888 1793.3232 1920.5757 103.1282 0.3822 -1062.2335 0.0000 0.0000 2688.8546 6109.2192 296.9915 3420.3646 6141.4968 296.1997 LDB: ============= START OF LOAD BALANCING ============== 8347.03 LDB: ============== END OF LOAD BALANCING =============== 8347.03 LDB: =============== DONE WITH MIGRATION ================ 8347.03 LDB: ============= START OF LOAD BALANCING ============== 8347.46 LDB: ============== END OF LOAD BALANCING =============== 8347.46 LDB: =============== DONE WITH MIGRATION ================ 8347.46 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: 8345.15, 0.00428437/step Wall: 8345.15, 0.00428437/step, 0.504128 hours remaining, 115.683594 MB of memory in use. ENERGY: 2076400 655.4651 1813.2878 1904.5739 100.6325 -0.1639 -1055.2838 0.0000 0.0000 2737.6286 6156.1403 302.3787 3418.5116 6189.0050 296.8512 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: 8346.02, 0.00434554/step Wall: 8346.02, 0.00434554/step, 0.511083 hours remaining, 115.683594 MB of memory in use. ENERGY: 2076600 684.5164 1836.4003 1953.8208 119.3642 0.3032 -1070.1441 0.0000 0.0000 2672.3896 6196.6505 295.1729 3524.2609 6226.3053 298.2795 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: 8346.9, 0.0043875/step Wall: 8346.9, 0.0043875/step, 0.515775 hours remaining, 115.687500 MB of memory in use. ENERGY: 2076800 677.3821 1839.9649 1961.2067 119.3861 0.2143 -1079.9780 0.0000 0.0000 2738.1033 6256.2795 302.4311 3518.1761 6290.2014 300.3923 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: 8347.77, 0.00435928/step Wall: 8347.77, 0.00435928/step, 0.512216 hours remaining, 115.687500 MB of memory in use. ENERGY: 2077000 673.5511 1882.2946 1932.6297 107.0881 1.1404 -1086.3979 0.0000 0.0000 2719.4309 6229.7368 300.3687 3510.3059 6261.8613 300.4154 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: 8348.63, 0.00432023/step Wall: 8348.63, 0.00432023/step, 0.507387 hours remaining, 115.687500 MB of memory in use. ENERGY: 2077200 651.8658 1835.5276 1962.9373 115.3478 0.8727 -1042.9240 0.0000 0.0000 2715.0504 6238.6778 299.8849 3523.6274 6271.4948 301.0303 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: 8349.5, 0.00434782/step Wall: 8349.5, 0.00434782/step, 0.510386 hours remaining, 115.687500 MB of memory in use. ENERGY: 2077400 663.9175 1875.8231 1976.2735 110.3659 0.3323 -1095.5044 0.0000 0.0000 2728.6944 6259.9023 301.3919 3531.2079 6293.4510 301.0616 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: 8350.39, 0.00445207/step Wall: 8350.39, 0.00445207/step, 0.522376 hours remaining, 115.691406 MB of memory in use. ENERGY: 2077600 628.1404 1829.7295 1948.7079 114.5698 0.9516 -1058.8906 0.0000 0.0000 2778.6729 6241.8817 306.9122 3463.2087 6276.8198 302.6996 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: 8351.28, 0.00446566/step Wall: 8351.28, 0.00446566/step, 0.523723 hours remaining, 115.695312 MB of memory in use. ENERGY: 2077800 656.8557 1825.5209 1954.8260 101.1334 1.8420 -1051.0330 0.0000 0.0000 2729.0646 6218.2096 301.4328 3489.1451 6250.0899 301.2006 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: 8352.17, 0.00443244/step Wall: 8352.17, 0.00443244/step, 0.519581 hours remaining, 115.699219 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2078000 657.2957 1893.5845 1907.7116 103.7906 1.5353 -1055.3949 0.0000 0.0000 2717.9555 6226.4782 300.2058 3508.5227 6258.5548 300.4064 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: 8353.06, 0.0044623/step Wall: 8353.06, 0.0044623/step, 0.522832 hours remaining, 115.703125 MB of memory in use. ENERGY: 2078200 631.6451 1821.6378 1917.5062 123.6305 1.8996 -1030.3600 0.0000 0.0000 2819.3489 6285.3080 311.4049 3465.9591 6320.6343 303.9269 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: 8353.97, 0.00455535/step Wall: 8353.97, 0.00455535/step, 0.533482 hours remaining, 115.703125 MB of memory in use. ENERGY: 2078400 642.4617 1853.3980 1935.1444 111.0607 1.0289 -1044.9737 0.0000 0.0000 2760.4535 6258.5736 304.8998 3498.1200 6293.4908 302.0251 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: 8354.88, 0.00451688/step Wall: 8354.88, 0.00451688/step, 0.528725 hours remaining, 115.703125 MB of memory in use. ENERGY: 2078600 650.3239 1902.2315 1955.4087 112.3141 1.9379 -1063.3035 0.0000 0.0000 2723.3035 6282.2161 300.7965 3558.9125 6315.8648 303.2065 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: 8355.78, 0.00452373/step Wall: 8355.78, 0.00452373/step, 0.529276 hours remaining, 115.707031 MB of memory in use. ENERGY: 2078800 648.5138 1838.0133 1967.8543 111.5964 1.5733 -1078.8113 0.0000 0.0000 2751.3856 6240.1255 303.8982 3488.7399 6273.7721 302.2677 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: 8356.67, 0.00444067/step Wall: 8356.67, 0.00444067/step, 0.519311 hours remaining, 115.707031 MB of memory in use. ENERGY: 2079000 641.2162 1836.1236 1951.6108 111.6074 1.0367 -1091.1965 0.0000 0.0000 2770.2200 6220.6183 305.9785 3450.3983 6255.0447 301.5255 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: 8357.56, 0.00445075/step Wall: 8357.56, 0.00445075/step, 0.520243 hours remaining, 115.707031 MB of memory in use. ENERGY: 2079200 697.1642 1884.7850 1958.6131 94.2071 1.4064 -1094.0891 0.0000 0.0000 2679.2437 6221.3304 295.9299 3542.0867 6254.5608 301.1719 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: 8358.48, 0.00459111/step Wall: 8358.48, 0.00459111/step, 0.536395 hours remaining, 115.714844 MB of memory in use. ENERGY: 2079400 643.6663 1855.4650 1980.2487 101.9240 1.9275 -1053.7839 0.0000 0.0000 2693.1698 6222.6172 297.4681 3529.4474 6256.7986 299.2205 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: 8359.39, 0.00454992/step Wall: 8359.39, 0.00454992/step, 0.53133 hours remaining, 115.714844 MB of memory in use. ENERGY: 2079600 640.3075 1852.1415 1943.3937 113.0971 2.0268 -1034.4206 0.0000 0.0000 2724.8119 6241.3580 300.9631 3516.5461 6270.9983 300.7985 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: 8360.3, 0.00455731/step Wall: 8360.3, 0.00455731/step, 0.531939 hours remaining, 115.714844 MB of memory in use. ENERGY: 2079800 650.0862 1892.6056 1960.7297 107.6269 2.1398 -1085.3320 0.0000 0.0000 2657.4105 6185.2668 293.5184 3527.8563 6212.6838 298.9958 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: 8361.2, 0.0045131/step Wall: 8361.2, 0.0045131/step, 0.526528 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2080000 688.6922 1817.6384 1955.9549 110.4795 1.4853 -1071.5387 0.0000 0.0000 2705.1202 6207.8318 298.7881 3502.7115 6238.7606 298.4343 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2080000 WRITING COORDINATES TO DCD FILE MD.1.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: 8362.2, 0.00496721/step Wall: 8362.2, 0.00496721/step, 0.579232 hours remaining, 115.753906 MB of memory in use. ENERGY: 2080200 645.6491 1888.0407 1955.8938 109.0306 1.7404 -1088.0694 0.0000 0.0000 2682.4871 6194.7724 296.2882 3512.2853 6226.7612 299.5459 LDB: ============= START OF LOAD BALANCING ============== 8364.97 LDB: ============== END OF LOAD BALANCING =============== 8364.97 LDB: =============== DONE WITH MIGRATION ================ 8364.97 LDB: ============= START OF LOAD BALANCING ============== 8365.43 LDB: ============== END OF LOAD BALANCING =============== 8365.43 LDB: =============== DONE WITH MIGRATION ================ 8365.43 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: 8363.12, 0.00460649/step Wall: 8363.12, 0.00460649/step, 0.536913 hours remaining, 115.753906 MB of memory in use. ENERGY: 2080400 635.4704 1833.8112 1938.7633 107.8112 1.0110 -1061.2366 0.0000 0.0000 2730.3935 6186.0241 301.5796 3455.6306 6221.8124 297.6939 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: 8364.03, 0.00458302/step Wall: 8364.03, 0.00458302/step, 0.533922 hours remaining, 115.753906 MB of memory in use. ENERGY: 2080600 633.6573 1870.9520 1934.7822 101.9609 1.0282 -1082.2567 0.0000 0.0000 2757.1096 6217.2336 304.5304 3460.1240 6250.5968 298.0226 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: 8364.95, 0.00457543/step Wall: 8364.95, 0.00457543/step, 0.532783 hours remaining, 115.753906 MB of memory in use. ENERGY: 2080800 637.8362 1842.2429 1992.2252 103.2086 0.4476 -1045.3312 0.0000 0.0000 2702.9707 6233.5999 298.5506 3530.6293 6265.2007 299.8777 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: 8365.85, 0.00447649/step Wall: 8365.85, 0.00447649/step, 0.521014 hours remaining, 115.753906 MB of memory in use. ENERGY: 2081000 661.1377 1857.2355 1960.1125 121.8469 -0.1634 -1036.6377 0.0000 0.0000 2702.8984 6266.4299 298.5427 3563.5314 6299.0251 299.3381 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: 8366.73, 0.00444176/step Wall: 8366.73, 0.00444176/step, 0.516725 hours remaining, 115.753906 MB of memory in use. ENERGY: 2081200 672.8854 1829.1436 1982.4451 109.4197 1.7884 -1070.8410 0.0000 0.0000 2752.0436 6276.8849 303.9709 3524.8413 6311.9229 302.5997 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: 8367.6, 0.00433591/step Wall: 8367.6, 0.00433591/step, 0.50417 hours remaining, 115.753906 MB of memory in use. ENERGY: 2081400 646.3908 1873.8328 1979.5073 100.1215 2.0301 -1074.5125 0.0000 0.0000 2774.4967 6301.8667 306.4509 3527.3700 6335.6357 303.1158 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: 8368.48, 0.00437777/step Wall: 8368.48, 0.00437777/step, 0.508794 hours remaining, 115.753906 MB of memory in use. ENERGY: 2081600 685.7213 1884.6504 1969.1861 110.5704 0.6542 -1075.8447 0.0000 0.0000 2711.0967 6286.0344 299.4482 3574.9377 6320.0733 304.0992 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: 8369.36, 0.00444037/step Wall: 8369.36, 0.00444037/step, 0.515823 hours remaining, 115.753906 MB of memory in use. ENERGY: 2081800 661.8566 1877.4254 1962.2226 105.1175 1.4606 -1069.5253 0.0000 0.0000 2762.1698 6300.7272 305.0894 3538.5574 6334.8815 302.6041 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: 8370.25, 0.00443534/step Wall: 8370.25, 0.00443534/step, 0.514992 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2082000 680.1797 1850.9801 1977.4869 109.1815 1.2393 -1086.5318 0.0000 0.0000 2747.3363 6279.8720 303.4509 3532.5357 6313.5786 303.5409 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: 8371.13, 0.00440928/step Wall: 8371.13, 0.00440928/step, 0.511721 hours remaining, 115.753906 MB of memory in use. ENERGY: 2082200 640.3044 1823.5134 1998.6107 116.8032 2.0122 -1052.3391 0.0000 0.0000 2711.1042 6240.0089 299.4490 3528.9047 6276.3107 301.2612 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: 8371.99, 0.00427502/step Wall: 8371.99, 0.00427502/step, 0.495902 hours remaining, 115.753906 MB of memory in use. ENERGY: 2082400 668.5567 1839.8427 1949.0730 108.0393 2.5711 -1056.5516 0.0000 0.0000 2710.2333 6221.7645 299.3528 3511.5312 6258.4444 301.7590 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: 8372.82, 0.00417051/step Wall: 8372.82, 0.00417051/step, 0.483547 hours remaining, 115.753906 MB of memory in use. ENERGY: 2082600 619.3684 1878.4888 1954.1732 118.7038 2.3409 -1028.8736 0.0000 0.0000 2653.3790 6197.5805 293.0731 3544.2014 6227.1825 299.1606 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: 8373.66, 0.00420213/step Wall: 8373.66, 0.00420213/step, 0.48698 hours remaining, 115.753906 MB of memory in use. ENERGY: 2082800 676.2764 1821.8482 1959.5143 119.6196 1.8628 -1074.3676 0.0000 0.0000 2694.9892 6199.7428 297.6691 3504.7536 6232.6758 298.7194 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: 8374.48, 0.00408824/step Wall: 8374.48, 0.00408824/step, 0.473554 hours remaining, 115.753906 MB of memory in use. ENERGY: 2083000 667.5538 1922.1631 1951.5074 108.3658 1.1888 -1096.4237 0.0000 0.0000 2744.3147 6298.6699 303.1172 3554.3552 6331.7545 303.0666 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: 8375.28, 0.00401716/step Wall: 8375.28, 0.00401716/step, 0.465097 hours remaining, 115.753906 MB of memory in use. ENERGY: 2083200 697.7840 1845.8118 1957.3874 103.6203 0.9584 -1060.4018 0.0000 0.0000 2690.5176 6235.6778 297.1752 3545.1601 6268.0528 303.9782 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: 8376.07, 0.00393456/step Wall: 8376.07, 0.00393456/step, 0.455316 hours remaining, 115.753906 MB of memory in use. ENERGY: 2083400 665.1058 1830.5688 1926.4693 103.2571 0.4424 -1038.1547 0.0000 0.0000 2709.9262 6197.6149 299.3189 3487.6887 6232.9908 299.1286 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: 8376.88, 0.00404552/step Wall: 8376.88, 0.00404552/step, 0.467931 hours remaining, 115.753906 MB of memory in use. ENERGY: 2083600 616.3103 1811.9342 1980.2557 103.9067 0.4351 -1062.2270 0.0000 0.0000 2711.5387 6162.1538 299.4970 3450.6151 6194.3444 297.4135 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: 8377.67, 0.00396381/step Wall: 8377.67, 0.00396381/step, 0.458261 hours remaining, 115.753906 MB of memory in use. ENERGY: 2083800 628.2544 1852.0088 1990.5567 124.6879 1.4650 -1095.0022 0.0000 0.0000 2700.7465 6202.7172 298.3050 3501.9706 6236.0058 298.1037 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: 8378.49, 0.00406177/step Wall: 8378.49, 0.00406177/step, 0.46936 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2084000 652.9471 1898.9064 1968.1927 98.9538 0.6879 -1107.1198 0.0000 0.0000 2672.2170 6184.7852 295.1538 3512.5682 6216.5809 298.6581 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: 8379.3, 0.00405578/step Wall: 8379.3, 0.00405578/step, 0.468443 hours remaining, 115.753906 MB of memory in use. ENERGY: 2084200 624.5535 1824.7103 1950.6921 118.6670 0.3129 -1063.4295 0.0000 0.0000 2674.8414 6130.3478 295.4437 3455.5064 6166.7418 297.7464 LDB: ============= START OF LOAD BALANCING ============== 8382 LDB: ============== END OF LOAD BALANCING =============== 8382 LDB: =============== DONE WITH MIGRATION ================ 8382 LDB: ============= START OF LOAD BALANCING ============== 8382.39 LDB: ============== END OF LOAD BALANCING =============== 8382.39 LDB: =============== DONE WITH MIGRATION ================ 8382.39 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: 8380.08, 0.0039193/step Wall: 8380.08, 0.0039193/step, 0.452461 hours remaining, 115.753906 MB of memory in use. ENERGY: 2084400 626.1031 1880.9005 1917.4791 104.0916 1.1832 -1079.5090 0.0000 0.0000 2736.7293 6186.9778 302.2794 3450.2485 6223.4093 296.3054 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: 8380.86, 0.00390918/step Wall: 8380.86, 0.00390918/step, 0.451075 hours remaining, 115.753906 MB of memory in use. ENERGY: 2084600 653.3395 1843.1883 1959.8514 120.7630 1.1663 -1092.1485 0.0000 0.0000 2679.2815 6165.4415 295.9341 3486.1600 6196.7969 298.1356 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: 8381.64, 0.00391214/step Wall: 8381.64, 0.00391214/step, 0.451201 hours remaining, 115.753906 MB of memory in use. ENERGY: 2084800 631.9753 1839.1672 1970.0645 109.9836 2.3153 -1103.0071 0.0000 0.0000 2745.7906 6196.2895 303.2802 3450.4989 6233.1007 298.5882 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: 8382.43, 0.00391405/step Wall: 8382.43, 0.00391405/step, 0.451203 hours remaining, 115.753906 MB of memory in use. ENERGY: 2085000 670.8578 1816.0242 1967.6958 125.1760 1.8495 -1096.0826 0.0000 0.0000 2701.5712 6187.0919 298.3961 3485.5207 6220.0595 300.5986 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: 8383.21, 0.00391677/step Wall: 8383.21, 0.00391677/step, 0.4513 hours remaining, 115.753906 MB of memory in use. ENERGY: 2085200 660.5009 1793.6313 1972.4887 113.9126 0.6841 -1068.6038 0.0000 0.0000 2722.2729 6194.8867 300.6826 3472.6137 6226.5175 299.7689 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: 8383.99, 0.00391103/step Wall: 8383.99, 0.00391103/step, 0.45042 hours remaining, 115.753906 MB of memory in use. ENERGY: 2085400 632.4036 1826.4743 1980.4556 111.1284 0.6507 -1096.4796 0.0000 0.0000 2696.0002 6150.6333 297.7807 3454.6331 6183.2862 297.8670 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: 8384.78, 0.0039125/step Wall: 8384.78, 0.0039125/step, 0.450373 hours remaining, 115.753906 MB of memory in use. ENERGY: 2085600 641.5857 1820.2359 1982.1395 115.3369 0.6879 -1083.9018 0.0000 0.0000 2664.8145 6140.8984 294.3362 3476.0840 6174.9787 294.9604 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: 8385.56, 0.00391271/step Wall: 8385.56, 0.00391271/step, 0.450179 hours remaining, 115.753906 MB of memory in use. ENERGY: 2085800 692.5025 1823.4946 1952.4151 104.4733 0.7524 -1063.3746 0.0000 0.0000 2637.6069 6147.8702 291.3310 3510.2633 6181.2133 294.5619 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: 8386.34, 0.00391491/step Wall: 8386.34, 0.00391491/step, 0.450215 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2086000 652.1723 1866.3018 1927.5160 103.4757 0.9849 -1066.3184 0.0000 0.0000 2682.1135 6166.2458 296.2469 3484.1323 6199.5475 295.8771 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: 8387.12, 0.00391501/step Wall: 8387.12, 0.00391501/step, 0.450008 hours remaining, 115.753906 MB of memory in use. ENERGY: 2086200 675.9119 1814.7537 1950.2734 97.9648 0.0639 -1070.0928 0.0000 0.0000 2708.8649 6177.7397 299.2017 3468.8748 6211.6404 296.5128 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: 8387.91, 0.00391197/step Wall: 8387.91, 0.00391197/step, 0.449442 hours remaining, 115.753906 MB of memory in use. ENERGY: 2086400 670.7423 1826.6072 1933.1601 115.1459 -0.3870 -1085.4047 0.0000 0.0000 2688.7950 6148.6587 296.9849 3459.8637 6184.1143 297.5728 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: 8388.69, 0.00391502/step Wall: 8388.69, 0.00391502/step, 0.449575 hours remaining, 115.753906 MB of memory in use. ENERGY: 2086600 640.6314 1816.8447 1967.1515 109.0984 0.0728 -1093.2595 0.0000 0.0000 2650.3078 6090.8471 292.7339 3440.5393 6122.2376 295.4017 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: 8389.47, 0.00391266/step Wall: 8389.47, 0.00391266/step, 0.449086 hours remaining, 115.753906 MB of memory in use. ENERGY: 2086800 693.0940 1799.1020 1927.3099 109.8618 0.2265 -1077.4669 0.0000 0.0000 2716.1075 6168.2347 300.0016 3452.1272 6202.5787 295.4595 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: 8390.25, 0.00391494/step Wall: 8390.25, 0.00391494/step, 0.449131 hours remaining, 115.753906 MB of memory in use. ENERGY: 2087000 665.0537 1803.5856 1929.1747 115.3550 0.0650 -1039.4138 0.0000 0.0000 2711.1413 6184.9615 299.4531 3473.8202 6216.9803 298.3649 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: 8391.04, 0.00391591/step Wall: 8391.04, 0.00391591/step, 0.449024 hours remaining, 115.753906 MB of memory in use. ENERGY: 2087200 649.9745 1854.7312 1935.3265 96.3513 0.1849 -1057.6508 0.0000 0.0000 2687.4871 6166.4048 296.8404 3478.9176 6199.6759 296.7686 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: 8391.82, 0.00390997/step Wall: 8391.82, 0.00390997/step, 0.448126 hours remaining, 115.753906 MB of memory in use. ENERGY: 2087400 663.3243 1845.5770 1940.9853 99.4182 -0.0453 -1080.7654 0.0000 0.0000 2659.9446 6128.4387 293.7983 3468.4941 6158.3290 296.1854 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: 8392.6, 0.00391564/step Wall: 8392.6, 0.00391564/step, 0.448559 hours remaining, 115.753906 MB of memory in use. ENERGY: 2087600 636.1209 1822.5121 1962.2397 109.2186 -1.2375 -1096.1616 0.0000 0.0000 2687.0959 6119.7881 296.7972 3432.6922 6152.5693 295.8807 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: 8393.39, 0.00391669/step Wall: 8393.39, 0.00391669/step, 0.44846 hours remaining, 115.753906 MB of memory in use. ENERGY: 2087800 658.0971 1824.9513 1970.4582 119.1516 0.9148 -1070.0558 0.0000 0.0000 2658.8906 6162.4078 293.6819 3503.5172 6194.7225 296.8850 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: 8394.17, 0.00391569/step Wall: 8394.17, 0.00391569/step, 0.448128 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2088000 650.3636 1838.8100 1953.1473 103.1028 1.6348 -1072.2099 0.0000 0.0000 2673.9704 6148.8189 295.3475 3474.8485 6182.8555 296.6920 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: 8394.95, 0.00391073/step Wall: 8394.95, 0.00391073/step, 0.447344 hours remaining, 115.753906 MB of memory in use. ENERGY: 2088200 612.4082 1817.1593 1975.2828 109.9691 0.9778 -1092.3533 0.0000 0.0000 2708.7632 6132.2071 299.1904 3423.4439 6166.6958 295.6386 LDB: ============= START OF LOAD BALANCING ============== 8397.65 LDB: ============== END OF LOAD BALANCING =============== 8397.65 LDB: =============== DONE WITH MIGRATION ================ 8397.65 LDB: ============= START OF LOAD BALANCING ============== 8398.04 LDB: ============== END OF LOAD BALANCING =============== 8398.04 LDB: =============== DONE WITH MIGRATION ================ 8398.04 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: 8395.74, 0.00391941/step Wall: 8395.74, 0.00391941/step, 0.448119 hours remaining, 115.753906 MB of memory in use. ENERGY: 2088400 615.0252 1850.9731 1972.4460 121.9981 0.3054 -1065.8841 0.0000 0.0000 2672.5849 6167.4486 295.1945 3494.8636 6199.5313 295.9624 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: 8396.52, 0.00391411/step Wall: 8396.52, 0.00391411/step, 0.447296 hours remaining, 115.753906 MB of memory in use. ENERGY: 2088600 627.9281 1854.0341 1958.6940 115.9809 1.1668 -1088.8631 0.0000 0.0000 2704.9985 6173.9393 298.7746 3468.9408 6208.6085 297.2511 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: 8397.3, 0.00391564/step Wall: 8397.3, 0.00391564/step, 0.447253 hours remaining, 115.753906 MB of memory in use. ENERGY: 2088800 656.4030 1838.5125 1972.9362 107.4371 -0.2417 -1062.2183 0.0000 0.0000 2695.5093 6208.3382 297.7265 3512.8289 6240.7700 299.4789 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: 8398.09, 0.00391947/step Wall: 8398.09, 0.00391947/step, 0.447473 hours remaining, 115.753906 MB of memory in use. ENERGY: 2089000 659.2823 1821.4091 1962.3566 115.6667 -0.0280 -1060.7993 0.0000 0.0000 2717.2359 6215.1233 300.1263 3497.8874 6247.5717 299.8169 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: 8398.87, 0.00391247/step Wall: 8398.87, 0.00391247/step, 0.446456 hours remaining, 115.753906 MB of memory in use. ENERGY: 2089200 651.4670 1874.5845 1954.8084 104.5112 0.3588 -1078.0376 0.0000 0.0000 2667.5349 6175.2272 294.6367 3507.6922 6206.7359 298.1387 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: 8399.65, 0.00391378/step Wall: 8399.65, 0.00391378/step, 0.446388 hours remaining, 115.753906 MB of memory in use. ENERGY: 2089400 681.2405 1837.6874 1960.9860 101.2818 0.0307 -1075.2914 0.0000 0.0000 2655.2844 6161.2194 293.2836 3505.9350 6193.7371 298.7971 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: 8400.43, 0.00391327/step Wall: 8400.43, 0.00391327/step, 0.446113 hours remaining, 115.753906 MB of memory in use. ENERGY: 2089600 700.5513 1828.2493 1921.7100 94.3233 0.0290 -1059.7274 0.0000 0.0000 2650.5284 6135.6638 292.7582 3485.1354 6166.8042 296.9846 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: 8401.22, 0.00391281/step Wall: 8401.22, 0.00391281/step, 0.445842 hours remaining, 115.753906 MB of memory in use. ENERGY: 2089800 645.3135 1775.7135 1948.8180 104.3391 1.1519 -1037.3415 0.0000 0.0000 2660.9364 6098.9310 293.9078 3437.9946 6133.8787 294.5198 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: 8402, 0.00391569/step Wall: 8402, 0.00391569/step, 0.445953 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2090000 649.9596 1897.6771 1943.9632 108.4631 0.3999 -1085.2287 0.0000 0.0000 2683.5481 6198.7823 296.4054 3515.2342 6229.9245 298.0851 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2090000 WRITING COORDINATES TO DCD FILE MD.1.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: 8402.82, 0.00411297/step Wall: 8402.82, 0.00411297/step, 0.468194 hours remaining, 115.753906 MB of memory in use. ENERGY: 2090200 694.6780 1886.2320 1923.1627 106.1173 0.5541 -1066.5602 0.0000 0.0000 2647.7225 6191.9064 292.4483 3544.1840 6224.9780 298.0067 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: 8403.61, 0.00392366/step Wall: 8403.61, 0.00392366/step, 0.446425 hours remaining, 115.753906 MB of memory in use. ENERGY: 2090400 676.7732 1863.8517 1935.0089 108.4219 -0.2255 -1130.1634 0.0000 0.0000 2716.3597 6170.0265 300.0295 3453.6669 6203.2085 299.6116 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: 8404.39, 0.00391526/step Wall: 8404.39, 0.00391526/step, 0.445252 hours remaining, 115.753906 MB of memory in use. ENERGY: 2090600 662.8543 1853.9478 1978.7122 108.9673 1.2217 -1095.2072 0.0000 0.0000 2680.7715 6191.2675 296.0987 3510.4961 6226.4633 299.9960 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: 8405.17, 0.0039126/step Wall: 8405.17, 0.0039126/step, 0.444732 hours remaining, 115.753906 MB of memory in use. ENERGY: 2090800 647.6349 1878.7288 1937.3494 106.3407 1.3005 -1077.0814 0.0000 0.0000 2718.0955 6212.3685 300.2212 3494.2730 6245.0418 299.6454 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: 8405.95, 0.00391078/step Wall: 8405.95, 0.00391078/step, 0.444309 hours remaining, 115.753906 MB of memory in use. ENERGY: 2091000 653.8925 1827.6764 1953.1124 114.4438 2.0242 -1042.4451 0.0000 0.0000 2748.5152 6257.2194 303.5812 3508.7042 6289.2288 301.0173 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: 8406.74, 0.00391363/step Wall: 8406.74, 0.00391363/step, 0.444414 hours remaining, 115.753906 MB of memory in use. ENERGY: 2091200 622.6566 1847.9260 1978.1422 121.4557 1.9681 -1074.3932 0.0000 0.0000 2707.4329 6205.1884 299.0435 3497.7555 6241.3604 300.5866 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: 8407.52, 0.00391378/step Wall: 8407.52, 0.00391378/step, 0.444214 hours remaining, 115.753906 MB of memory in use. ENERGY: 2091400 638.6992 1794.8213 1985.4865 106.1395 1.7041 -1077.8654 0.0000 0.0000 2699.8130 6148.7984 298.2019 3448.9853 6180.2100 299.0256 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: 8408.3, 0.00391415/step Wall: 8408.3, 0.00391415/step, 0.444038 hours remaining, 115.753906 MB of memory in use. ENERGY: 2091600 639.5587 1815.9467 1940.2774 108.9188 2.6899 -1099.5159 0.0000 0.0000 2736.7312 6144.6070 302.2796 3407.8757 6179.7033 297.3799 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: 8409.08, 0.00391239/step Wall: 8409.08, 0.00391239/step, 0.443621 hours remaining, 115.753906 MB of memory in use. ENERGY: 2091800 648.6244 1821.8905 1966.7701 112.6994 1.8628 -1080.3365 0.0000 0.0000 2734.7630 6206.2738 302.0622 3471.5107 6241.9431 298.3159 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: 8409.87, 0.00391837/step Wall: 8409.87, 0.00391837/step, 0.444082 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2092000 647.3907 1850.9440 1960.3808 116.5993 1.1935 -1097.7812 0.0000 0.0000 2725.3994 6204.1265 301.0280 3478.7272 6237.3889 300.4440 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: 8410.65, 0.00391528/step Wall: 8410.65, 0.00391528/step, 0.443514 hours remaining, 115.753906 MB of memory in use. ENERGY: 2092200 618.4751 1875.3293 1961.8268 114.4622 1.2044 -1064.6942 0.0000 0.0000 2658.5417 6165.1454 293.6433 3506.6037 6198.0892 298.1242 LDB: ============= START OF LOAD BALANCING ============== 8413.35 LDB: ============== END OF LOAD BALANCING =============== 8413.35 LDB: =============== DONE WITH MIGRATION ================ 8413.35 LDB: ============= START OF LOAD BALANCING ============== 8413.74 LDB: ============== END OF LOAD BALANCING =============== 8413.74 LDB: =============== DONE WITH MIGRATION ================ 8413.74 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: 8411.44, 0.00392048/step Wall: 8411.44, 0.00392048/step, 0.443885 hours remaining, 115.753906 MB of memory in use. ENERGY: 2092400 706.5870 1849.7987 1952.1565 112.2849 2.1651 -1119.4400 0.0000 0.0000 2681.2410 6184.7933 296.1505 3503.5523 6215.1004 297.0726 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: 8412.22, 0.00391176/step Wall: 8412.22, 0.00391176/step, 0.442681 hours remaining, 115.753906 MB of memory in use. ENERGY: 2092600 645.5722 1853.2007 1932.3541 114.0901 2.1959 -1072.7526 0.0000 0.0000 2693.0255 6167.6859 297.4522 3474.6604 6201.3937 298.4285 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: 8413, 0.00391081/step Wall: 8413, 0.0039108/step, 0.442355 hours remaining, 115.753906 MB of memory in use. ENERGY: 2092800 637.1766 1921.4595 1943.1488 103.6990 2.5030 -1098.1531 0.0000 0.0000 2667.1285 6176.9623 294.5918 3509.8339 6207.8741 297.0401 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: 8413.78, 0.00391354/step Wall: 8413.78, 0.00391355/step, 0.442448 hours remaining, 115.753906 MB of memory in use. ENERGY: 2093000 652.0806 1859.1149 1947.7131 115.0167 1.7630 -1092.2082 0.0000 0.0000 2752.6558 6236.1360 304.0385 3483.4802 6268.8394 299.3485 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: 8414.57, 0.00391451/step Wall: 8414.57, 0.00391451/step, 0.44234 hours remaining, 115.753906 MB of memory in use. ENERGY: 2093200 657.5267 1855.0366 1966.6270 112.5058 1.0605 -1088.7638 0.0000 0.0000 2739.9416 6243.9344 302.6342 3503.9927 6275.3532 300.8875 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: 8415.35, 0.00391233/step Wall: 8415.35, 0.00391233/step, 0.441876 hours remaining, 115.753906 MB of memory in use. ENERGY: 2093400 657.4325 1866.2791 1961.0106 104.6913 2.5763 -1092.3759 0.0000 0.0000 2763.3255 6262.9395 305.2170 3499.6140 6298.4372 303.8841 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: 8416.13, 0.00391169/step Wall: 8416.13, 0.00391169/step, 0.441586 hours remaining, 115.753906 MB of memory in use. ENERGY: 2093600 685.3646 1843.0494 1981.0952 105.0805 1.6716 -1101.8742 0.0000 0.0000 2787.2734 6301.6605 307.8621 3514.3870 6337.6054 303.2847 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: 8416.91, 0.00391067/step Wall: 8416.91, 0.00391067/step, 0.441254 hours remaining, 115.753906 MB of memory in use. ENERGY: 2093800 671.8823 1833.5974 1977.0203 119.5637 3.0278 -1074.7418 0.0000 0.0000 2755.2744 6285.6241 304.3277 3530.3497 6317.6600 303.1666 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: 8417.7, 0.00391411/step Wall: 8417.7, 0.00391411/step, 0.441425 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2094000 701.6684 1862.9040 1961.8319 108.7782 2.4880 -1066.3841 0.0000 0.0000 2694.8293 6266.1158 297.6514 3571.2865 6296.4635 302.3652 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: 8418.48, 0.00391348/step Wall: 8418.48, 0.00391348/step, 0.441136 hours remaining, 115.753906 MB of memory in use. ENERGY: 2094200 673.7116 1840.9888 1945.3771 107.7728 1.9079 -1080.6784 0.0000 0.0000 2730.4182 6219.4979 301.5823 3489.0798 6251.5186 301.3098 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: 8419.26, 0.00391195/step Wall: 8419.26, 0.00391195/step, 0.440746 hours remaining, 115.753906 MB of memory in use. ENERGY: 2094400 631.6262 1825.3033 1984.0742 106.8498 1.3026 -1053.4867 0.0000 0.0000 2749.6925 6245.3618 303.7112 3495.6693 6279.7731 300.5598 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: 8420.04, 0.00390837/step Wall: 8420.04, 0.00390837/step, 0.440126 hours remaining, 115.753906 MB of memory in use. ENERGY: 2094600 655.6456 1830.5516 1938.5076 110.5606 1.9367 -1037.3892 0.0000 0.0000 2728.0559 6227.8688 301.3214 3499.8129 6261.5807 299.8629 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: 8420.83, 0.00391388/step Wall: 8420.83, 0.00391388/step, 0.440529 hours remaining, 115.753906 MB of memory in use. ENERGY: 2094800 650.7369 1863.5757 1978.6893 106.2769 1.1340 -1099.5516 0.0000 0.0000 2725.7905 6226.6518 301.0712 3500.8612 6259.6648 300.4159 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: 8421.61, 0.00391223/step Wall: 8421.61, 0.00391223/step, 0.440126 hours remaining, 115.753906 MB of memory in use. ENERGY: 2095000 666.6966 1836.2686 1963.6888 114.3467 1.1954 -1060.3166 0.0000 0.0000 2713.3507 6235.2303 299.6971 3521.8795 6266.2491 301.1179 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: 8422.39, 0.00391264/step Wall: 8422.39, 0.00391264/step, 0.439955 hours remaining, 115.753906 MB of memory in use. ENERGY: 2095200 649.8985 1872.7782 1958.8994 107.1537 1.7204 -1064.8355 0.0000 0.0000 2692.6245 6218.2392 297.4079 3525.6147 6251.2248 298.7102 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: 8423.17, 0.00391148/step Wall: 8423.17, 0.00391148/step, 0.439606 hours remaining, 115.753906 MB of memory in use. ENERGY: 2095400 653.7894 1865.4861 1947.0390 101.5889 2.2428 -1054.3414 0.0000 0.0000 2753.6420 6269.4468 304.1474 3515.8049 6301.5142 299.6102 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: 8423.95, 0.00390961/step Wall: 8423.95, 0.00390961/step, 0.43918 hours remaining, 115.753906 MB of memory in use. ENERGY: 2095600 669.8159 1861.4716 1944.7160 112.1815 2.9012 -1079.9528 0.0000 0.0000 2715.9864 6227.1197 299.9883 3511.1334 6260.0259 300.5452 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: 8424.74, 0.00391248/step Wall: 8424.74, 0.00391248/step, 0.439284 hours remaining, 115.753906 MB of memory in use. ENERGY: 2095800 616.1723 1842.7459 1945.2802 112.6602 1.8365 -1068.4410 0.0000 0.0000 2738.1914 6188.4455 302.4409 3450.2541 6225.0934 298.1918 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: 8425.52, 0.00391324/step Wall: 8425.52, 0.00391324/step, 0.439153 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2096000 623.3322 1835.3495 1980.7793 112.9079 2.2729 -1054.5895 0.0000 0.0000 2719.9701 6220.0225 300.4283 3500.0524 6253.7089 297.6786 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: 8426.3, 0.00391229/step Wall: 8426.3, 0.00391229/step, 0.438829 hours remaining, 115.753906 MB of memory in use. ENERGY: 2096200 645.2687 1883.6537 1978.3137 114.2865 1.1717 -1119.9871 0.0000 0.0000 2761.7146 6264.4219 305.0391 3502.7073 6298.1189 301.4049 LDB: ============= START OF LOAD BALANCING ============== 8429 LDB: ============== END OF LOAD BALANCING =============== 8429 LDB: =============== DONE WITH MIGRATION ================ 8429 LDB: ============= START OF LOAD BALANCING ============== 8429.39 LDB: ============== END OF LOAD BALANCING =============== 8429.39 LDB: =============== DONE WITH MIGRATION ================ 8429.39 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: 8427.09, 0.00391756/step Wall: 8427.09, 0.00391756/step, 0.439202 hours remaining, 115.753906 MB of memory in use. ENERGY: 2096400 662.2038 1855.7647 1983.2533 123.4082 1.9649 -1085.5302 0.0000 0.0000 2740.8119 6281.8767 302.7303 3541.0647 6313.4263 303.6485 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: 8427.87, 0.00391016/step Wall: 8427.87, 0.00391016/step, 0.438156 hours remaining, 115.753906 MB of memory in use. ENERGY: 2096600 674.2872 1827.0579 1954.8766 101.1491 2.2139 -1103.7600 0.0000 0.0000 2757.0973 6212.9220 304.5291 3455.8247 6247.8603 301.6348 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: 8428.65, 0.00391445/step Wall: 8428.65, 0.00391445/step, 0.438418 hours remaining, 115.753906 MB of memory in use. ENERGY: 2096800 684.0494 1841.3570 1976.0442 109.0811 2.1818 -1050.1883 0.0000 0.0000 2689.3188 6251.8440 297.0428 3562.5252 6283.6618 301.0077 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: 8429.43, 0.00391233/step Wall: 8429.43, 0.00391233/step, 0.437964 hours remaining, 115.753906 MB of memory in use. ENERGY: 2097000 665.8177 1829.3642 1943.8211 115.4803 1.1250 -1074.7753 0.0000 0.0000 2751.8325 6232.6654 303.9476 3480.8330 6266.7959 301.3964 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: 8430.22, 0.00391342/step Wall: 8430.22, 0.00391342/step, 0.437868 hours remaining, 115.753906 MB of memory in use. ENERGY: 2097200 653.7794 1819.6611 1960.3560 98.7661 1.4730 -1081.5043 0.0000 0.0000 2764.0861 6216.6173 305.3010 3452.5312 6252.5756 299.5640 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: 8431, 0.00390957/step Wall: 8431, 0.00390957/step, 0.43722 hours remaining, 115.753906 MB of memory in use. ENERGY: 2097400 662.9598 1821.5568 1940.9208 117.3615 2.2303 -1077.9605 0.0000 0.0000 2707.8383 6174.9071 299.0883 3467.0688 6206.9631 298.6985 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: 8431.78, 0.00391296/step Wall: 8431.78, 0.00391296/step, 0.437382 hours remaining, 115.753906 MB of memory in use. ENERGY: 2097600 646.5241 1821.5076 1946.7211 99.5441 1.8169 -1044.2947 0.0000 0.0000 2677.7321 6149.5511 295.7630 3471.8190 6181.1532 296.5496 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: 8432.56, 0.00391392/step Wall: 8432.56, 0.00391392/step, 0.437272 hours remaining, 115.753906 MB of memory in use. ENERGY: 2097800 632.6357 1784.0946 1934.8361 117.8313 1.7967 -1051.7903 0.0000 0.0000 2708.6815 6128.0856 299.1814 3419.4041 6161.7051 297.0245 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: 8433.35, 0.00391297/step Wall: 8433.35, 0.00391297/step, 0.436948 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2098000 613.6020 1866.0318 1963.3100 107.6871 2.6120 -1059.5894 0.0000 0.0000 2669.0564 6162.7100 294.8047 3493.6535 6191.3216 295.9760 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: 8434.13, 0.00391418/step Wall: 8434.13, 0.00391418/step, 0.436866 hours remaining, 115.753906 MB of memory in use. ENERGY: 2098200 629.4085 1841.5093 1979.5086 109.8556 1.6219 -1107.3705 0.0000 0.0000 2685.8500 6140.3834 296.6596 3454.5334 6171.8409 296.9354 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: 8434.91, 0.00390919/step Wall: 8434.91, 0.00390919/step, 0.436092 hours remaining, 115.753906 MB of memory in use. ENERGY: 2098400 662.5568 1815.4518 1962.2357 108.3882 2.2626 -1083.7264 0.0000 0.0000 2732.8437 6200.0125 301.8502 3467.1688 6235.6655 297.8095 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: 8435.69, 0.00391482/step Wall: 8435.69, 0.00391482/step, 0.436502 hours remaining, 115.753906 MB of memory in use. ENERGY: 2098600 604.5665 1860.7206 1975.6644 107.4284 2.4091 -1072.3496 0.0000 0.0000 2724.0000 6202.4394 300.8734 3478.4394 6233.8453 300.2991 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: 8436.48, 0.00391496/step Wall: 8436.48, 0.00391496/step, 0.4363 hours remaining, 115.753906 MB of memory in use. ENERGY: 2098800 668.7946 1907.9695 1959.1001 110.6473 1.3548 -1113.4218 0.0000 0.0000 2712.5995 6247.0439 299.6142 3534.4444 6279.8666 301.3857 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: 8437.26, 0.00391586/step Wall: 8437.26, 0.00391586/step, 0.436183 hours remaining, 115.753906 MB of memory in use. ENERGY: 2099000 653.9892 1832.4963 1983.9949 116.8772 1.6991 -1082.2477 0.0000 0.0000 2726.8482 6233.6572 301.1880 3506.8090 6269.6286 301.8415 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: 8438.04, 0.00391105/step Wall: 8438.04, 0.00391105/step, 0.435431 hours remaining, 115.753906 MB of memory in use. ENERGY: 2099200 667.1927 1863.5774 1966.7606 98.5962 0.0777 -1067.2189 0.0000 0.0000 2736.0391 6265.0249 302.2031 3528.9858 6299.0733 303.3179 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: 8438.83, 0.00392337/step Wall: 8438.83, 0.00392337/step, 0.436583 hours remaining, 115.753906 MB of memory in use. ENERGY: 2099400 661.6885 1853.5170 1971.2890 109.1269 0.7915 -1110.0799 0.0000 0.0000 2751.3577 6237.6906 303.8951 3486.3329 6272.6418 303.7991 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: 8439.61, 0.0039143/step Wall: 8439.61, 0.0039143/step, 0.435358 hours remaining, 115.753906 MB of memory in use. ENERGY: 2099600 655.6358 1853.4503 1948.2226 99.6961 1.5738 -1045.8175 0.0000 0.0000 2720.8965 6233.6577 300.5306 3512.7611 6266.1511 303.5988 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: 8440.39, 0.003915/step Wall: 8440.39, 0.003915/step, 0.435217 hours remaining, 115.753906 MB of memory in use. ENERGY: 2099800 624.6375 1834.2892 1967.1308 105.0112 0.2688 -1068.6109 0.0000 0.0000 2687.8140 6150.5407 296.8765 3462.7267 6180.7816 299.3001 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: 8441.17, 0.0039143/step Wall: 8441.17, 0.0039143/step, 0.434922 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2100000 650.3115 1784.4710 1958.4331 106.4500 1.8839 -1053.7477 0.0000 0.0000 2721.1209 6168.9226 300.5554 3447.8017 6205.7397 295.9583 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2100000 WRITING COORDINATES TO DCD FILE MD.1.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: 8441.99, 0.00408195/step Wall: 8441.99, 0.00408195/step, 0.453324 hours remaining, 115.753906 MB of memory in use. ENERGY: 2100200 629.3047 1822.3793 1938.8963 113.4957 2.4458 -1108.1374 0.0000 0.0000 2723.6427 6122.0271 300.8339 3398.3844 6156.4648 296.2960 LDB: ============= START OF LOAD BALANCING ============== 8444.69 LDB: ============== END OF LOAD BALANCING =============== 8444.69 LDB: =============== DONE WITH MIGRATION ================ 8444.69 LDB: ============= START OF LOAD BALANCING ============== 8445.08 LDB: ============== END OF LOAD BALANCING =============== 8445.08 LDB: =============== DONE WITH MIGRATION ================ 8445.08 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: 8442.78, 0.00392153/step Wall: 8442.78, 0.00392153/step, 0.435289 hours remaining, 115.753906 MB of memory in use. ENERGY: 2100400 629.6069 1806.0838 1962.7168 95.9419 2.8246 -1102.5575 0.0000 0.0000 2720.0910 6114.7076 300.4416 3394.6166 6152.7443 295.6501 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: 8443.56, 0.00391771/step Wall: 8443.56, 0.00391771/step, 0.434648 hours remaining, 115.753906 MB of memory in use. ENERGY: 2100600 652.7161 1789.0218 1925.0183 105.0435 2.2591 -1053.9222 0.0000 0.0000 2691.4683 6111.6049 297.2802 3420.1366 6144.2066 295.1950 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: 8444.34, 0.00391596/step Wall: 8444.34, 0.00391596/step, 0.434237 hours remaining, 115.753906 MB of memory in use. ENERGY: 2100800 640.6706 1801.0029 1951.6573 99.9105 2.9944 -1114.2179 0.0000 0.0000 2695.1255 6077.1432 297.6841 3382.0178 6108.2550 295.1140 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: 8445.13, 0.00391541/step Wall: 8445.13, 0.00391541/step, 0.433957 hours remaining, 115.753906 MB of memory in use. ENERGY: 2101000 630.2690 1830.5811 1939.5626 110.5298 2.9216 -1089.5211 0.0000 0.0000 2659.2267 6083.5697 293.7190 3424.3430 6117.9424 294.3125 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: 8445.91, 0.00391089/step Wall: 8445.91, 0.00391089/step, 0.43324 hours remaining, 115.753906 MB of memory in use. ENERGY: 2101200 664.8276 1830.9475 1959.9145 118.2953 3.0928 -1101.0489 0.0000 0.0000 2635.1548 6111.1837 291.0602 3476.0289 6142.6843 295.4416 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: 8446.69, 0.00391504/step Wall: 8446.69, 0.00391504/step, 0.433482 hours remaining, 115.753906 MB of memory in use. ENERGY: 2101400 640.2100 1810.1954 1969.8298 109.1438 2.8545 -1061.2481 0.0000 0.0000 2606.7832 6077.7685 287.9265 3470.9854 6108.7757 293.6849 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: 8447.47, 0.00391384/step Wall: 8447.47, 0.00391384/step, 0.433132 hours remaining, 115.753906 MB of memory in use. ENERGY: 2101600 638.7268 1791.7445 1946.7494 115.3745 1.6094 -1071.8389 0.0000 0.0000 2676.2220 6098.5878 295.5962 3422.3658 6127.3164 292.3575 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: 8448.26, 0.00391359/step Wall: 8448.26, 0.00391359/step, 0.432887 hours remaining, 115.753906 MB of memory in use. ENERGY: 2101800 645.5101 1814.4801 1917.4635 125.8729 1.9707 -1073.1238 0.0000 0.0000 2673.5675 6105.7411 295.3030 3432.1735 6139.5093 295.7798 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: 8449.04, 0.00391072/step Wall: 8449.04, 0.00391072/step, 0.432352 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2102000 645.1662 1784.3789 1947.1310 117.0126 1.6924 -1086.0904 0.0000 0.0000 2674.2824 6083.5731 295.3819 3409.2907 6116.9272 292.7075 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: 8449.82, 0.00391266/step Wall: 8449.82, 0.00391266/step, 0.432349 hours remaining, 115.753906 MB of memory in use. ENERGY: 2102200 650.2937 1762.5387 1956.1978 112.9007 0.9452 -1093.6346 0.0000 0.0000 2682.2063 6071.4478 296.2572 3389.2415 6103.3606 293.6875 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: 8450.6, 0.00391488/step Wall: 8450.6, 0.00391488/step, 0.432377 hours remaining, 115.753906 MB of memory in use. ENERGY: 2102400 640.0481 1812.9326 1960.2265 121.7010 2.5155 -1083.9446 0.0000 0.0000 2640.8024 6094.2815 291.6840 3453.4790 6123.6904 293.0386 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: 8451.39, 0.00391515/step Wall: 8451.39, 0.00391515/step, 0.43219 hours remaining, 115.753906 MB of memory in use. ENERGY: 2102600 659.0185 1825.6868 1933.4149 119.6290 1.8771 -1093.9194 0.0000 0.0000 2679.4633 6125.1703 295.9542 3445.7070 6157.2471 294.1244 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: 8452.17, 0.00391562/step Wall: 8452.17, 0.00391562/step, 0.432023 hours remaining, 115.753906 MB of memory in use. ENERGY: 2102800 658.0967 1815.5382 1939.5172 103.8035 2.0920 -1089.3694 0.0000 0.0000 2637.7906 6067.4687 291.3513 3429.6781 6102.0607 293.4799 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: 8452.95, 0.00391067/step Wall: 8452.95, 0.00391067/step, 0.43126 hours remaining, 115.753906 MB of memory in use. ENERGY: 2103000 663.3421 1826.5508 1955.7049 110.8214 2.2569 -1105.4809 0.0000 0.0000 2641.7724 6094.9676 291.7911 3453.1952 6132.5395 292.6916 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: 8453.73, 0.00391396/step Wall: 8453.73, 0.00391396/step, 0.431405 hours remaining, 115.753906 MB of memory in use. ENERGY: 2103200 644.1190 1799.3752 1974.2408 104.0538 2.4697 -1070.1574 0.0000 0.0000 2695.9845 6150.0857 297.7790 3454.1012 6185.3372 294.1191 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: 8454.52, 0.00391439/step Wall: 8454.52, 0.00391439/step, 0.431236 hours remaining, 115.753906 MB of memory in use. ENERGY: 2103400 626.7922 1864.2450 1915.7271 104.1187 0.6941 -1090.1007 0.0000 0.0000 2745.4364 6166.9128 303.2411 3421.4764 6201.5142 298.5412 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: 8455.3, 0.00391401/step Wall: 8455.3, 0.00391401/step, 0.430976 hours remaining, 115.753906 MB of memory in use. ENERGY: 2103600 665.6141 1823.9693 1965.0935 116.2137 0.8296 -1107.0854 0.0000 0.0000 2685.6589 6150.2937 296.6385 3464.6348 6185.3195 298.0175 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: 8456.08, 0.00390848/step Wall: 8456.08, 0.00390848/step, 0.43015 hours remaining, 115.753906 MB of memory in use. ENERGY: 2103800 702.4477 1815.3734 1974.7104 117.2664 2.0572 -1125.3056 0.0000 0.0000 2715.3960 6201.9456 299.9231 3486.5496 6234.2334 298.5575 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: 8456.87, 0.00391518/step Wall: 8456.87, 0.00391518/step, 0.430669 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2104000 676.7126 1810.6099 2001.1743 107.5643 2.3107 -1095.1269 0.0000 0.0000 2712.0491 6215.2940 299.5534 3503.2449 6248.0615 299.4199 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: 8457.65, 0.00391383/step Wall: 8457.65, 0.00391383/step, 0.430304 hours remaining, 115.753906 MB of memory in use. ENERGY: 2104200 666.0172 1851.6538 1927.4034 105.2742 1.5530 -1095.2448 0.0000 0.0000 2817.7638 6274.4205 311.2299 3456.6567 6308.3045 301.6364 LDB: ============= START OF LOAD BALANCING ============== 8460.35 LDB: ============== END OF LOAD BALANCING =============== 8460.35 LDB: =============== DONE WITH MIGRATION ================ 8460.35 LDB: ============= START OF LOAD BALANCING ============== 8460.74 LDB: ============== END OF LOAD BALANCING =============== 8460.74 LDB: =============== DONE WITH MIGRATION ================ 8460.74 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: 8458.43, 0.00391987/step Wall: 8458.43, 0.00391987/step, 0.43075 hours remaining, 115.753906 MB of memory in use. ENERGY: 2104400 638.4365 1886.1419 1956.7694 101.9280 3.6007 -1074.3619 0.0000 0.0000 2737.6655 6250.1800 302.3828 3512.5145 6283.9625 302.9679 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: 8459.21, 0.00391257/step Wall: 8459.21, 0.00391257/step, 0.42973 hours remaining, 115.753906 MB of memory in use. ENERGY: 2104600 685.0927 1815.0320 1963.8184 108.0514 2.6241 -1075.4205 0.0000 0.0000 2746.9380 6246.1363 303.4070 3499.1982 6281.7323 302.3935 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: 8460, 0.00390918/step Wall: 8460, 0.00390918/step, 0.429141 hours remaining, 115.753906 MB of memory in use. ENERGY: 2104800 672.5635 1842.7654 1993.0672 107.7233 1.8534 -1116.6146 0.0000 0.0000 2731.3324 6232.6906 301.6833 3501.3582 6266.6690 300.6703 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: 8460.78, 0.00391451/step Wall: 8460.78, 0.00391451/step, 0.429509 hours remaining, 115.753906 MB of memory in use. ENERGY: 2105000 673.5370 1876.9984 1967.6755 88.6434 1.3097 -1084.1967 0.0000 0.0000 2696.8828 6220.8502 297.8782 3523.9674 6253.4040 301.0335 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: 8461.56, 0.00391449/step Wall: 8461.56, 0.00391449/step, 0.429289 hours remaining, 115.753906 MB of memory in use. ENERGY: 2105200 648.3930 1839.9807 1979.2794 105.9803 1.3943 -1067.6348 0.0000 0.0000 2712.7396 6220.1325 299.6296 3507.3929 6253.6267 300.6932 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: 8462.34, 0.00391352/step Wall: 8462.34, 0.00391352/step, 0.428965 hours remaining, 115.753906 MB of memory in use. ENERGY: 2105400 665.4651 1891.9968 1955.4645 95.6924 2.9147 -1092.4619 0.0000 0.0000 2776.2862 6295.3577 306.6485 3519.0715 6330.3884 302.7414 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: 8463.13, 0.00390951/step Wall: 8463.13, 0.00390951/step, 0.428309 hours remaining, 115.753906 MB of memory in use. ENERGY: 2105600 642.1436 1878.2613 1946.9097 105.4090 3.3757 -1071.7760 0.0000 0.0000 2749.0844 6253.4079 303.6440 3504.3234 6286.8383 302.0105 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: 8463.91, 0.00391467/step Wall: 8463.91, 0.00391467/step, 0.428657 hours remaining, 115.753906 MB of memory in use. ENERGY: 2105800 669.2354 1860.2075 1922.4531 95.7284 2.9058 -1070.0613 0.0000 0.0000 2737.9833 6218.4521 302.4179 3480.4688 6251.7030 300.9084 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: 8464.69, 0.00391391/step Wall: 8464.69, 0.00391391/step, 0.428356 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2106000 621.7745 1889.0587 1975.0109 110.9569 1.4282 -1089.9096 0.0000 0.0000 2686.1410 6194.4606 296.6918 3508.3196 6227.2829 300.0256 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: 8465.48, 0.00391395/step Wall: 8465.48, 0.00391395/step, 0.428143 hours remaining, 115.753906 MB of memory in use. ENERGY: 2106200 671.5528 1862.8735 1949.7886 105.1558 1.3779 -1084.4095 0.0000 0.0000 2677.2093 6183.5484 295.7052 3506.3391 6217.9687 297.4554 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: 8466.26, 0.0039142/step Wall: 8466.26, 0.0039142/step, 0.427953 hours remaining, 115.753906 MB of memory in use. ENERGY: 2106400 671.2984 1852.6098 1934.2194 104.8668 1.6063 -1061.8206 0.0000 0.0000 2734.8156 6237.5958 302.0680 3502.7801 6273.7025 300.2104 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: 8467.04, 0.00391057/step Wall: 8467.04, 0.00391057/step, 0.427338 hours remaining, 115.753906 MB of memory in use. ENERGY: 2106600 705.5454 1878.1765 1956.4149 125.3504 1.0176 -1042.0896 0.0000 0.0000 2721.4892 6345.9045 300.5961 3624.4152 6376.1558 304.8821 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: 8467.82, 0.00391412/step Wall: 8467.82, 0.00391412/step, 0.427508 hours remaining, 115.753906 MB of memory in use. ENERGY: 2106800 678.4500 1801.6390 1951.7532 112.3304 0.8883 -1074.5051 0.0000 0.0000 2769.4435 6239.9994 305.8928 3470.5558 6277.6778 304.1726 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: 8468.61, 0.00391425/step Wall: 8468.61, 0.00391425/step, 0.427306 hours remaining, 115.753906 MB of memory in use. ENERGY: 2107000 666.8156 1898.1880 1951.2457 112.5346 -0.0282 -1082.1367 0.0000 0.0000 2723.2658 6269.8846 300.7923 3546.6189 6302.2052 301.0425 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: 8469.39, 0.00391204/step Wall: 8469.39, 0.00391204/step, 0.426847 hours remaining, 115.753906 MB of memory in use. ENERGY: 2107200 610.8614 1896.7034 1947.2261 100.3379 1.0807 -1046.4224 0.0000 0.0000 2675.8857 6185.6727 295.5590 3509.7870 6216.4185 300.4943 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: 8470.17, 0.00393013/step Wall: 8470.17, 0.00393013/step, 0.428602 hours remaining, 115.753906 MB of memory in use. ENERGY: 2107400 663.0811 1889.6776 1924.7839 109.5814 1.5286 -1050.1979 0.0000 0.0000 2673.4469 6211.9017 295.2897 3538.4548 6248.5330 297.7982 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: 8470.96, 0.00391058/step Wall: 8470.96, 0.00391058/step, 0.426254 hours remaining, 115.753906 MB of memory in use. ENERGY: 2107600 645.9742 1822.5594 1958.3199 104.8223 2.2416 -1048.4049 0.0000 0.0000 2780.8030 6266.3156 307.1474 3485.5125 6301.0010 301.4756 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: 8471.74, 0.0039148/step Wall: 8471.74, 0.00391479/step, 0.426495 hours remaining, 115.753906 MB of memory in use. ENERGY: 2107800 663.1676 1862.9477 1939.4481 115.7166 1.9347 -1097.4983 0.0000 0.0000 2768.5389 6254.2553 305.7928 3485.7165 6287.2966 303.8567 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: 8472.52, 0.00391399/step Wall: 8472.52, 0.003914/step, 0.426191 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2108000 650.1859 1894.4544 1936.2549 106.8418 2.1061 -1100.7165 0.0000 0.0000 2723.2164 6212.3431 300.7868 3489.1267 6244.2152 300.1535 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: 8473.31, 0.00391544/step Wall: 8473.31, 0.00391544/step, 0.42613 hours remaining, 115.753906 MB of memory in use. ENERGY: 2108200 660.9862 1830.0073 1943.0986 110.7902 0.1942 -1078.2774 0.0000 0.0000 2789.3390 6256.1380 308.0903 3466.7990 6288.6444 301.8724 LDB: ============= START OF LOAD BALANCING ============== 8476.01 LDB: ============== END OF LOAD BALANCING =============== 8476.01 LDB: =============== DONE WITH MIGRATION ================ 8476.01 LDB: ============= START OF LOAD BALANCING ============== 8476.4 LDB: ============== END OF LOAD BALANCING =============== 8476.4 LDB: =============== DONE WITH MIGRATION ================ 8476.4 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: 8474.09, 0.00391482/step Wall: 8474.09, 0.00391482/step, 0.425845 hours remaining, 115.753906 MB of memory in use. ENERGY: 2108400 685.5727 1908.4964 1968.4628 103.2038 0.9928 -1123.2738 0.0000 0.0000 2757.1510 6300.6056 304.5350 3543.4546 6334.5111 303.4446 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: 8474.87, 0.00391433/step Wall: 8474.87, 0.00391433/step, 0.425575 hours remaining, 115.753906 MB of memory in use. ENERGY: 2108600 704.7556 1867.5452 1977.9016 112.3053 0.7550 -1100.9305 0.0000 0.0000 2776.3800 6338.7123 306.6589 3562.3323 6374.0942 306.1669 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: 8475.65, 0.00391503/step Wall: 8475.65, 0.00391503/step, 0.425433 hours remaining, 115.753906 MB of memory in use. ENERGY: 2108800 662.1688 1870.2125 1984.6918 119.4716 1.2319 -1065.8575 0.0000 0.0000 2722.9473 6294.8664 300.7571 3571.9191 6328.3474 307.2485 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: 8476.44, 0.00391451/step Wall: 8476.44, 0.00391451/step, 0.425159 hours remaining, 115.753906 MB of memory in use. ENERGY: 2109000 694.4127 1838.7181 1941.1660 104.2581 1.2315 -1075.9637 0.0000 0.0000 2762.3956 6266.2183 305.1143 3503.8227 6300.7166 303.1727 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: 8477.22, 0.00391266/step Wall: 8477.22, 0.00391266/step, 0.424741 hours remaining, 115.753906 MB of memory in use. ENERGY: 2109200 701.4914 1887.1361 1950.3227 103.4912 1.8301 -1104.0631 0.0000 0.0000 2770.0378 6310.2463 305.9584 3540.2084 6343.3350 304.4637 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: 8478, 0.00390929/step Wall: 8478, 0.00390929/step, 0.424157 hours remaining, 115.753906 MB of memory in use. ENERGY: 2109400 647.6884 1933.0719 1978.0696 108.0734 0.2777 -1114.1650 0.0000 0.0000 2741.4456 6294.4616 302.8003 3553.0160 6328.0901 305.6310 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: 8478.79, 0.00392115/step Wall: 8478.79, 0.00392115/step, 0.425226 hours remaining, 115.753906 MB of memory in use. ENERGY: 2109600 680.7687 1845.5114 1991.5095 103.5932 2.3885 -1077.0798 0.0000 0.0000 2804.4092 6351.1006 309.7548 3546.6915 6387.8166 306.5077 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: 8479.57, 0.00391515/step Wall: 8479.57, 0.00391515/step, 0.424358 hours remaining, 115.753906 MB of memory in use. ENERGY: 2109800 706.3427 1846.4414 1980.0052 116.2797 1.9213 -1049.7458 0.0000 0.0000 2708.6199 6309.8645 299.1746 3601.2446 6342.8062 304.9877 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: 8480.35, 0.00391405/step Wall: 8480.35, 0.00391405/step, 0.424022 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2110000 671.8353 1841.7578 2005.4291 95.4915 1.5941 -1083.1418 0.0000 0.0000 2770.7651 6303.7309 306.0387 3532.9659 6337.9725 304.3890 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2110000 WRITING COORDINATES TO DCD FILE MD.1.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: 8481.17, 0.00409958/step Wall: 8481.17, 0.00409958/step, 0.443893 hours remaining, 115.753906 MB of memory in use. ENERGY: 2110200 678.1638 1852.1387 1996.8117 106.5967 1.2736 -1090.4638 0.0000 0.0000 2762.6905 6307.2112 305.1469 3544.5207 6339.2645 305.3739 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: 8481.95, 0.00391445/step Wall: 8481.95, 0.00391446/step, 0.423631 hours remaining, 115.753906 MB of memory in use. ENERGY: 2110400 634.0631 1898.5706 1962.2055 118.9260 1.6162 -1103.3117 0.0000 0.0000 2761.4721 6273.5418 305.0123 3512.0697 6308.3859 304.9398 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: 8482.74, 0.00391523/step Wall: 8482.74, 0.00391523/step, 0.423498 hours remaining, 115.753906 MB of memory in use. ENERGY: 2110600 669.8349 1839.7702 1977.4503 110.2146 2.8931 -1071.9052 0.0000 0.0000 2777.2198 6305.4778 306.7517 3528.2580 6339.0726 304.3662 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: 8483.52, 0.00391456/step Wall: 8483.52, 0.00391456/step, 0.423207 hours remaining, 115.753906 MB of memory in use. ENERGY: 2110800 692.3719 1830.2994 1970.6442 100.3615 2.3504 -1064.3587 0.0000 0.0000 2731.6801 6263.3489 301.7217 3531.6688 6295.7412 302.7005 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: 8484.3, 0.00391486/step Wall: 8484.3, 0.00391486/step, 0.423023 hours remaining, 115.753906 MB of memory in use. ENERGY: 2111000 643.5765 1829.9175 1996.1095 114.3895 0.2910 -1053.6717 0.0000 0.0000 2706.1461 6236.7584 298.9014 3530.6123 6270.6490 302.4720 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: 8485.09, 0.00391189/step Wall: 8485.09, 0.00391189/step, 0.422484 hours remaining, 115.753906 MB of memory in use. ENERGY: 2111200 698.4404 1858.2552 1977.1900 127.1214 0.1420 -1075.7607 0.0000 0.0000 2692.3509 6277.7392 297.3777 3585.3883 6305.4154 302.6595 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: 8485.87, 0.00391531/step Wall: 8485.87, 0.00391531/step, 0.422636 hours remaining, 115.753906 MB of memory in use. ENERGY: 2111400 662.5120 1872.3676 1977.8645 113.2328 1.8960 -1072.1338 0.0000 0.0000 2746.5065 6302.2456 303.3593 3555.7391 6335.5846 301.4952 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: 8486.65, 0.00391601/step Wall: 8486.65, 0.00391601/step, 0.422494 hours remaining, 115.753906 MB of memory in use. ENERGY: 2111600 647.6622 1843.1548 1960.9160 114.4165 2.5780 -1074.3861 0.0000 0.0000 2769.1498 6263.4911 305.8603 3494.3413 6297.3814 302.2060 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: 8487.43, 0.00391484/step Wall: 8487.43, 0.00391484/step, 0.42215 hours remaining, 115.753906 MB of memory in use. ENERGY: 2111800 651.2996 1866.2258 1964.7763 101.2096 1.9459 -1083.5247 0.0000 0.0000 2723.7863 6225.7187 300.8498 3501.9324 6260.0329 301.2574 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: 8488.22, 0.00391451/step Wall: 8488.22, 0.00391451/step, 0.421897 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2112000 654.1337 1884.9806 1974.3280 108.9246 1.6185 -1061.9242 0.0000 0.0000 2627.6065 6189.6678 290.2265 3562.0613 6220.6816 298.8735 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: 8489, 0.00391301/step Wall: 8489, 0.00391301/step, 0.421518 hours remaining, 115.753906 MB of memory in use. ENERGY: 2112200 628.2751 1818.4892 1954.5667 104.6850 0.9409 -1086.6481 0.0000 0.0000 2747.2490 6167.5577 303.4413 3420.3087 6200.4619 299.2192 LDB: ============= START OF LOAD BALANCING ============== 8491.7 LDB: ============== END OF LOAD BALANCING =============== 8491.7 LDB: =============== DONE WITH MIGRATION ================ 8491.7 LDB: ============= START OF LOAD BALANCING ============== 8492.09 LDB: ============== END OF LOAD BALANCING =============== 8492.09 LDB: =============== DONE WITH MIGRATION ================ 8492.09 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: 8489.78, 0.00391845/step Wall: 8489.78, 0.00391845/step, 0.421886 hours remaining, 115.753906 MB of memory in use. ENERGY: 2112400 673.3356 1814.3229 1952.4924 113.7567 1.3492 -1059.5953 0.0000 0.0000 2688.6992 6184.3608 296.9743 3495.6616 6216.9997 298.3332 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: 8490.57, 0.00391572/step Wall: 8490.57, 0.00391572/step, 0.421374 hours remaining, 115.753906 MB of memory in use. ENERGY: 2112600 664.5329 1831.4340 1970.0397 114.7160 1.3471 -1088.4956 0.0000 0.0000 2686.8578 6180.4319 296.7709 3493.5741 6211.4906 299.3008 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: 8491.35, 0.00391468/step Wall: 8491.35, 0.00391468/step, 0.421046 hours remaining, 115.753906 MB of memory in use. ENERGY: 2112800 638.1091 1807.3624 1955.7510 110.0714 1.3468 -1086.0514 0.0000 0.0000 2675.6126 6102.2018 295.5289 3426.5892 6133.6021 296.7244 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: 8492.13, 0.00391082/step Wall: 8492.13, 0.00391082/step, 0.420414 hours remaining, 115.753906 MB of memory in use. ENERGY: 2113000 632.3441 1797.0738 1957.2289 96.6625 0.1786 -1052.2283 0.0000 0.0000 2670.2866 6101.5462 294.9406 3431.2596 6133.4993 293.5991 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: 8492.91, 0.00391191/step Wall: 8492.91, 0.00391191/step, 0.420312 hours remaining, 115.753906 MB of memory in use. ENERGY: 2113200 640.2716 1771.7466 1956.9966 111.6065 0.3179 -1096.7468 0.0000 0.0000 2694.3616 6078.5539 297.5997 3384.1923 6110.7782 293.5673 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: 8493.7, 0.0039135/step Wall: 8493.7, 0.00391349/step, 0.420265 hours remaining, 115.753906 MB of memory in use. ENERGY: 2113400 637.6517 1823.5464 1945.6861 105.0669 1.4123 -1107.1626 0.0000 0.0000 2639.9826 6046.1833 291.5934 3406.2006 6075.2443 292.6504 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: 8494.48, 0.00391397/step Wall: 8494.48, 0.00391397/step, 0.420099 hours remaining, 115.753906 MB of memory in use. ENERGY: 2113600 678.5126 1817.9930 1966.2956 103.3527 0.5870 -1053.5400 0.0000 0.0000 2604.9179 6118.1189 287.7204 3513.2009 6145.9581 293.1289 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: 8495.26, 0.003913/step Wall: 8495.26, 0.003913/step, 0.419778 hours remaining, 115.753906 MB of memory in use. ENERGY: 2113800 639.0115 1836.9638 1996.6586 123.8568 1.4121 -1110.9064 0.0000 0.0000 2626.5930 6113.5893 290.1145 3486.9964 6145.8603 294.3228 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: 8496.04, 0.00391051/step Wall: 8496.04, 0.00391051/step, 0.419294 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2114000 644.0971 1800.9789 1961.1426 109.4476 1.4423 -1085.3084 0.0000 0.0000 2667.8194 6099.6195 294.6681 3431.8001 6133.9762 294.2322 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: 8496.83, 0.00391579/step Wall: 8496.83, 0.00391579/step, 0.419642 hours remaining, 115.753906 MB of memory in use. ENERGY: 2114200 636.2063 1820.1701 1967.1894 118.0536 -0.1050 -1070.3433 0.0000 0.0000 2655.7098 6126.8810 293.3305 3471.1712 6158.7980 296.1866 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: 8497.61, 0.00391322/step Wall: 8497.61, 0.00391322/step, 0.41915 hours remaining, 115.753906 MB of memory in use. ENERGY: 2114400 636.5612 1814.7967 1976.4905 116.4217 1.9849 -1089.2445 0.0000 0.0000 2684.8444 6141.8549 296.5485 3457.0106 6173.5156 295.8636 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: 8498.39, 0.00391312/step Wall: 8498.39, 0.00391312/step, 0.418921 hours remaining, 115.753906 MB of memory in use. ENERGY: 2114600 663.9123 1831.4151 1963.1550 107.2812 -0.3968 -1071.3727 0.0000 0.0000 2660.7826 6154.7768 293.8909 3493.9941 6188.7417 297.0141 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: 8499.17, 0.00390749/step Wall: 8499.17, 0.00390749/step, 0.418101 hours remaining, 115.753906 MB of memory in use. ENERGY: 2114800 657.4604 1851.9742 1979.8941 91.3263 1.8377 -1084.8659 0.0000 0.0000 2633.3555 6130.9823 290.8615 3497.6267 6161.4921 296.5843 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: 8499.96, 0.00391272/step Wall: 8499.96, 0.00391272/step, 0.418444 hours remaining, 115.753906 MB of memory in use. ENERGY: 2115000 637.8928 1884.6274 1994.1626 105.1037 1.1552 -1103.3932 0.0000 0.0000 2645.1346 6164.6831 292.1625 3519.5485 6197.9248 296.7955 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: 8500.74, 0.00391215/step Wall: 8500.74, 0.00391215/step, 0.418166 hours remaining, 115.753906 MB of memory in use. ENERGY: 2115200 669.9848 1840.0476 1979.7331 102.2737 1.1920 -1099.8983 0.0000 0.0000 2675.7980 6169.1309 295.5493 3493.3329 6199.2982 298.3804 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: 8501.52, 0.00391255/step Wall: 8501.52, 0.00391255/step, 0.41799 hours remaining, 115.753906 MB of memory in use. ENERGY: 2115400 670.3528 1772.6100 1935.1685 99.2688 0.6982 -1059.3236 0.0000 0.0000 2750.2946 6169.0691 303.7777 3418.7745 6205.7045 297.8396 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: 8502.3, 0.00391109/step Wall: 8502.3, 0.00391109/step, 0.417618 hours remaining, 115.753906 MB of memory in use. ENERGY: 2115600 672.2528 1815.8494 1952.2331 115.5484 0.4161 -1086.8394 0.0000 0.0000 2683.0942 6152.5547 296.3552 3469.4605 6185.8070 297.4348 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: 8503.09, 0.00390908/step Wall: 8503.09, 0.00390908/step, 0.417186 hours remaining, 115.753906 MB of memory in use. ENERGY: 2115800 684.7597 1855.8041 2002.7538 113.9233 0.0094 -1147.0677 0.0000 0.0000 2683.0208 6193.2033 296.3471 3510.1826 6226.1929 298.3507 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: 8503.87, 0.00390932/step Wall: 8503.87, 0.00390932/step, 0.416994 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2116000 638.0349 1836.3496 1936.0628 98.2821 0.9794 -1122.4819 0.0000 0.0000 2731.1506 6118.3775 301.6632 3387.2269 6152.9719 297.1053 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: 8504.65, 0.00390988/step Wall: 8504.65, 0.00390988/step, 0.416836 hours remaining, 115.753906 MB of memory in use. ENERGY: 2116200 663.3007 1777.6046 1938.8352 118.4421 0.9823 -1084.4235 0.0000 0.0000 2704.3828 6119.1243 298.7066 3414.7415 6154.2760 294.8241 LDB: ============= START OF LOAD BALANCING ============== 8507.35 LDB: ============== END OF LOAD BALANCING =============== 8507.35 LDB: =============== DONE WITH MIGRATION ================ 8507.35 LDB: ============= START OF LOAD BALANCING ============== 8507.74 LDB: ============== END OF LOAD BALANCING =============== 8507.74 LDB: =============== DONE WITH MIGRATION ================ 8507.74 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: 8505.43, 0.00391402/step Wall: 8505.43, 0.00391402/step, 0.41706 hours remaining, 115.753906 MB of memory in use. ENERGY: 2116400 705.3937 1837.8910 1950.7397 106.9929 1.3118 -1138.4719 0.0000 0.0000 2685.8209 6149.6781 296.6564 3463.8572 6182.0359 294.8841 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: 8506.21, 0.00390776/step Wall: 8506.21, 0.00390776/step, 0.416176 hours remaining, 115.753906 MB of memory in use. ENERGY: 2116600 641.3245 1872.5518 1956.4067 102.1658 0.3120 -1101.4116 0.0000 0.0000 2677.4000 6148.7494 295.7263 3471.3494 6180.6923 296.9626 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: 8507, 0.00390977/step Wall: 8507, 0.00390977/step, 0.416173 hours remaining, 115.753906 MB of memory in use. ENERGY: 2116800 684.7334 1820.1079 1943.3257 108.6706 0.9926 -1090.2113 0.0000 0.0000 2622.9963 6090.6152 289.7172 3467.6189 6122.5122 297.0039 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: 8507.78, 0.0039096/step Wall: 8507.78, 0.0039096/step, 0.415938 hours remaining, 115.753906 MB of memory in use. ENERGY: 2117000 622.2685 1872.6299 1959.2088 104.7004 0.0973 -1113.8739 0.0000 0.0000 2688.4313 6133.4622 296.9447 3445.0309 6164.8818 293.7294 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: 8508.56, 0.00390981/step Wall: 8508.56, 0.00390981/step, 0.415743 hours remaining, 115.753906 MB of memory in use. ENERGY: 2117200 646.7416 1811.5463 1947.3477 101.5635 0.3668 -1068.7615 0.0000 0.0000 2673.1760 6111.9803 295.2597 3438.8043 6144.4977 296.8453 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: 8509.34, 0.00391193/step Wall: 8509.34, 0.00391193/step, 0.415751 hours remaining, 115.753906 MB of memory in use. ENERGY: 2117400 631.6059 1775.3983 1942.7817 106.4408 0.7819 -1057.4275 0.0000 0.0000 2699.5698 6099.1508 298.1750 3399.5811 6135.7487 293.6870 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: 8510.12, 0.00390929/step Wall: 8510.12, 0.00390929/step, 0.415253 hours remaining, 115.753906 MB of memory in use. ENERGY: 2117600 677.1136 1801.8940 1963.1979 103.2182 0.9629 -1095.2243 0.0000 0.0000 2650.3339 6101.4962 292.7368 3451.1624 6133.9287 293.3045 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: 8510.91, 0.0039121/step Wall: 8510.91, 0.0039121/step, 0.415335 hours remaining, 115.753906 MB of memory in use. ENERGY: 2117800 623.9847 1834.8222 1942.7904 103.6528 1.5803 -1065.6158 0.0000 0.0000 2729.6842 6170.8988 301.5012 3441.2146 6202.7774 296.2868 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: 8511.69, 0.00391151/step Wall: 8511.69, 0.00391151/step, 0.415055 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2118000 627.7190 1863.0967 1971.3528 105.8007 0.5330 -1075.9034 0.0000 0.0000 2709.3228 6201.9217 299.2522 3492.5990 6235.3364 300.8232 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: 8512.47, 0.00391281/step Wall: 8512.47, 0.00391281/step, 0.414975 hours remaining, 115.753906 MB of memory in use. ENERGY: 2118200 675.7179 1869.1188 1948.2498 113.8104 0.6404 -1091.2335 0.0000 0.0000 2692.2748 6208.5785 297.3692 3516.3037 6244.3676 300.3421 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: 8513.25, 0.00391314/step Wall: 8513.25, 0.00391314/step, 0.414793 hours remaining, 115.753906 MB of memory in use. ENERGY: 2118400 656.7272 1881.4277 1979.8260 112.6182 0.1528 -1096.5805 0.0000 0.0000 2715.6831 6249.8545 299.9548 3534.1713 6280.7269 300.7388 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: 8514.04, 0.00390995/step Wall: 8514.04, 0.00390995/step, 0.414237 hours remaining, 115.753906 MB of memory in use. ENERGY: 2118600 657.1704 1889.2338 1983.8078 117.6470 -0.6568 -1097.4726 0.0000 0.0000 2699.1687 6248.8982 298.1307 3549.7294 6281.7841 300.8201 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: 8514.82, 0.00391563/step Wall: 8514.82, 0.00391563/step, 0.414622 hours remaining, 115.753906 MB of memory in use. ENERGY: 2118800 673.9484 1849.9886 1964.2525 102.2575 0.3829 -1067.7567 0.0000 0.0000 2716.1142 6239.1876 300.0024 3523.0734 6270.9197 300.3461 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: 8515.6, 0.00391256/step Wall: 8515.6, 0.00391256/step, 0.414079 hours remaining, 115.753906 MB of memory in use. ENERGY: 2119000 678.8729 1835.9008 1944.7109 107.1973 -0.1493 -1079.0590 0.0000 0.0000 2736.0426 6223.5161 302.2035 3487.4735 6256.3425 300.1078 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: 8516.38, 0.00391333/step Wall: 8516.38, 0.00391333/step, 0.413944 hours remaining, 115.753906 MB of memory in use. ENERGY: 2119200 634.8087 1843.9938 1944.5054 102.2136 0.1184 -1046.0631 0.0000 0.0000 2702.3975 6181.9743 298.4873 3479.5768 6214.8121 299.6770 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: 8517.17, 0.00390777/step Wall: 8517.17, 0.00390777/step, 0.413138 hours remaining, 115.753906 MB of memory in use. ENERGY: 2119400 658.0742 1847.1771 1951.2603 104.4589 1.0074 -1096.7533 0.0000 0.0000 2690.2107 6155.4354 297.1413 3465.2247 6188.7317 298.1038 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: 8517.95, 0.00391186/step Wall: 8517.95, 0.00391185/step, 0.413352 hours remaining, 115.753906 MB of memory in use. ENERGY: 2119600 631.8752 1830.9100 1936.1624 113.3148 0.1628 -1125.8718 0.0000 0.0000 2713.9337 6100.4871 299.7615 3386.5534 6135.9882 297.2047 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: 8518.73, 0.00392248/step Wall: 8518.73, 0.00392249/step, 0.414258 hours remaining, 115.753906 MB of memory in use. ENERGY: 2119800 683.9099 1868.7818 1940.8807 111.9442 -0.2916 -1094.3764 0.0000 0.0000 2617.6210 6128.4694 289.1235 3510.8484 6157.4959 295.7658 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: 8519.52, 0.00391417/step Wall: 8519.52, 0.00391417/step, 0.413162 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2120000 662.5060 1816.1902 1958.1627 98.7079 0.7709 -1083.1611 0.0000 0.0000 2683.6945 6136.8711 296.4215 3453.1765 6170.8819 295.9751 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2120000 WRITING COORDINATES TO DCD FILE MD.1.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: 8526.81, 0.0364462/step Wall: 8526.81, 0.0364462/step, 3.84507 hours remaining, 115.753906 MB of memory in use. ENERGY: 2120200 619.2877 1837.3042 1969.6709 109.7862 -0.1336 -1097.2057 0.0000 0.0000 2702.4483 6141.1580 298.4929 3438.7097 6178.1374 296.9090 LDB: ============= START OF LOAD BALANCING ============== 8529.5 LDB: ============== END OF LOAD BALANCING =============== 8529.5 LDB: =============== DONE WITH MIGRATION ================ 8529.51 LDB: ============= START OF LOAD BALANCING ============== 8529.9 LDB: ============== END OF LOAD BALANCING =============== 8529.9 LDB: =============== DONE WITH MIGRATION ================ 8529.9 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: 8527.59, 0.00391627/step Wall: 8527.59, 0.00391628/step, 0.412949 hours remaining, 115.753906 MB of memory in use. ENERGY: 2120400 642.3748 1827.5948 1973.4418 104.9613 0.8643 -1110.0206 0.0000 0.0000 2658.9487 6098.1652 293.6883 3439.2164 6129.8799 296.3546 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: 8528.37, 0.00391024/step Wall: 8528.37, 0.00391024/step, 0.412096 hours remaining, 115.753906 MB of memory in use. ENERGY: 2120600 639.6124 1784.6283 1938.5844 109.2404 -0.4389 -1067.0693 0.0000 0.0000 2698.0801 6102.6374 298.0105 3404.5573 6134.6810 295.0276 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: 8529.15, 0.00390871/step Wall: 8529.15, 0.00390871/step, 0.411718 hours remaining, 115.753906 MB of memory in use. ENERGY: 2120800 637.2372 1794.5253 1939.8199 98.6097 0.6589 -1075.1603 0.0000 0.0000 2675.4745 6071.1651 295.5136 3395.6906 6106.2544 293.3691 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: 8529.94, 0.00391568/step Wall: 8529.94, 0.00391568/step, 0.412234 hours remaining, 115.753906 MB of memory in use. ENERGY: 2121000 648.9508 1828.0898 1926.5939 109.1523 1.5787 -1080.8203 0.0000 0.0000 2681.8114 6115.3567 296.2135 3433.5452 6148.1414 293.5857 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: 8530.72, 0.003915/step Wall: 8530.72, 0.003915/step, 0.411945 hours remaining, 115.753906 MB of memory in use. ENERGY: 2121200 659.4640 1867.2724 1908.2245 100.0486 -0.4245 -1124.1218 0.0000 0.0000 2697.8959 6108.3591 297.9901 3410.4632 6141.0222 296.2491 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: 8531.5, 0.00391554/step Wall: 8531.5, 0.00391554/step, 0.411785 hours remaining, 115.753906 MB of memory in use. ENERGY: 2121400 656.6571 1830.5763 1947.9934 95.8030 0.3077 -1072.2892 0.0000 0.0000 2675.8442 6134.8926 295.5545 3459.0483 6168.3703 296.4158 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: 8532.28, 0.00390827/step Wall: 8532.28, 0.00390827/step, 0.410802 hours remaining, 115.753906 MB of memory in use. ENERGY: 2121600 650.7456 1743.3555 1933.0301 95.9825 -0.3725 -1097.4152 0.0000 0.0000 2769.9082 6095.2342 305.9441 3325.3260 6133.8237 294.5343 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: 8533.07, 0.00391147/step Wall: 8533.07, 0.00391148/step, 0.410923 hours remaining, 115.753906 MB of memory in use. ENERGY: 2121800 646.0402 1838.0297 1942.2905 89.2607 0.6405 -1092.9544 0.0000 0.0000 2717.3143 6140.6214 300.1349 3423.3072 6174.2371 295.2086 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: 8533.85, 0.00391137/step Wall: 8533.85, 0.00391137/step, 0.410694 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2122000 644.7473 1834.6581 1954.4637 109.1246 0.0437 -1093.3694 0.0000 0.0000 2726.5183 6176.1863 301.1515 3449.6680 6212.5451 297.6162 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: 8534.63, 0.00391188/step Wall: 8534.63, 0.00391188/step, 0.41053 hours remaining, 115.753906 MB of memory in use. ENERGY: 2122200 648.8481 1856.6322 1950.2782 105.1117 0.3840 -1095.0296 0.0000 0.0000 2695.0394 6161.2640 297.6746 3466.2246 6195.5553 297.0066 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: 8535.41, 0.00391254/step Wall: 8535.41, 0.00391254/step, 0.410382 hours remaining, 115.753906 MB of memory in use. ENERGY: 2122400 645.0519 1865.0315 1938.3482 105.2737 0.4511 -1067.1966 0.0000 0.0000 2678.7011 6165.6609 295.8700 3486.9598 6197.3409 299.0460 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: 8536.19, 0.00391074/step Wall: 8536.19, 0.00391074/step, 0.409976 hours remaining, 115.753906 MB of memory in use. ENERGY: 2122600 652.7199 1876.1153 1954.0907 113.2499 -0.0467 -1095.5353 0.0000 0.0000 2686.6969 6187.2906 296.7532 3500.5937 6221.7390 297.3174 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: 8536.98, 0.00391464/step Wall: 8536.98, 0.00391464/step, 0.410167 hours remaining, 115.753906 MB of memory in use. ENERGY: 2122800 637.2021 1828.7657 1949.3078 102.1894 0.2063 -1088.0667 0.0000 0.0000 2751.7714 6181.3760 303.9408 3429.6046 6217.0628 299.2050 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: 8537.76, 0.00391153/step Wall: 8537.76, 0.00391153/step, 0.409624 hours remaining, 115.753906 MB of memory in use. ENERGY: 2123000 645.5677 1819.0190 1952.7944 110.2360 0.6493 -1054.1978 0.0000 0.0000 2737.9183 6211.9868 302.4107 3474.0685 6247.1409 300.0977 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: 8538.54, 0.00391398/step Wall: 8538.54, 0.00391398/step, 0.409664 hours remaining, 115.753906 MB of memory in use. ENERGY: 2123200 662.4288 1825.1775 1954.3279 104.7875 0.8907 -1064.5565 0.0000 0.0000 2713.5848 6196.6408 299.7230 3483.0560 6232.4386 301.6706 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: 8539.33, 0.00391304/step Wall: 8539.33, 0.00391304/step, 0.409347 hours remaining, 115.753906 MB of memory in use. ENERGY: 2123400 651.0462 1846.9227 1950.9847 114.9598 0.1824 -1095.7420 0.0000 0.0000 2732.4657 6200.8195 301.8084 3468.3538 6235.2353 300.9368 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: 8540.11, 0.00391365/step Wall: 8540.11, 0.00391365/step, 0.409194 hours remaining, 115.753906 MB of memory in use. ENERGY: 2123600 662.7690 1823.9531 1950.4273 102.2447 -0.1917 -1079.6564 0.0000 0.0000 2717.8327 6177.3787 300.1922 3459.5460 6209.5039 299.2281 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: 8540.89, 0.0039178/step Wall: 8540.89, 0.0039178/step, 0.409411 hours remaining, 115.753906 MB of memory in use. ENERGY: 2123800 653.8827 1771.7370 1947.8610 100.4881 0.7978 -1099.9516 0.0000 0.0000 2732.0461 6106.8611 301.7621 3374.8151 6141.9997 296.0817 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: 8541.67, 0.00391533/step Wall: 8541.67, 0.00391533/step, 0.408934 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2124000 677.0570 1829.3284 1939.9228 98.6107 0.7814 -1107.6740 0.0000 0.0000 2712.2070 6150.2332 299.5708 3438.0262 6181.9005 296.2251 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: 8542.46, 0.00391552/step Wall: 8542.46, 0.00391552/step, 0.408737 hours remaining, 115.753906 MB of memory in use. ENERGY: 2124200 612.0856 1830.7551 1981.4972 98.9075 -0.1973 -1092.1773 0.0000 0.0000 2667.5917 6098.4625 294.6429 3430.8708 6128.8940 296.6138 LDB: ============= START OF LOAD BALANCING ============== 8545.16 LDB: ============== END OF LOAD BALANCING =============== 8545.16 LDB: =============== DONE WITH MIGRATION ================ 8545.16 LDB: ============= START OF LOAD BALANCING ============== 8545.55 LDB: ============== END OF LOAD BALANCING =============== 8545.55 LDB: =============== DONE WITH MIGRATION ================ 8545.55 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: 8543.24, 0.00391333/step Wall: 8543.24, 0.00391333/step, 0.408291 hours remaining, 115.753906 MB of memory in use. ENERGY: 2124400 633.3807 1877.3320 1970.1417 92.7910 -0.1510 -1116.7523 0.0000 0.0000 2678.1157 6134.8577 295.8053 3456.7421 6166.7710 297.1710 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: 8544.02, 0.00391214/step Wall: 8544.02, 0.00391214/step, 0.40795 hours remaining, 115.753906 MB of memory in use. ENERGY: 2124600 648.7622 1820.6025 1932.6467 115.4865 -0.8327 -1102.4359 0.0000 0.0000 2700.4557 6114.6849 298.2729 3414.2292 6150.0671 297.8252 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: 8544.81, 0.0039151/step Wall: 8544.81, 0.0039151/step, 0.40804 hours remaining, 115.753906 MB of memory in use. ENERGY: 2124800 641.7098 1808.0501 1954.6808 109.1938 0.2260 -1050.5349 0.0000 0.0000 2672.4908 6135.8164 295.1841 3463.3256 6166.5739 295.2691 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: 8545.59, 0.00391188/step Wall: 8545.59, 0.00391188/step, 0.407488 hours remaining, 115.753906 MB of memory in use. ENERGY: 2125000 634.3369 1823.1208 1978.0016 98.5116 0.9227 -1092.6098 0.0000 0.0000 2733.9707 6176.2545 301.9747 3442.2838 6211.8026 297.5544 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: 8546.37, 0.00391348/step Wall: 8546.37, 0.00391348/step, 0.407436 hours remaining, 115.753906 MB of memory in use. ENERGY: 2125200 649.1611 1865.9011 1954.8629 107.9319 0.3249 -1082.3856 0.0000 0.0000 2654.5229 6150.3193 293.1994 3495.7964 6181.5188 298.1242 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: 8547.15, 0.00390942/step Wall: 8547.15, 0.00390942/step, 0.406797 hours remaining, 115.753906 MB of memory in use. ENERGY: 2125400 664.7143 1793.8903 1940.5801 110.2576 -0.1427 -1041.4107 0.0000 0.0000 2662.0358 6129.9248 294.0293 3467.8890 6163.8102 298.0503 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: 8547.94, 0.00391186/step Wall: 8547.94, 0.00391186/step, 0.406834 hours remaining, 115.753906 MB of memory in use. ENERGY: 2125600 654.2161 1818.4511 1911.9013 105.8647 -0.2744 -1059.2007 0.0000 0.0000 2618.7440 6049.7021 289.2476 3430.9581 6081.1354 293.1424 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: 8548.72, 0.00391471/step Wall: 8548.72, 0.00391471/step, 0.406912 hours remaining, 115.753906 MB of memory in use. ENERGY: 2125800 653.8781 1838.0294 1920.6437 107.6686 0.5660 -1090.7251 0.0000 0.0000 2651.6169 6081.6776 292.8785 3430.0607 6112.5753 291.0321 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: 8549.5, 0.00391287/step Wall: 8549.5, 0.00391287/step, 0.406504 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2126000 639.5655 1799.3359 1946.1543 108.4306 -0.3568 -1061.6165 0.0000 0.0000 2652.1092 6083.6221 292.9328 3431.5129 6119.2308 292.5393 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: 8550.28, 0.00390962/step Wall: 8550.28, 0.00390962/step, 0.405948 hours remaining, 115.753906 MB of memory in use. ENERGY: 2126200 670.2889 1823.4681 1961.8438 102.4150 0.6602 -1077.3210 0.0000 0.0000 2633.2472 6114.6021 290.8495 3481.3549 6145.2327 294.3248 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: 8551.07, 0.00391378/step Wall: 8551.07, 0.00391378/step, 0.406164 hours remaining, 115.753906 MB of memory in use. ENERGY: 2126400 629.6994 1885.0166 1970.6991 105.9153 0.5978 -1107.1265 0.0000 0.0000 2679.5152 6164.3168 295.9599 3484.8015 6197.9994 296.1283 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: 8551.85, 0.00391404/step Wall: 8551.85, 0.00391404/step, 0.405973 hours remaining, 115.753906 MB of memory in use. ENERGY: 2126600 669.1952 1829.2059 1959.2597 103.5438 -0.8930 -1114.3168 0.0000 0.0000 2719.1270 6165.1217 300.3352 3445.9947 6199.2350 297.3776 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: 8552.63, 0.00391453/step Wall: 8552.63, 0.00391453/step, 0.405806 hours remaining, 115.753906 MB of memory in use. ENERGY: 2126800 672.8193 1858.3631 1946.6802 104.1635 0.1701 -1077.3656 0.0000 0.0000 2647.4135 6152.2441 292.4142 3504.8306 6183.2317 297.8162 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: 8553.41, 0.0039134/step Wall: 8553.41, 0.0039134/step, 0.405472 hours remaining, 115.753906 MB of memory in use. ENERGY: 2127000 659.8945 1816.3617 1961.3336 110.9042 1.3043 -1112.8326 0.0000 0.0000 2703.3590 6140.3246 298.5935 3436.9657 6175.4262 297.9659 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: 8554.2, 0.00391108/step Wall: 8554.2, 0.00391108/step, 0.405014 hours remaining, 115.753906 MB of memory in use. ENERGY: 2127200 647.1169 1859.9109 1925.6237 106.0983 0.3086 -1055.4073 0.0000 0.0000 2678.5320 6162.1831 295.8513 3483.6511 6193.5124 298.3928 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: 8554.98, 0.00391355/step Wall: 8554.98, 0.00391355/step, 0.405052 hours remaining, 115.753906 MB of memory in use. ENERGY: 2127400 670.7517 1901.9533 1957.1516 104.6047 -0.2561 -1119.4733 0.0000 0.0000 2629.2795 6144.0114 290.4112 3514.7320 6175.9505 295.5182 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: 8555.76, 0.00391266/step Wall: 8555.76, 0.00391266/step, 0.404743 hours remaining, 115.753906 MB of memory in use. ENERGY: 2127600 638.2075 1821.7630 1975.5073 102.7070 0.2409 -1078.5281 0.0000 0.0000 2676.8698 6136.7674 295.6677 3459.8976 6169.6579 296.5560 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: 8556.54, 0.0039128/step Wall: 8556.54, 0.0039128/step, 0.40454 hours remaining, 115.753906 MB of memory in use. ENERGY: 2127800 677.6039 1897.3130 1928.5614 102.9003 0.4665 -1116.3615 0.0000 0.0000 2715.7528 6206.2365 299.9625 3490.4837 6235.9414 298.5993 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: 8557.33, 0.00391034/step Wall: 8557.33, 0.00391034/step, 0.404068 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2128000 675.0900 1899.7779 1944.9773 111.9156 1.6961 -1096.9300 0.0000 0.0000 2676.0096 6212.5364 295.5727 3536.5269 6241.9690 299.6324 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: 8558.11, 0.00392974/step Wall: 8558.11, 0.00392974/step, 0.405855 hours remaining, 115.753906 MB of memory in use. ENERGY: 2128200 621.9902 1860.9650 1952.0509 122.6748 1.6743 -1081.0237 0.0000 0.0000 2690.7762 6169.1077 297.2037 3478.3315 6202.6014 298.5403 LDB: ============= START OF LOAD BALANCING ============== 8560.81 LDB: ============== END OF LOAD BALANCING =============== 8560.81 LDB: =============== DONE WITH MIGRATION ================ 8560.81 LDB: ============= START OF LOAD BALANCING ============== 8561.2 LDB: ============== END OF LOAD BALANCING =============== 8561.2 LDB: =============== DONE WITH MIGRATION ================ 8561.2 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: 8558.9, 0.00391992/step Wall: 8558.9, 0.00391992/step, 0.404623 hours remaining, 115.753906 MB of memory in use. ENERGY: 2128400 658.4999 1871.6529 1967.0705 119.5169 1.4008 -1092.1601 0.0000 0.0000 2665.7515 6191.7325 294.4397 3525.9810 6223.2167 298.5787 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: 8559.68, 0.00391263/step Wall: 8559.68, 0.00391263/step, 0.403653 hours remaining, 115.753906 MB of memory in use. ENERGY: 2128600 659.1809 1892.4849 1945.7399 106.3860 1.4444 -1103.7762 0.0000 0.0000 2713.4141 6214.8741 299.7041 3501.4599 6244.4612 300.5201 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: 8560.46, 0.00391415/step Wall: 8560.46, 0.00391415/step, 0.403593 hours remaining, 115.753906 MB of memory in use. ENERGY: 2128800 636.6755 1845.8079 1943.2437 113.9278 0.5727 -1096.7400 0.0000 0.0000 2779.1497 6222.6372 306.9648 3443.4876 6254.4141 302.3499 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: 8561.24, 0.00390853/step Wall: 8561.24, 0.00390853/step, 0.402796 hours remaining, 115.753906 MB of memory in use. ENERGY: 2129000 654.1364 1877.7314 1961.0739 103.6925 0.5361 -1115.5084 0.0000 0.0000 2784.5866 6266.2486 307.5654 3481.6620 6299.8777 305.1367 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: 8562.03, 0.00391447/step Wall: 8562.03, 0.00391447/step, 0.40319 hours remaining, 115.753906 MB of memory in use. ENERGY: 2129200 638.9959 1878.3362 1983.4647 128.8557 -0.6863 -1073.8350 0.0000 0.0000 2698.4725 6253.6036 298.0538 3555.1311 6285.9537 303.8330 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: 8562.81, 0.00391355/step Wall: 8562.81, 0.00391355/step, 0.402878 hours remaining, 115.753906 MB of memory in use. ENERGY: 2129400 726.0423 1812.4022 1980.0016 112.0374 0.2587 -1073.6292 0.0000 0.0000 2702.8397 6259.9528 298.5362 3557.1131 6288.4250 303.8466 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: 8563.59, 0.00391419/step Wall: 8563.59, 0.00391419/step, 0.402727 hours remaining, 115.753906 MB of memory in use. ENERGY: 2129600 732.1434 1868.7314 1950.5010 117.6935 -0.0674 -1117.4605 0.0000 0.0000 2731.2275 6282.7689 301.6717 3551.5414 6315.5314 303.4576 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: 8564.37, 0.00391284/step Wall: 8564.37, 0.00391284/step, 0.40237 hours remaining, 115.753906 MB of memory in use. ENERGY: 2129800 661.9145 1819.8483 1939.7747 120.6084 0.3409 -1076.0375 0.0000 0.0000 2788.7656 6255.2147 308.0269 3466.4492 6289.9901 304.4517 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: 8565.16, 0.00391329/step Wall: 8565.16, 0.00391329/step, 0.402199 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2130000 669.3063 1857.6252 1950.7693 111.2205 1.2203 -1085.3165 0.0000 0.0000 2700.4561 6205.2812 298.2729 3504.8251 6236.0987 302.3225 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2130000 WRITING COORDINATES TO DCD FILE MD.1.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: 8565.97, 0.00407293/step Wall: 8565.97, 0.00407293/step, 0.418381 hours remaining, 115.753906 MB of memory in use. ENERGY: 2130200 640.5425 1835.0010 1981.9335 110.5462 1.6766 -1088.8282 0.0000 0.0000 2762.6777 6243.5494 305.1454 3480.8717 6278.7284 302.7072 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: 8566.75, 0.00391018/step Wall: 8566.75, 0.00391018/step, 0.401445 hours remaining, 115.753906 MB of memory in use. ENERGY: 2130400 685.2592 1817.2975 1961.4980 102.5216 -0.1103 -1096.4242 0.0000 0.0000 2762.7857 6232.8276 305.1574 3470.0419 6266.3336 304.1149 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: 8567.54, 0.00390974/step Wall: 8567.54, 0.00390974/step, 0.401183 hours remaining, 115.753906 MB of memory in use. ENERGY: 2130600 618.6390 1865.1113 1959.1775 102.6659 0.5835 -1087.5921 0.0000 0.0000 2702.8455 6161.4305 298.5368 3458.5850 6193.6645 298.7289 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: 8568.32, 0.00390985/step Wall: 8568.32, 0.00390985/step, 0.400977 hours remaining, 115.753906 MB of memory in use. ENERGY: 2130800 671.2917 1811.7950 1944.9421 104.5494 -0.2555 -1091.7851 0.0000 0.0000 2683.9714 6124.5090 296.4521 3440.5376 6156.9414 295.8569 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: 8569.1, 0.00391074/step Wall: 8569.1, 0.00391074/step, 0.40085 hours remaining, 115.753906 MB of memory in use. ENERGY: 2131000 653.1544 1847.6697 1952.1193 101.6312 0.3586 -1067.1636 0.0000 0.0000 2656.8630 6144.6325 293.4579 3487.7695 6178.1102 296.3438 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: 8569.88, 0.00391138/step Wall: 8569.88, 0.00391138/step, 0.4007 hours remaining, 115.753906 MB of memory in use. ENERGY: 2131200 671.8651 1774.0540 1962.1200 102.0670 0.4172 -1075.6630 0.0000 0.0000 2738.2715 6173.1318 302.4497 3434.8603 6208.6414 297.8480 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: 8570.66, 0.00391163/step Wall: 8570.66, 0.00391163/step, 0.400508 hours remaining, 115.753906 MB of memory in use. ENERGY: 2131400 649.7126 1816.7747 1961.2043 104.1979 0.6903 -1067.8526 0.0000 0.0000 2706.1245 6170.8517 298.8990 3464.7272 6204.1862 299.5507 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: 8571.45, 0.00391135/step Wall: 8571.45, 0.00391135/step, 0.400262 hours remaining, 115.753906 MB of memory in use. ENERGY: 2131600 674.8925 1837.3974 1957.5887 102.7889 0.9310 -1117.3118 0.0000 0.0000 2723.4470 6179.7337 300.8123 3456.2866 6214.8290 299.3178 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: 8572.23, 0.00391051/step Wall: 8572.23, 0.00391051/step, 0.399958 hours remaining, 115.753906 MB of memory in use. ENERGY: 2131800 641.9147 1814.9198 1943.6897 103.0560 0.4845 -1059.6072 0.0000 0.0000 2683.3355 6127.7931 296.3819 3444.4576 6162.7075 297.6921 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: 8573.01, 0.00391102/step Wall: 8573.01, 0.00391102/step, 0.399793 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2132000 668.4129 1842.3785 1954.9619 111.0507 0.9078 -1076.5752 0.0000 0.0000 2683.6801 6184.8167 296.4199 3501.1366 6216.4201 297.1097 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: 8573.79, 0.00391431/step Wall: 8573.79, 0.00391431/step, 0.399912 hours remaining, 115.753906 MB of memory in use. ENERGY: 2132200 676.7262 1880.8314 1950.8863 103.3951 0.3976 -1092.6706 0.0000 0.0000 2711.2977 6230.8637 299.4704 3519.5660 6264.5051 299.0502 LDB: ============= START OF LOAD BALANCING ============== 8576.49 LDB: ============== END OF LOAD BALANCING =============== 8576.49 LDB: =============== DONE WITH MIGRATION ================ 8576.49 LDB: ============= START OF LOAD BALANCING ============== 8576.89 LDB: ============== END OF LOAD BALANCING =============== 8576.89 LDB: =============== DONE WITH MIGRATION ================ 8576.89 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: 8574.58, 0.00391803/step Wall: 8574.58, 0.00391803/step, 0.400074 hours remaining, 115.753906 MB of memory in use. ENERGY: 2132400 671.2534 1856.9892 1968.8095 96.6853 0.2747 -1088.4992 0.0000 0.0000 2745.0275 6250.5403 303.1959 3505.5128 6281.0286 302.3708 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: 8575.36, 0.00391217/step Wall: 8575.36, 0.00391217/step, 0.399259 hours remaining, 115.753906 MB of memory in use. ENERGY: 2132600 637.6895 1811.5961 1965.6796 107.9760 0.4904 -1041.3301 0.0000 0.0000 2726.2281 6208.3296 301.1195 3482.1016 6239.1271 300.9522 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: 8576.14, 0.00391282/step Wall: 8576.14, 0.00391282/step, 0.399108 hours remaining, 115.753906 MB of memory in use. ENERGY: 2132800 677.2477 1847.8601 1973.5889 109.7521 0.3149 -1110.4353 0.0000 0.0000 2728.8116 6227.1400 301.4048 3498.3284 6262.8428 300.3666 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: 8576.92, 0.00391342/step Wall: 8576.92, 0.00391341/step, 0.39895 hours remaining, 115.753906 MB of memory in use. ENERGY: 2133000 675.9475 1851.8302 1976.7642 109.1624 0.7499 -1079.1330 0.0000 0.0000 2692.9225 6228.2437 297.4408 3535.3212 6260.3846 300.3953 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: 8577.71, 0.00391235/step Wall: 8577.71, 0.00391236/step, 0.398626 hours remaining, 115.753906 MB of memory in use. ENERGY: 2133200 658.2867 1779.8217 1969.1314 120.7844 1.2284 -1078.7123 0.0000 0.0000 2804.9261 6255.4664 309.8119 3450.5402 6292.0064 301.5115 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: 8578.49, 0.00391411/step Wall: 8578.49, 0.00391411/step, 0.398587 hours remaining, 115.753906 MB of memory in use. ENERGY: 2133400 626.6149 1863.6091 1944.4910 119.0242 0.5115 -1089.1119 0.0000 0.0000 2755.4400 6220.5788 304.3460 3465.1388 6254.0436 300.8520 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: 8579.27, 0.00391039/step Wall: 8579.27, 0.00391039/step, 0.397991 hours remaining, 115.753906 MB of memory in use. ENERGY: 2133600 604.2030 1852.0174 1968.5064 117.9365 1.9617 -1062.9174 0.0000 0.0000 2731.9443 6213.6519 301.7509 3481.7076 6249.9059 300.4996 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: 8580.05, 0.00391366/step Wall: 8580.05, 0.00391366/step, 0.398106 hours remaining, 115.753906 MB of memory in use. ENERGY: 2133800 659.7499 1891.6052 1993.3056 114.6760 0.5946 -1094.6115 0.0000 0.0000 2717.4246 6282.7443 300.1471 3565.3197 6317.7171 300.1471 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: 8580.84, 0.00391427/step Wall: 8580.84, 0.00391427/step, 0.39795 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2134000 655.7236 1863.6846 1974.9277 102.3534 0.6065 -1089.8665 0.0000 0.0000 2775.8933 6283.3226 306.6051 3507.4293 6319.5339 303.1592 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: 8581.62, 0.00391361/step Wall: 8581.62, 0.00391361/step, 0.397666 hours remaining, 115.753906 MB of memory in use. ENERGY: 2134200 676.1722 1846.8802 1977.0923 125.3018 0.7959 -1105.5468 0.0000 0.0000 2723.8888 6244.5844 300.8611 3520.6956 6276.6981 301.9642 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: 8582.4, 0.00391223/step Wall: 8582.4, 0.00391223/step, 0.397309 hours remaining, 115.753906 MB of memory in use. ENERGY: 2134400 661.5684 1818.0230 1956.6285 102.7643 0.6587 -1051.9176 0.0000 0.0000 2751.3336 6239.0588 303.8925 3487.7253 6270.6177 300.7997 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: 8583.18, 0.00391168/step Wall: 8583.18, 0.00391168/step, 0.397036 hours remaining, 115.753906 MB of memory in use. ENERGY: 2134600 647.3196 1854.3960 1968.1554 95.7063 0.7984 -1092.9609 0.0000 0.0000 2722.0835 6195.4984 300.6617 3473.4148 6228.3518 300.7826 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: 8583.97, 0.00391262/step Wall: 8583.97, 0.00391262/step, 0.396913 hours remaining, 115.753906 MB of memory in use. ENERGY: 2134800 630.8054 1850.7688 1984.1251 102.5693 0.8157 -1063.0091 0.0000 0.0000 2714.6773 6220.7526 299.8437 3506.0752 6250.2392 300.2053 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: 8584.75, 0.00391133/step Wall: 8584.75, 0.00391133/step, 0.396566 hours remaining, 115.753906 MB of memory in use. ENERGY: 2135000 657.3955 1852.9771 1962.1376 101.1293 1.8480 -1065.4926 0.0000 0.0000 2675.8459 6185.8408 295.5546 3509.9950 6216.9864 298.2953 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: 8585.53, 0.00391169/step Wall: 8585.53, 0.00391169/step, 0.396384 hours remaining, 115.753906 MB of memory in use. ENERGY: 2135200 652.3320 1876.1260 1962.1794 112.5252 0.1615 -1081.9060 0.0000 0.0000 2640.2707 6161.6888 291.6253 3521.4181 6192.1145 295.9276 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: 8586.31, 0.00390995/step Wall: 8586.31, 0.00390995/step, 0.395991 hours remaining, 115.753906 MB of memory in use. ENERGY: 2135400 680.3148 1820.3585 1946.6765 100.7921 1.2727 -1053.3188 0.0000 0.0000 2662.9349 6159.0306 294.1286 3496.0958 6192.4927 295.8526 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: 8587.1, 0.00391061/step Wall: 8587.1, 0.00391061/step, 0.39584 hours remaining, 115.753906 MB of memory in use. ENERGY: 2135600 646.4991 1847.2991 1955.0376 119.7698 0.9590 -1051.4944 0.0000 0.0000 2680.1936 6198.2638 296.0349 3518.0702 6229.3289 298.7431 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: 8587.88, 0.00391167/step Wall: 8587.88, 0.00391167/step, 0.395731 hours remaining, 115.753906 MB of memory in use. ENERGY: 2135800 666.3908 1834.4897 1952.5645 98.4232 1.1521 -1049.0688 0.0000 0.0000 2682.8892 6186.8407 296.3326 3503.9515 6217.3452 299.8726 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: 8588.66, 0.00391382/step Wall: 8588.66, 0.00391382/step, 0.39573 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2136000 628.7368 1809.9530 1962.3869 110.2739 1.5114 -1041.5384 0.0000 0.0000 2670.2729 6141.5964 294.9391 3471.3236 6174.4578 296.7792 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: 8589.44, 0.00391368/step Wall: 8589.44, 0.00391368/step, 0.395499 hours remaining, 115.753906 MB of memory in use. ENERGY: 2136200 659.7875 1824.6265 1921.8016 108.7144 2.1508 -1034.9820 0.0000 0.0000 2680.8705 6162.9694 296.1096 3482.0988 6195.5167 296.6264 LDB: ============= START OF LOAD BALANCING ============== 8592.14 LDB: ============== END OF LOAD BALANCING =============== 8592.14 LDB: =============== DONE WITH MIGRATION ================ 8592.14 LDB: ============= START OF LOAD BALANCING ============== 8592.54 LDB: ============== END OF LOAD BALANCING =============== 8592.54 LDB: =============== DONE WITH MIGRATION ================ 8592.54 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: 8590.23, 0.0039309/step Wall: 8590.23, 0.0039309/step, 0.397021 hours remaining, 115.753906 MB of memory in use. ENERGY: 2136400 646.3127 1808.3409 1953.1004 100.8959 1.3026 -1079.7784 0.0000 0.0000 2721.4337 6151.6077 300.5899 3430.1740 6184.0739 295.1622 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: 8591.01, 0.0039144/step Wall: 8591.01, 0.0039144/step, 0.395136 hours remaining, 115.753906 MB of memory in use. ENERGY: 2136600 671.9698 1844.6181 1929.5151 119.2273 0.9163 -1060.5720 0.0000 0.0000 2661.9143 6167.5889 294.0159 3505.6746 6197.7609 295.1915 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: 8591.8, 0.00391334/step Wall: 8591.8, 0.00391334/step, 0.394812 hours remaining, 115.753906 MB of memory in use. ENERGY: 2136800 649.7932 1851.4927 1977.3843 108.9183 0.2005 -1082.8329 0.0000 0.0000 2713.1449 6218.1009 299.6744 3504.9561 6250.2082 299.2800 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: 8592.58, 0.00391245/step Wall: 8592.58, 0.00391245/step, 0.394506 hours remaining, 115.753906 MB of memory in use. ENERGY: 2137000 672.6576 1863.0106 1935.2499 102.4893 1.2739 -1083.4968 0.0000 0.0000 2745.4529 6236.6375 303.2429 3491.1846 6271.3945 301.8032 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: 8593.36, 0.00391062/step Wall: 8593.36, 0.00391062/step, 0.394103 hours remaining, 115.753906 MB of memory in use. ENERGY: 2137200 666.2121 1810.2821 1981.6443 115.8933 1.7715 -1031.8919 0.0000 0.0000 2720.4079 6264.3194 300.4766 3543.9115 6298.5878 302.0410 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: 8594.14, 0.00391229/step Wall: 8594.14, 0.00391229/step, 0.394055 hours remaining, 115.753906 MB of memory in use. ENERGY: 2137400 674.1396 1920.6163 1976.9640 110.1034 2.2182 -1068.8781 0.0000 0.0000 2731.0407 6346.2041 301.6511 3615.1634 6377.5375 304.3329 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: 8594.93, 0.00391333/step Wall: 8594.93, 0.00391333/step, 0.393942 hours remaining, 115.753906 MB of memory in use. ENERGY: 2137600 662.6242 1940.6186 1959.6338 108.1586 1.7798 -1107.5039 0.0000 0.0000 2801.0622 6366.3733 309.3851 3565.3111 6398.1770 307.1918 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: 8595.71, 0.00391276/step Wall: 8595.71, 0.00391276/step, 0.393667 hours remaining, 115.753906 MB of memory in use. ENERGY: 2137800 672.4692 1915.1275 1974.2180 120.2342 0.4489 -1117.7058 0.0000 0.0000 2743.6343 6308.4262 303.0420 3564.7920 6341.4798 307.6605 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: 8596.49, 0.00391375/step Wall: 8596.49, 0.00391375/step, 0.39355 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2138000 651.3008 1883.4292 1977.3103 121.6581 0.8322 -1095.2554 0.0000 0.0000 2747.7565 6287.0317 303.4974 3539.2752 6322.0325 303.1168 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: 8597.27, 0.00390915/step Wall: 8597.27, 0.00390915/step, 0.39287 hours remaining, 115.753906 MB of memory in use. ENERGY: 2138200 635.6017 1910.1513 1961.6321 139.1456 0.4962 -1075.9567 0.0000 0.0000 2773.6681 6344.7383 306.3594 3571.0702 6379.8548 304.9424 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: 8598.06, 0.00392141/step Wall: 8598.06, 0.00392141/step, 0.393884 hours remaining, 115.753906 MB of memory in use. ENERGY: 2138400 698.4297 1873.1720 1978.1359 106.8371 1.0958 -1082.2597 0.0000 0.0000 2721.2189 6296.6297 300.5662 3575.4108 6328.0660 305.8040 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: 8598.84, 0.00391248/step Wall: 8598.84, 0.00391248/step, 0.392769 hours remaining, 115.753906 MB of memory in use. ENERGY: 2138600 712.3198 1847.5092 1955.4045 124.9018 2.8071 -1090.6686 0.0000 0.0000 2726.3795 6278.6533 301.1362 3552.2738 6308.4870 303.5904 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: 8599.62, 0.00391354/step Wall: 8599.62, 0.00391353/step, 0.392658 hours remaining, 115.753906 MB of memory in use. ENERGY: 2138800 680.7665 1870.6602 1961.4678 106.5855 1.8920 -1075.6226 0.0000 0.0000 2702.1149 6247.8642 298.4561 3545.7493 6282.5273 301.9695 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: 8600.4, 0.00391101/step Wall: 8600.4, 0.00391101/step, 0.392187 hours remaining, 115.753906 MB of memory in use. ENERGY: 2139000 661.9912 1824.8553 1960.1611 100.7517 2.3884 -1081.7436 0.0000 0.0000 2730.2993 6198.7034 301.5692 3468.4041 6232.9158 299.6751 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: 8601.19, 0.00391327/step Wall: 8601.19, 0.00391327/step, 0.392197 hours remaining, 115.753906 MB of memory in use. ENERGY: 2139200 680.6056 1860.9758 1916.1473 116.9867 1.9683 -1079.4524 0.0000 0.0000 2675.5875 6172.8188 295.5261 3497.2313 6206.5593 297.3980 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: 8601.97, 0.0039143/step Wall: 8601.97, 0.0039143/step, 0.392082 hours remaining, 115.753906 MB of memory in use. ENERGY: 2139400 667.3216 1834.2594 1949.1440 114.3309 0.6987 -1109.8576 0.0000 0.0000 2698.0487 6153.9456 298.0070 3455.8970 6186.0872 297.7192 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: 8602.75, 0.00391362/step Wall: 8602.75, 0.00391362/step, 0.391797 hours remaining, 115.753906 MB of memory in use. ENERGY: 2139600 639.8479 1822.7353 1963.3235 102.2354 2.6477 -1092.7632 0.0000 0.0000 2712.8764 6150.9031 299.6448 3438.0267 6186.7269 298.7445 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: 8603.53, 0.00391161/step Wall: 8603.53, 0.00391161/step, 0.391378 hours remaining, 115.753906 MB of memory in use. ENERGY: 2139800 653.6492 1790.4380 1988.3736 106.4261 1.1114 -1078.4282 0.0000 0.0000 2678.1985 6139.7686 295.8145 3461.5701 6173.1335 295.0257 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: 8604.32, 0.003908/step Wall: 8604.32, 0.003908/step, 0.3908 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2140000 617.2350 1826.8935 1973.7608 116.5280 1.3503 -1081.6669 0.0000 0.0000 2706.1547 6160.2553 298.9023 3454.1006 6193.2804 293.8142 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2140000 WRITING COORDINATES TO DCD FILE MD.1.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: 8605.14, 0.00412921/step Wall: 8605.14, 0.00412921/step, 0.412692 hours remaining, 115.753906 MB of memory in use. ENERGY: 2140200 642.5386 1850.3501 1987.9534 112.1359 1.6744 -1094.8290 0.0000 0.0000 2688.0987 6187.9222 296.9080 3499.8235 6218.6917 297.3789 LDB: ============= START OF LOAD BALANCING ============== 8607.84 LDB: ============== END OF LOAD BALANCING =============== 8607.84 LDB: =============== DONE WITH MIGRATION ================ 8607.84 LDB: ============= START OF LOAD BALANCING ============== 8608.23 LDB: ============== END OF LOAD BALANCING =============== 8608.23 LDB: =============== DONE WITH MIGRATION ================ 8608.23 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: 8605.93, 0.00391843/step Wall: 8605.93, 0.00391842/step, 0.391407 hours remaining, 115.753906 MB of memory in use. ENERGY: 2140400 660.6555 1865.2689 1965.5581 108.9887 2.3596 -1073.1472 0.0000 0.0000 2580.5281 6110.2116 285.0265 3529.6835 6137.6061 296.2461 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: 8606.71, 0.00391381/step Wall: 8606.71, 0.00391381/step, 0.390729 hours remaining, 115.753906 MB of memory in use. ENERGY: 2140600 607.1787 1874.5411 1966.3929 113.7659 1.8293 -1108.3560 0.0000 0.0000 2731.7900 6187.1419 301.7338 3455.3518 6222.5933 295.9340 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: 8607.49, 0.00391344/step Wall: 8607.49, 0.00391344/step, 0.390474 hours remaining, 115.753906 MB of memory in use. ENERGY: 2140800 634.0971 1853.9192 1962.5124 97.4764 1.1719 -1108.9598 0.0000 0.0000 2742.7483 6182.9653 302.9442 3440.2170 6215.6071 299.6068 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: 8608.27, 0.00390829/step Wall: 8608.27, 0.00390829/step, 0.389743 hours remaining, 115.753906 MB of memory in use. ENERGY: 2141000 648.5392 1835.9125 1965.4548 107.2818 1.2740 -1095.9907 0.0000 0.0000 2708.7651 6171.2366 299.1906 3462.4715 6203.3314 300.0745 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: 8609.06, 0.00391502/step Wall: 8609.06, 0.00391502/step, 0.390197 hours remaining, 115.753906 MB of memory in use. ENERGY: 2141200 678.8635 1864.5820 1957.3695 109.6510 -0.1852 -1075.2703 0.0000 0.0000 2650.5972 6185.6076 292.7658 3535.0104 6216.1926 298.1810 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: 8609.84, 0.00391374/step Wall: 8609.84, 0.00391374/step, 0.389852 hours remaining, 115.753906 MB of memory in use. ENERGY: 2141400 629.4808 1876.1261 1985.1875 94.6951 1.9584 -1054.6550 0.0000 0.0000 2732.7507 6265.5435 301.8399 3532.7928 6298.2246 300.4340 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: 8610.62, 0.00391425/step Wall: 8610.62, 0.00391425/step, 0.389685 hours remaining, 115.753906 MB of memory in use. ENERGY: 2141600 643.4234 1818.2880 1958.1269 105.5026 2.6897 -1087.3129 0.0000 0.0000 2748.5983 6189.3161 303.5903 3440.7178 6225.0326 299.6476 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: 8611.4, 0.00390765/step Wall: 8611.4, 0.00390765/step, 0.388811 hours remaining, 115.753906 MB of memory in use. ENERGY: 2141800 655.7944 1828.3384 1932.7305 95.8385 1.9312 -1046.5041 0.0000 0.0000 2747.0240 6215.1529 303.4165 3468.1289 6248.3999 300.7173 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: 8612.19, 0.00391156/step Wall: 8612.19, 0.00391156/step, 0.388983 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2142000 664.1779 1865.9519 1958.7928 110.5930 0.5722 -1061.5752 0.0000 0.0000 2681.6921 6220.2047 296.2004 3538.5126 6252.7927 299.7356 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: 8612.97, 0.003913/step Wall: 8612.97, 0.003913/step, 0.388909 hours remaining, 115.753906 MB of memory in use. ENERGY: 2142200 644.2188 1897.9993 1942.5854 110.5067 1.9555 -1058.3494 0.0000 0.0000 2771.1823 6310.0986 306.0848 3538.9163 6342.3879 305.4519 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: 8613.75, 0.00391189/step Wall: 8613.75, 0.00391189/step, 0.388581 hours remaining, 115.753906 MB of memory in use. ENERGY: 2142400 659.4852 1902.0034 1961.8326 108.7355 2.6226 -1059.6218 0.0000 0.0000 2744.1191 6319.1766 303.0956 3575.0575 6353.3675 305.8168 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: 8614.53, 0.00391273/step Wall: 8614.53, 0.00391273/step, 0.388447 hours remaining, 115.753906 MB of memory in use. ENERGY: 2142600 667.3123 1893.4974 1942.6997 116.3528 3.0006 -1058.7194 0.0000 0.0000 2786.9315 6351.0749 307.8243 3564.1435 6388.1488 306.3336 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: 8615.31, 0.00390756/step Wall: 8615.31, 0.00390756/step, 0.387717 hours remaining, 115.753906 MB of memory in use. ENERGY: 2142800 663.8205 1868.4897 1956.2865 116.6795 1.3282 -1072.0173 0.0000 0.0000 2810.8450 6345.4320 310.4657 3534.5870 6381.3796 309.0728 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: 8616.1, 0.00391196/step Wall: 8616.1, 0.00391196/step, 0.387937 hours remaining, 115.753906 MB of memory in use. ENERGY: 2143000 668.1420 1888.4211 1951.3373 127.0828 2.2783 -1085.3316 0.0000 0.0000 2779.6759 6331.6056 307.0229 3551.9298 6364.8823 308.1471 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: 8616.88, 0.00391324/step Wall: 8616.88, 0.00391324/step, 0.387846 hours remaining, 115.753906 MB of memory in use. ENERGY: 2143200 670.2250 1886.4117 1962.8888 103.7341 2.8192 -1064.0527 0.0000 0.0000 2751.0416 6313.0677 303.8602 3562.0261 6344.3169 305.1815 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: 8617.66, 0.00391243/step Wall: 8617.66, 0.00391243/step, 0.387547 hours remaining, 115.753906 MB of memory in use. ENERGY: 2143400 655.5820 1836.4795 1990.8081 116.5538 2.3035 -1072.8200 0.0000 0.0000 2788.1885 6317.0953 307.9632 3528.9068 6350.6461 305.7831 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: 8618.44, 0.00390886/step Wall: 8618.44, 0.00390886/step, 0.386977 hours remaining, 115.753906 MB of memory in use. ENERGY: 2143600 662.6537 1853.1725 1954.0651 119.0820 2.7324 -1075.4377 0.0000 0.0000 2769.5853 6285.8535 305.9084 3516.2682 6315.9780 306.5702 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: 8619.23, 0.00391469/step Wall: 8619.23, 0.00391469/step, 0.387337 hours remaining, 115.753906 MB of memory in use. ENERGY: 2143800 636.6105 1853.9210 1955.3909 116.8679 2.4047 -1087.3240 0.0000 0.0000 2784.7596 6262.6306 307.5845 3477.8710 6296.1976 303.4037 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: 8620.01, 0.0039151/step Wall: 8620.01, 0.0039151/step, 0.387159 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2144000 685.1381 1868.2182 1936.2400 102.6984 2.7150 -1094.0598 0.0000 0.0000 2779.1145 6280.0643 306.9609 3500.9499 6316.2939 302.9176 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: 8620.79, 0.00391492/step Wall: 8620.79, 0.00391492/step, 0.386925 hours remaining, 115.753906 MB of memory in use. ENERGY: 2144200 674.4115 1848.3225 1964.0363 104.3985 1.7909 -1069.1304 0.0000 0.0000 2778.1326 6301.9620 306.8525 3523.8293 6337.1002 305.1710 LDB: ============= START OF LOAD BALANCING ============== 8623.49 LDB: ============== END OF LOAD BALANCING =============== 8623.49 LDB: =============== DONE WITH MIGRATION ================ 8623.49 LDB: ============= START OF LOAD BALANCING ============== 8623.89 LDB: ============== END OF LOAD BALANCING =============== 8623.89 LDB: =============== DONE WITH MIGRATION ================ 8623.89 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: 8621.58, 0.0039181/step Wall: 8621.58, 0.0039181/step, 0.387022 hours remaining, 115.753906 MB of memory in use. ENERGY: 2144400 633.7455 1853.8223 1954.8025 94.4040 2.1571 -1056.1696 0.0000 0.0000 2810.7813 6293.5431 310.4586 3482.7618 6329.7554 306.5255 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: 8622.36, 0.0039084/step Wall: 8622.36, 0.0039084/step, 0.385846 hours remaining, 115.753906 MB of memory in use. ENERGY: 2144600 687.1375 1873.2719 1948.6809 106.1910 0.9757 -1074.8534 0.0000 0.0000 2726.7366 6268.1402 301.1757 3541.4036 6301.5200 304.9886 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: 8623.14, 0.00391649/step Wall: 8623.14, 0.00391649/step, 0.386427 hours remaining, 115.753906 MB of memory in use. ENERGY: 2144800 646.2102 1905.9766 1933.3053 111.7009 2.1426 -1070.2113 0.0000 0.0000 2756.8816 6286.0058 304.5052 3529.1242 6315.7873 301.6783 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: 8623.92, 0.00391716/step Wall: 8623.92, 0.00391716/step, 0.386276 hours remaining, 115.753906 MB of memory in use. ENERGY: 2145000 686.7022 1824.5840 1944.0811 122.0826 2.7794 -1067.2831 0.0000 0.0000 2825.3420 6338.2882 312.0669 3512.9463 6371.7574 306.3933 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: 8624.71, 0.0039173/step Wall: 8624.71, 0.0039173/step, 0.386072 hours remaining, 115.753906 MB of memory in use. ENERGY: 2145200 665.6162 1876.5552 1955.7731 108.9208 2.5447 -1076.6279 0.0000 0.0000 2826.0044 6358.7866 312.1401 3532.7822 6391.5756 307.2202 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: 8625.49, 0.00390931/step Wall: 8625.49, 0.00390931/step, 0.385067 hours remaining, 115.753906 MB of memory in use. ENERGY: 2145400 691.9481 1827.0287 1966.6829 118.5268 2.3831 -1062.3969 0.0000 0.0000 2742.8465 6287.0193 302.9550 3544.1728 6321.5786 307.3721 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: 8626.27, 0.00391781/step Wall: 8626.27, 0.00391781/step, 0.385687 hours remaining, 115.753906 MB of memory in use. ENERGY: 2145600 671.1780 1855.2258 1983.8921 116.6412 0.9551 -1053.7778 0.0000 0.0000 2742.3898 6316.5043 302.9046 3574.1145 6350.6292 306.3127 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: 8627.06, 0.00391574/step Wall: 8627.06, 0.00391574/step, 0.385265 hours remaining, 115.753906 MB of memory in use. ENERGY: 2145800 678.6385 1892.5056 1961.8975 98.1514 0.9202 -1089.2298 0.0000 0.0000 2750.6787 6293.5619 303.8201 3542.8833 6327.8031 305.5732 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: 8627.84, 0.00391626/step Wall: 8627.84, 0.00391626/step, 0.385099 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2146000 657.0119 1879.6758 1976.3898 111.7673 1.1669 -1078.5647 0.0000 0.0000 2763.2405 6310.6875 305.2076 3547.4470 6344.1673 307.5135 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: 8628.62, 0.00391589/step Wall: 8628.62, 0.00391589/step, 0.384845 hours remaining, 115.753906 MB of memory in use. ENERGY: 2146200 635.3299 1906.8932 1951.7778 111.5406 0.2916 -1086.3711 0.0000 0.0000 2757.3669 6276.8288 304.5589 3519.4619 6309.9590 305.0645 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: 8629.41, 0.00391081/step Wall: 8629.41, 0.00391081/step, 0.384128 hours remaining, 115.753906 MB of memory in use. ENERGY: 2146400 653.5363 1870.0430 1952.4183 116.0776 1.4725 -1114.4873 0.0000 0.0000 2775.4306 6254.4910 306.5540 3479.0604 6288.4579 302.9862 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: 8630.19, 0.00391653/step Wall: 8630.19, 0.00391653/step, 0.384473 hours remaining, 115.753906 MB of memory in use. ENERGY: 2146600 654.3636 1864.0221 1955.7283 111.0818 1.4570 -1080.3730 0.0000 0.0000 2773.8400 6280.1198 306.3783 3506.2799 6314.4200 303.4811 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: 8630.97, 0.00391703/step Wall: 8630.97, 0.00391703/step, 0.384305 hours remaining, 115.753906 MB of memory in use. ENERGY: 2146800 668.8733 1841.5215 1959.9428 116.7441 1.5306 -1103.0048 0.0000 0.0000 2777.1854 6262.7929 306.7479 3485.6075 6300.1088 303.9176 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: 8631.76, 0.00391812/step Wall: 8631.76, 0.00391812/step, 0.384193 hours remaining, 115.753906 MB of memory in use. ENERGY: 2147000 674.4545 1895.8458 1960.9060 96.7067 1.8186 -1102.8047 0.0000 0.0000 2749.5773 6276.5043 303.6985 3526.9270 6307.2034 304.7682 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: 8632.54, 0.00391551/step Wall: 8632.54, 0.0039155/step, 0.383719 hours remaining, 115.753906 MB of memory in use. ENERGY: 2147200 668.0104 1820.4120 1976.4145 111.7691 1.5508 -1099.0395 0.0000 0.0000 2728.6875 6207.8049 301.3911 3479.1174 6242.0112 302.6657 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: 8633.32, 0.003908/step Wall: 8633.32, 0.003908/step, 0.382767 hours remaining, 115.753906 MB of memory in use. ENERGY: 2147400 634.3336 1848.3119 1981.8820 113.0211 2.5349 -1075.5921 0.0000 0.0000 2727.3317 6231.8231 301.2414 3504.4913 6265.8267 300.9872 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: 8634.1, 0.00391447/step Wall: 8634.1, 0.00391447/step, 0.383183 hours remaining, 115.753906 MB of memory in use. ENERGY: 2147600 666.5212 1844.0155 1934.5360 109.7741 2.7660 -1082.8648 0.0000 0.0000 2757.9255 6232.6735 304.6206 3474.7480 6267.7974 302.1756 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: 8634.89, 0.00391594/step Wall: 8634.89, 0.00391594/step, 0.38311 hours remaining, 115.753906 MB of memory in use. ENERGY: 2147800 690.1455 1890.0475 1928.6133 115.6185 2.6445 -1110.7226 0.0000 0.0000 2722.1070 6238.4538 300.6643 3516.3467 6267.0291 301.4167 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: 8635.67, 0.00391598/step Wall: 8635.67, 0.00391598/step, 0.382895 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2148000 671.0740 1822.2340 1932.8862 100.5313 1.2960 -1123.1203 0.0000 0.0000 2829.6554 6234.5566 312.5433 3404.9012 6271.9183 303.8811 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: 8636.45, 0.00391135/step Wall: 8636.45, 0.00391135/step, 0.382226 hours remaining, 115.753906 MB of memory in use. ENERGY: 2148200 616.6776 1881.1692 1971.9745 103.8638 2.4608 -1086.1755 0.0000 0.0000 2709.2723 6199.2426 299.2467 3489.9703 6233.1951 300.2919 LDB: ============= START OF LOAD BALANCING ============== 8639.15 LDB: ============== END OF LOAD BALANCING =============== 8639.15 LDB: =============== DONE WITH MIGRATION ================ 8639.15 LDB: ============= START OF LOAD BALANCING ============== 8639.55 LDB: ============== END OF LOAD BALANCING =============== 8639.55 LDB: =============== DONE WITH MIGRATION ================ 8639.55 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: 8637.24, 0.00392033/step Wall: 8637.24, 0.00392033/step, 0.382886 hours remaining, 115.753906 MB of memory in use. ENERGY: 2148400 660.1839 1861.8785 1982.0860 98.3317 2.4834 -1085.3953 0.0000 0.0000 2726.7194 6246.2876 301.1738 3519.5681 6282.0106 301.7532 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: 8638.02, 0.00392676/step Wall: 8638.02, 0.00392676/step, 0.383295 hours remaining, 115.753906 MB of memory in use. ENERGY: 2148600 672.8245 1833.7495 1969.1786 102.1028 2.7117 -1066.6675 0.0000 0.0000 2781.2820 6295.1818 307.2003 3513.8998 6332.1098 303.0179 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: 8638.8, 0.00391657/step Wall: 8638.8, 0.00391657/step, 0.382083 hours remaining, 115.753906 MB of memory in use. ENERGY: 2148800 641.9163 1900.7517 1981.7151 104.5714 3.3297 -1072.3627 0.0000 0.0000 2764.5949 6324.5165 305.3572 3559.9216 6360.0098 305.9996 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: 8639.59, 0.00391358/step Wall: 8639.59, 0.00391358/step, 0.381575 hours remaining, 115.753906 MB of memory in use. ENERGY: 2149000 674.0051 1886.0397 1967.3537 117.7434 2.9997 -1105.1080 0.0000 0.0000 2748.6307 6291.6643 303.5939 3543.0335 6325.3280 306.1224 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: 8640.37, 0.00390787/step Wall: 8640.37, 0.00390787/step, 0.380801 hours remaining, 115.753906 MB of memory in use. ENERGY: 2149200 647.0689 1854.5557 1990.0171 128.0375 2.6182 -1074.2016 0.0000 0.0000 2768.2045 6316.3003 305.7559 3548.0958 6351.8812 304.9235 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: 8641.15, 0.00391357/step Wall: 8641.15, 0.00391357/step, 0.381138 hours remaining, 115.753906 MB of memory in use. ENERGY: 2149400 647.5620 1907.3262 1968.4893 109.7090 3.6480 -1077.4748 0.0000 0.0000 2792.5342 6351.7938 308.4432 3559.2596 6386.3825 305.9199 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: 8641.93, 0.00391315/step Wall: 8641.93, 0.00391315/step, 0.380879 hours remaining, 115.753906 MB of memory in use. ENERGY: 2149600 687.8163 1908.2929 1958.4178 115.3382 3.5021 -1086.7587 0.0000 0.0000 2745.7945 6332.4031 303.2807 3586.6086 6366.2828 306.5482 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: 8642.72, 0.00391453/step Wall: 8642.72, 0.00391453/step, 0.380797 hours remaining, 115.753906 MB of memory in use. ENERGY: 2149800 653.2560 1885.0276 1990.8340 108.7850 2.2833 -1065.2210 0.0000 0.0000 2717.2980 6292.2628 300.1331 3574.9648 6323.6472 306.0210 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: 8643.5, 0.00390911/step Wall: 8643.5, 0.00390911/step, 0.380052 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2150000 662.4658 1882.0892 1987.9450 110.2158 3.8269 -1092.2811 0.0000 0.0000 2718.6100 6272.8715 300.2781 3554.2615 6306.5013 303.8823 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2150000 WRITING COORDINATES TO DCD FILE MD.1.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: 8644.36, 0.00430323/step Wall: 8644.36, 0.00430323/step, 0.41813 hours remaining, 115.753906 MB of memory in use. ENERGY: 2150200 658.8730 1860.6627 1947.8660 106.5561 5.0507 -1074.2575 0.0000 0.0000 2787.4165 6292.1674 307.8779 3504.7509 6328.2367 302.5857 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: 8645.14, 0.00391172/step Wall: 8645.14, 0.00391172/step, 0.379871 hours remaining, 115.753906 MB of memory in use. ENERGY: 2150400 671.0233 1865.7081 2006.0858 115.5630 4.0275 -1103.0545 0.0000 0.0000 2738.7603 6298.1135 302.5037 3559.3532 6333.9662 304.7023 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: 8645.93, 0.00391437/step Wall: 8645.93, 0.00391437/step, 0.379912 hours remaining, 115.753906 MB of memory in use. ENERGY: 2150600 653.6079 1907.7873 1986.4648 111.6316 3.5427 -1081.3540 0.0000 0.0000 2765.0233 6346.7037 305.4045 3581.6804 6379.6059 308.0003 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: 8646.71, 0.00391411/step Wall: 8646.71, 0.00391411/step, 0.379669 hours remaining, 115.753906 MB of memory in use. ENERGY: 2150800 679.4503 1854.4726 1978.4509 108.4989 3.4720 -1045.1917 0.0000 0.0000 2764.4226 6343.5756 305.3382 3579.1529 6377.3385 307.8521 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: 8647.49, 0.00390787/step Wall: 8647.49, 0.00390787/step, 0.378847 hours remaining, 115.753906 MB of memory in use. ENERGY: 2151000 626.1924 1873.0180 1984.7754 125.3032 2.1060 -1079.4461 0.0000 0.0000 2720.1310 6252.0799 300.4460 3531.9489 6281.9939 304.8530 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: 8648.27, 0.00391415/step Wall: 8648.27, 0.00391415/step, 0.379238 hours remaining, 115.753906 MB of memory in use. ENERGY: 2151200 654.7581 1845.6385 1982.3154 102.0836 3.3579 -1048.6653 0.0000 0.0000 2762.2692 6301.7575 305.1003 3539.4883 6335.1533 302.7734 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: 8649.06, 0.00391375/step Wall: 8649.06, 0.00391375/step, 0.378982 hours remaining, 115.753906 MB of memory in use. ENERGY: 2151400 673.2793 1856.4266 1984.4526 99.6030 3.2011 -1033.9705 0.0000 0.0000 2717.3233 6300.3154 300.1359 3582.9921 6329.0326 304.0370 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: 8649.84, 0.0039146/step Wall: 8649.84, 0.0039146/step, 0.378846 hours remaining, 115.753906 MB of memory in use. ENERGY: 2151600 647.3157 1845.4064 1982.6754 107.1611 1.5489 -1070.0448 0.0000 0.0000 2755.4687 6269.5314 304.3492 3514.0627 6303.2598 303.7615 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: 8650.62, 0.00392109/step Wall: 8650.62, 0.00392109/step, 0.379257 hours remaining, 115.753906 MB of memory in use. ENERGY: 2151800 633.1817 1846.8854 1988.5697 120.7551 1.9767 -1102.5864 0.0000 0.0000 2709.0715 6197.8536 299.2245 3488.7821 6234.2453 302.8617 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: 8651.4, 0.00391385/step Wall: 8651.4, 0.00391385/step, 0.378339 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2152000 645.8345 1900.3334 1939.1370 103.7679 1.9218 -1070.0709 0.0000 0.0000 2701.5804 6222.5040 298.3971 3520.9236 6258.4774 300.3716 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: 8652.19, 0.00391508/step Wall: 8652.19, 0.00391508/step, 0.37824 hours remaining, 115.753906 MB of memory in use. ENERGY: 2152200 657.8066 1876.0535 1963.4340 118.9134 3.0755 -1051.2374 0.0000 0.0000 2736.0023 6304.0478 302.1991 3568.0455 6337.7061 303.3183 LDB: ============= START OF LOAD BALANCING ============== 8654.89 LDB: ============== END OF LOAD BALANCING =============== 8654.89 LDB: =============== DONE WITH MIGRATION ================ 8654.89 LDB: ============= START OF LOAD BALANCING ============== 8655.28 LDB: ============== END OF LOAD BALANCING =============== 8655.28 LDB: =============== DONE WITH MIGRATION ================ 8655.28 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: 8652.97, 0.00391991/step Wall: 8652.97, 0.00391991/step, 0.378489 hours remaining, 115.753906 MB of memory in use. ENERGY: 2152400 640.7819 1884.6221 1950.2340 103.8075 3.6166 -1070.8700 0.0000 0.0000 2777.6271 6289.8192 306.7967 3512.1921 6326.3125 302.9284 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: 8653.76, 0.00391569/step Wall: 8653.76, 0.00391569/step, 0.377864 hours remaining, 115.753906 MB of memory in use. ENERGY: 2152600 685.5603 1923.0255 1908.3293 98.1733 3.3526 -1099.0331 0.0000 0.0000 2743.6595 6263.0674 303.0448 3519.4080 6295.1269 303.6647 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: 8654.54, 0.00390905/step Wall: 8654.54, 0.00390905/step, 0.377006 hours remaining, 115.753906 MB of memory in use. ENERGY: 2152800 670.7488 1877.3725 1945.8946 110.2259 1.5417 -1063.7151 0.0000 0.0000 2727.4109 6269.4792 301.2501 3542.0684 6301.7270 301.1973 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: 8655.32, 0.00391478/step Wall: 8655.32, 0.00391478/step, 0.377342 hours remaining, 115.753906 MB of memory in use. ENERGY: 2153000 655.0779 1811.2403 1953.3443 110.9293 3.4684 -1075.3589 0.0000 0.0000 2788.6257 6247.3270 308.0115 3458.7013 6283.2941 302.9555 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: 8656.1, 0.00391441/step Wall: 8656.1, 0.0039144/step, 0.377087 hours remaining, 115.753906 MB of memory in use. ENERGY: 2153200 643.9316 1810.6969 1978.8674 115.6121 2.9473 -1090.2705 0.0000 0.0000 2776.5200 6238.3047 306.6744 3461.7847 6272.7840 301.0688 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: 8656.89, 0.003915/step Wall: 8656.89, 0.003915/step, 0.376927 hours remaining, 115.753906 MB of memory in use. ENERGY: 2153400 669.9232 1837.2610 1952.2218 118.3849 3.0552 -1062.1054 0.0000 0.0000 2733.6949 6252.4356 301.9442 3518.7407 6288.5631 301.3927 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: 8657.67, 0.003914/step Wall: 8657.67, 0.003914/step, 0.376614 hours remaining, 115.753906 MB of memory in use. ENERGY: 2153600 705.3116 1877.6542 1918.2531 118.8073 3.7168 -1083.4291 0.0000 0.0000 2702.3870 6242.7010 298.4862 3540.3140 6274.3620 302.7703 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: 8658.45, 0.00391029/step Wall: 8658.45, 0.00391029/step, 0.376039 hours remaining, 115.753906 MB of memory in use. ENERGY: 2153800 700.3311 1803.8936 1961.3435 112.2740 3.3051 -1057.5531 0.0000 0.0000 2744.2877 6267.8817 303.1142 3523.5940 6299.2073 301.6576 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: 8659.23, 0.00391415/step Wall: 8659.23, 0.00391415/step, 0.376193 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2154000 626.9301 1856.9302 1955.3477 108.2602 3.5346 -1043.8680 0.0000 0.0000 2797.9345 6305.0693 309.0397 3507.1348 6338.0287 304.0455 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: 8660.02, 0.00391459/step Wall: 8660.02, 0.00391459/step, 0.376018 hours remaining, 115.753906 MB of memory in use. ENERGY: 2154200 648.8916 1854.1648 1952.8297 111.8346 2.5294 -1093.0397 0.0000 0.0000 2737.8343 6215.0446 302.4014 3477.2103 6249.9427 301.6059 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: 8660.8, 0.00391569/step Wall: 8660.8, 0.00391569/step, 0.375906 hours remaining, 115.753906 MB of memory in use. ENERGY: 2154400 643.3614 1806.9855 1947.6074 105.9121 2.4182 -1072.1832 0.0000 0.0000 2773.9559 6208.0573 306.3912 3434.1014 6245.0787 299.7648 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: 8661.58, 0.00391671/step Wall: 8661.58, 0.00391671/step, 0.375787 hours remaining, 115.753906 MB of memory in use. ENERGY: 2154600 644.0066 1825.2591 1961.9174 114.6257 2.5414 -1076.4403 0.0000 0.0000 2744.2471 6216.1570 303.1097 3471.9099 6253.5041 301.5604 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: 8662.36, 0.00391031/step Wall: 8662.36, 0.00391031/step, 0.374955 hours remaining, 115.753906 MB of memory in use. ENERGY: 2154800 685.3092 1846.4250 1975.7272 111.9012 1.7631 -1088.3008 0.0000 0.0000 2640.8045 6173.6293 291.6842 3532.8248 6202.9881 299.6831 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: 8663.15, 0.00391533/step Wall: 8663.15, 0.00391533/step, 0.37522 hours remaining, 115.753906 MB of memory in use. ENERGY: 2155000 669.0081 1844.0468 1969.2540 119.9200 2.0249 -1098.6235 0.0000 0.0000 2688.9532 6194.5835 297.0024 3505.6303 6228.1666 297.9361 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: 8663.93, 0.00391766/step Wall: 8663.93, 0.00391766/step, 0.375225 hours remaining, 115.753906 MB of memory in use. ENERGY: 2155200 655.4802 1877.9119 1983.2066 103.7661 3.2666 -1133.0168 0.0000 0.0000 2692.1515 6182.7662 297.3556 3490.6147 6217.6375 299.3056 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: 8664.72, 0.0039204/step Wall: 8664.72, 0.0039204/step, 0.375269 hours remaining, 115.753906 MB of memory in use. ENERGY: 2155400 680.1209 1763.9673 1946.2452 97.7516 3.4483 -1085.9876 0.0000 0.0000 2759.9920 6165.5376 304.8488 3405.5457 6201.5579 298.2792 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: 8665.5, 0.00391061/step Wall: 8665.5, 0.00391061/step, 0.374115 hours remaining, 115.753906 MB of memory in use. ENERGY: 2155600 631.6846 1923.3683 1962.1061 100.0768 3.4419 -1117.1571 0.0000 0.0000 2695.0056 6198.5261 297.6709 3503.5205 6230.7777 299.5939 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: 8666.28, 0.00391634/step Wall: 8666.28, 0.00391634/step, 0.374446 hours remaining, 115.753906 MB of memory in use. ENERGY: 2155800 623.2880 1859.0099 1969.4297 120.5873 1.9801 -1067.6752 0.0000 0.0000 2680.4041 6187.0237 296.0581 3506.6197 6219.0577 299.4224 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: 8667.06, 0.00391848/step Wall: 8667.06, 0.00391848/step, 0.374433 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2156000 673.0735 1745.2221 1940.0716 106.0278 3.6870 -1023.3750 0.0000 0.0000 2698.1989 6142.9059 298.0236 3444.7070 6178.5179 295.1792 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: 8667.85, 0.00391571/step Wall: 8667.85, 0.00391571/step, 0.37395 hours remaining, 115.753906 MB of memory in use. ENERGY: 2156200 627.1381 1873.0536 1946.2796 112.2593 2.7576 -1053.9444 0.0000 0.0000 2683.7451 6191.2888 296.4271 3507.5437 6223.1726 296.8957 LDB: ============= START OF LOAD BALANCING ============== 8670.55 LDB: ============== END OF LOAD BALANCING =============== 8670.55 LDB: =============== DONE WITH MIGRATION ================ 8670.55 LDB: ============= START OF LOAD BALANCING ============== 8670.94 LDB: ============== END OF LOAD BALANCING =============== 8670.94 LDB: =============== DONE WITH MIGRATION ================ 8670.94 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: 8668.63, 0.00392141/step Wall: 8668.63, 0.00392141/step, 0.374277 hours remaining, 115.753906 MB of memory in use. ENERGY: 2156400 659.3706 1822.5113 1957.9004 105.3626 3.1895 -1079.7685 0.0000 0.0000 2688.0706 6156.6366 296.9049 3468.5659 6187.5573 298.0697 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: 8669.41, 0.00391201/step Wall: 8669.41, 0.00391201/step, 0.373162 hours remaining, 115.753906 MB of memory in use. ENERGY: 2156600 641.5975 1853.4927 1954.0904 110.1919 3.2733 -1066.8052 0.0000 0.0000 2729.9567 6225.7972 301.5313 3495.8406 6260.1671 298.0874 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: 8670.2, 0.00391587/step Wall: 8670.2, 0.00391587/step, 0.373313 hours remaining, 115.753906 MB of memory in use. ENERGY: 2156800 641.4558 1884.3231 1961.1386 109.3573 1.6920 -1065.8476 0.0000 0.0000 2739.1267 6271.2459 302.5442 3532.1191 6303.8393 301.3495 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: 8670.98, 0.00391999/step Wall: 8670.98, 0.00391999/step, 0.373487 hours remaining, 115.753906 MB of memory in use. ENERGY: 2157000 648.2185 1856.8569 1940.1726 117.2227 2.2824 -1077.1900 0.0000 0.0000 2739.3494 6226.9125 302.5688 3487.5630 6260.6255 302.5047 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: 8671.77, 0.00391863/step Wall: 8671.77, 0.00391863/step, 0.373141 hours remaining, 115.753906 MB of memory in use. ENERGY: 2157200 618.7148 1865.8421 1955.2824 113.9423 2.4736 -1067.8175 0.0000 0.0000 2680.4218 6168.8596 296.0601 3488.4378 6203.0767 298.1420 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: 8672.55, 0.00391294/step Wall: 8672.55, 0.00391294/step, 0.372381 hours remaining, 115.753906 MB of memory in use. ENERGY: 2157400 653.7608 1796.3103 1957.2586 115.3574 2.1951 -1058.7733 0.0000 0.0000 2709.2895 6175.3983 299.2486 3466.1088 6209.9917 297.9156 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: 8673.33, 0.0039177/step Wall: 8673.33, 0.0039177/step, 0.372617 hours remaining, 115.753906 MB of memory in use. ENERGY: 2157600 635.1809 1760.1887 1970.7916 110.8483 1.4831 -1077.8454 0.0000 0.0000 2766.2898 6166.9370 305.5444 3400.6472 6204.3802 297.6603 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: 8674.12, 0.0039189/step Wall: 8674.12, 0.0039189/step, 0.372513 hours remaining, 115.753906 MB of memory in use. ENERGY: 2157800 646.2594 1866.8765 1981.0796 102.8941 1.9789 -1098.8329 0.0000 0.0000 2678.7874 6179.0430 295.8795 3500.2556 6211.5496 298.1483 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: 8674.9, 0.00391952/step Wall: 8674.9, 0.00391952/step, 0.372354 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2158000 652.2603 1901.9750 1953.0368 107.3492 1.9177 -1103.6689 0.0000 0.0000 2647.6979 6160.5681 292.4456 3512.8702 6190.6678 296.5497 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: 8675.68, 0.00391894/step Wall: 8675.68, 0.00391894/step, 0.372081 hours remaining, 115.753906 MB of memory in use. ENERGY: 2158200 654.2705 1845.6705 1951.6134 102.0205 3.3014 -1109.0818 0.0000 0.0000 2753.6317 6201.4262 304.1463 3447.7945 6235.3826 298.7516 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: 8676.47, 0.00391374/step Wall: 8676.47, 0.00391374/step, 0.371371 hours remaining, 115.753906 MB of memory in use. ENERGY: 2158400 704.7625 1867.9750 1933.6367 121.2705 3.9438 -1091.5377 0.0000 0.0000 2670.5845 6210.6352 294.9735 3540.0507 6239.8028 301.5433 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: 8677.25, 0.0039174/step Wall: 8677.25, 0.0039174/step, 0.3715 hours remaining, 115.753906 MB of memory in use. ENERGY: 2158600 657.8358 1836.2324 1953.9335 108.5614 2.8365 -1099.9982 0.0000 0.0000 2714.8806 6174.2820 299.8661 3459.4014 6207.6046 298.5341 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: 8678.04, 0.00393135/step Wall: 8678.04, 0.00393135/step, 0.372605 hours remaining, 115.753906 MB of memory in use. ENERGY: 2158800 656.2608 1830.1799 1960.8482 102.6110 2.8613 -1053.1170 0.0000 0.0000 2646.9060 6146.5502 292.3581 3499.6442 6178.5838 297.7792 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: 8678.82, 0.00392374/step Wall: 8678.82, 0.00392374/step, 0.371665 hours remaining, 115.753906 MB of memory in use. ENERGY: 2159000 668.4639 1840.6515 1942.4686 101.9508 3.7042 -1082.4636 0.0000 0.0000 2665.0800 6139.8553 294.3655 3474.7753 6169.8081 295.4506 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: 8679.6, 0.00391525/step Wall: 8679.6, 0.00391526/step, 0.370644 hours remaining, 115.753906 MB of memory in use. ENERGY: 2159200 654.8747 1799.2010 1947.5574 117.1354 3.6884 -1089.2732 0.0000 0.0000 2715.3936 6148.5774 299.9228 3433.1838 6182.9354 294.9756 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: 8680.39, 0.00392093/step Wall: 8680.39, 0.00392093/step, 0.370964 hours remaining, 115.753906 MB of memory in use. ENERGY: 2159400 658.1022 1784.3094 1968.4170 106.2804 3.2599 -1059.5513 0.0000 0.0000 2662.4687 6123.2864 294.0771 3460.8177 6154.7921 295.8151 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: 8681.17, 0.00392017/step Wall: 8681.17, 0.00392017/step, 0.370674 hours remaining, 115.753906 MB of memory in use. ENERGY: 2159600 657.5407 1806.3691 1988.7262 124.4285 3.0095 -1099.7761 0.0000 0.0000 2658.4251 6138.7231 293.6305 3480.2979 6170.4747 295.7760 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: 8681.96, 0.00392076/step Wall: 8681.96, 0.00392076/step, 0.370511 hours remaining, 115.753906 MB of memory in use. ENERGY: 2159800 614.4755 1832.7828 1937.4266 98.6396 2.9753 -1099.1994 0.0000 0.0000 2636.5381 6023.6384 291.2130 3387.1004 6058.2421 293.0109 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: 8682.74, 0.00392159/step Wall: 8682.74, 0.00392159/step, 0.370372 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2160000 650.8199 1838.6976 1954.8521 116.0491 2.5824 -1124.7733 0.0000 0.0000 2567.6016 6005.8294 283.5988 3438.2278 6034.3382 290.2699 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2160000 WRITING COORDINATES TO DCD FILE MD.1.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: 8683.56, 0.00411777/step Wall: 8683.56, 0.00411777/step, 0.388672 hours remaining, 115.753906 MB of memory in use. ENERGY: 2160200 630.5089 1757.0247 1953.1086 109.5500 2.1456 -1109.2714 0.0000 0.0000 2654.3004 5997.3668 293.1749 3343.0664 6028.9620 288.6062 LDB: ============= START OF LOAD BALANCING ============== 8686.27 LDB: ============== END OF LOAD BALANCING =============== 8686.27 LDB: =============== DONE WITH MIGRATION ================ 8686.27 LDB: ============= START OF LOAD BALANCING ============== 8686.66 LDB: ============== END OF LOAD BALANCING =============== 8686.66 LDB: =============== DONE WITH MIGRATION ================ 8686.66 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: 8684.35, 0.00392625/step Wall: 8684.35, 0.00392625/step, 0.370376 hours remaining, 115.753906 MB of memory in use. ENERGY: 2160400 624.4525 1801.4539 1950.6729 110.8724 2.6940 -1084.4347 0.0000 0.0000 2623.3075 6029.0185 289.7516 3405.7110 6060.4800 288.6216 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: 8685.13, 0.00392122/step Wall: 8685.13, 0.00392122/step, 0.369684 hours remaining, 115.753906 MB of memory in use. ENERGY: 2160600 624.6313 1773.0343 1964.2009 111.3028 2.7491 -1078.9115 0.0000 0.0000 2625.0731 6022.0800 289.9466 3397.0069 6054.1909 289.3218 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: 8685.92, 0.00391981/step Wall: 8685.92, 0.00391981/step, 0.369334 hours remaining, 115.753906 MB of memory in use. ENERGY: 2160800 651.5844 1834.0635 1978.8813 107.9077 2.6822 -1110.2677 0.0000 0.0000 2615.8570 6080.7084 288.9287 3464.8514 6112.1479 292.4516 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: 8686.7, 0.00392171/step Wall: 8686.7, 0.00392171/step, 0.369294 hours remaining, 115.753906 MB of memory in use. ENERGY: 2161000 630.7333 1848.0036 1942.2779 106.6136 3.5473 -1075.1620 0.0000 0.0000 2657.6570 6113.6707 293.5456 3456.0137 6141.1721 294.8662 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: 8687.48, 0.00391435/step Wall: 8687.48, 0.00391435/step, 0.368384 hours remaining, 115.753906 MB of memory in use. ENERGY: 2161200 634.3407 1848.4074 1954.5227 117.2647 1.7213 -1086.3216 0.0000 0.0000 2596.3416 6066.2768 286.7732 3469.9352 6097.9033 294.6939 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: 8688.27, 0.0039216/step Wall: 8688.27, 0.0039216/step, 0.368848 hours remaining, 115.753906 MB of memory in use. ENERGY: 2161400 649.6463 1799.7441 1974.6382 104.9432 2.6749 -1108.4670 0.0000 0.0000 2654.9450 6078.1247 293.2461 3423.1797 6111.2307 292.1419 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: 8689.05, 0.00392234/step Wall: 8689.05, 0.00392234/step, 0.3687 hours remaining, 115.753906 MB of memory in use. ENERGY: 2161600 670.7832 1759.9366 1963.3769 105.6716 2.6123 -1060.9696 0.0000 0.0000 2638.8835 6080.2944 291.4720 3441.4110 6112.5291 291.1179 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: 8689.84, 0.00392161/step Wall: 8689.84, 0.00392161/step, 0.368413 hours remaining, 115.753906 MB of memory in use. ENERGY: 2161800 630.0743 1780.4825 1974.1751 96.0918 2.4194 -1050.5705 0.0000 0.0000 2615.5151 6048.1877 288.8909 3432.6726 6080.1555 290.5122 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: 8690.62, 0.00391524/step Wall: 8690.62, 0.00391525/step, 0.367598 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2162000 650.4636 1793.2032 1951.9708 104.9043 2.8131 -1063.0504 0.0000 0.0000 2623.5541 6063.8587 289.7789 3440.3046 6095.6766 291.0106 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: 8691.4, 0.00392176/step Wall: 8691.4, 0.00392176/step, 0.367992 hours remaining, 115.753906 MB of memory in use. ENERGY: 2162200 636.0280 1808.1223 1929.2784 104.7017 2.3530 -1084.2538 0.0000 0.0000 2705.0973 6101.3269 298.7855 3396.2296 6133.6386 293.2281 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: 8692.19, 0.00392097/step Wall: 8692.19, 0.00392097/step, 0.367699 hours remaining, 115.753906 MB of memory in use. ENERGY: 2162400 627.5269 1858.4884 1922.1618 108.9257 3.2733 -1085.2513 0.0000 0.0000 2679.1828 6114.3077 295.9232 3435.1249 6148.6401 294.2990 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: 8692.97, 0.00392329/step Wall: 8692.97, 0.00392329/step, 0.367699 hours remaining, 115.753906 MB of memory in use. ENERGY: 2162600 665.2132 1817.0131 1920.9755 102.4706 4.0810 -1079.6490 0.0000 0.0000 2683.5597 6113.6641 296.4066 3430.1044 6147.4060 295.8815 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: 8693.76, 0.00392278/step Wall: 8693.76, 0.00392278/step, 0.367434 hours remaining, 115.753906 MB of memory in use. ENERGY: 2162800 632.6895 1873.1286 1943.7559 107.9880 4.0002 -1058.0914 0.0000 0.0000 2640.9166 6144.3874 291.6966 3503.4708 6173.0166 295.7070 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: 8694.54, 0.00391536/step Wall: 8694.54, 0.00391536/step, 0.366522 hours remaining, 115.753906 MB of memory in use. ENERGY: 2163000 637.2712 1840.7293 1947.3319 118.3797 2.7244 -1104.6822 0.0000 0.0000 2658.8262 6100.5804 293.6748 3441.7542 6132.8049 295.3228 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: 8695.33, 0.00392465/step Wall: 8695.33, 0.00392465/step, 0.367173 hours remaining, 115.753906 MB of memory in use. ENERGY: 2163200 653.8909 1776.6656 1937.0976 109.8862 2.5439 -1109.7285 0.0000 0.0000 2681.7989 6052.1546 296.2122 3370.3557 6086.5149 293.6708 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: 8696.11, 0.0039198/step Wall: 8696.11, 0.0039198/step, 0.366501 hours remaining, 115.753906 MB of memory in use. ENERGY: 2163400 635.9577 1865.1321 1967.7470 123.2370 1.4851 -1142.7956 0.0000 0.0000 2630.1562 6080.9194 290.5081 3450.7632 6113.2271 292.9687 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: 8696.89, 0.00392117/step Wall: 8696.89, 0.00392117/step, 0.366411 hours remaining, 115.753906 MB of memory in use. ENERGY: 2163600 626.8151 1830.0319 1959.8500 125.4682 0.6482 -1090.9613 0.0000 0.0000 2659.9694 6111.8216 293.8010 3451.8522 6146.3041 295.8192 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: 8697.68, 0.00392068/step Wall: 8697.68, 0.00392068/step, 0.366148 hours remaining, 115.753906 MB of memory in use. ENERGY: 2163800 643.1446 1812.2621 1962.7507 122.6759 2.1234 -1088.9145 0.0000 0.0000 2643.7824 6097.8245 292.0131 3454.0421 6128.5442 295.8021 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: 8698.46, 0.00391366/step Wall: 8698.46, 0.00391366/step, 0.365275 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2164000 666.8031 1821.7735 1949.6615 116.7875 1.9446 -1129.4289 0.0000 0.0000 2659.2087 6086.7500 293.7170 3427.5414 6123.1543 294.8137 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: 8699.25, 0.00391974/step Wall: 8699.25, 0.00391974/step, 0.365625 hours remaining, 115.753906 MB of memory in use. ENERGY: 2164200 669.7389 1773.6118 1966.1388 111.9417 0.8836 -1075.1519 0.0000 0.0000 2728.0985 6175.2613 301.3261 3447.1628 6208.6835 296.9092 LDB: ============= START OF LOAD BALANCING ============== 8701.95 LDB: ============== END OF LOAD BALANCING =============== 8701.95 LDB: =============== DONE WITH MIGRATION ================ 8701.95 LDB: ============= START OF LOAD BALANCING ============== 8702.34 LDB: ============== END OF LOAD BALANCING =============== 8702.34 LDB: =============== DONE WITH MIGRATION ================ 8702.34 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: 8700.03, 0.0039242/step Wall: 8700.03, 0.0039242/step, 0.365823 hours remaining, 115.753906 MB of memory in use. ENERGY: 2164400 647.9758 1881.5522 1957.4065 104.6930 0.9672 -1125.0121 0.0000 0.0000 2751.7767 6219.3591 303.9414 3467.5825 6252.6071 299.2689 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: 8700.81, 0.00392135/step Wall: 8700.81, 0.00392135/step, 0.365339 hours remaining, 115.753906 MB of memory in use. ENERGY: 2164600 635.2807 1823.7578 1943.1492 96.8783 0.9418 -1084.6242 0.0000 0.0000 2697.7283 6113.1120 297.9716 3415.3837 6147.3369 297.5917 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: 8701.63, 0.00409841/step Wall: 8701.63, 0.00409841/step, 0.381608 hours remaining, 115.753906 MB of memory in use. ENERGY: 2164800 639.4773 1817.1927 1956.9650 110.3323 2.2624 -1096.4960 0.0000 0.0000 2713.4725 6143.2061 299.7106 3429.7336 6175.6709 294.8259 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: 8702.42, 0.00391591/step Wall: 8702.42, 0.00391591/step, 0.364397 hours remaining, 115.753906 MB of memory in use. ENERGY: 2165000 652.3782 1853.7363 1943.9366 101.6923 0.4246 -1087.4637 0.0000 0.0000 2647.9682 6112.6725 292.4755 3464.7043 6146.1136 298.8075 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: 8703.2, 0.00391301/step Wall: 8703.2, 0.00391301/step, 0.36391 hours remaining, 115.753906 MB of memory in use. ENERGY: 2165200 642.0113 1815.5824 1962.7266 115.1839 1.7010 -1086.5192 0.0000 0.0000 2636.5522 6087.2381 291.2145 3450.6859 6121.0181 294.6355 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: 8703.98, 0.00391627/step Wall: 8703.98, 0.00391627/step, 0.363995 hours remaining, 115.753906 MB of memory in use. ENERGY: 2165400 642.8547 1825.4177 1950.2196 110.5370 1.7014 -1104.5632 0.0000 0.0000 2639.0680 6065.2350 291.4924 3426.1670 6098.2834 293.7485 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: 8704.77, 0.00391536/step Wall: 8704.77, 0.00391536/step, 0.363693 hours remaining, 115.753906 MB of memory in use. ENERGY: 2165600 653.1689 1871.5263 1933.6950 100.4186 1.2284 -1102.2038 0.0000 0.0000 2657.5843 6115.4178 293.5376 3457.8335 6143.9342 294.8334 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: 8705.55, 0.00391281/step Wall: 8705.55, 0.00391281/step, 0.363239 hours remaining, 115.753906 MB of memory in use. ENERGY: 2165800 687.5103 1792.7160 1978.1476 119.6674 1.9899 -1113.1408 0.0000 0.0000 2661.6170 6128.5075 293.9830 3466.8905 6160.8933 295.8666 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: 8706.33, 0.00391536/step Wall: 8706.33, 0.00391536/step, 0.363259 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2166000 629.5372 1794.2496 1949.0143 112.1013 1.4074 -1063.9443 0.0000 0.0000 2702.6912 6125.0566 298.5198 3422.3654 6157.6379 297.1444 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: 8707.11, 0.00391356/step Wall: 8707.11, 0.00391356/step, 0.362874 hours remaining, 115.753906 MB of memory in use. ENERGY: 2166200 631.5017 1825.9002 1953.1967 115.1893 1.1380 -1069.2768 0.0000 0.0000 2635.0620 6092.7112 291.0499 3457.6491 6125.6686 294.8741 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: 8707.9, 0.00391432/step Wall: 8707.9, 0.00391431/step, 0.362726 hours remaining, 115.753906 MB of memory in use. ENERGY: 2166400 638.3425 1779.2090 1944.1597 89.9601 0.8109 -1077.3038 0.0000 0.0000 2697.4676 6072.6459 297.9428 3375.1783 6106.6271 294.0094 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: 8708.68, 0.00391345/step Wall: 8708.68, 0.00391346/step, 0.362429 hours remaining, 115.753906 MB of memory in use. ENERGY: 2166600 641.7332 1839.7950 1910.7971 102.0601 1.7417 -1081.4757 0.0000 0.0000 2705.5969 6120.2483 298.8407 3414.6514 6154.6297 294.6690 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: 8709.46, 0.00391357/step Wall: 8709.46, 0.00391357/step, 0.362223 hours remaining, 115.753906 MB of memory in use. ENERGY: 2166800 617.0029 1858.1334 1949.3026 105.9311 0.6545 -1082.0062 0.0000 0.0000 2723.9963 6173.0147 300.8730 3449.0185 6205.3132 297.7814 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: 8710.25, 0.00392887/step Wall: 8710.25, 0.00392887/step, 0.36342 hours remaining, 115.753906 MB of memory in use. ENERGY: 2167000 642.1086 1797.1939 1982.5797 100.8734 2.0491 -1082.3858 0.0000 0.0000 2746.7360 6189.1549 303.3846 3442.4188 6222.9826 298.1407 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: 8711.03, 0.00391603/step Wall: 8711.03, 0.00391603/step, 0.362016 hours remaining, 115.753906 MB of memory in use. ENERGY: 2167200 611.9804 1827.5362 1953.1238 110.2858 1.3339 -1038.1655 0.0000 0.0000 2707.2226 6173.3172 299.0203 3466.0946 6206.0918 299.6575 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: 8711.81, 0.00391518/step Wall: 8711.81, 0.00391518/step, 0.36172 hours remaining, 115.753906 MB of memory in use. ENERGY: 2167400 631.0651 1831.4862 1934.4000 103.1291 1.0592 -1078.2258 0.0000 0.0000 2686.2539 6109.1676 296.7042 3422.9137 6146.0978 297.3465 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: 8712.6, 0.00391428/step Wall: 8712.6, 0.00391428/step, 0.361419 hours remaining, 115.753906 MB of memory in use. ENERGY: 2167600 651.9318 1846.8183 1973.1455 98.8855 1.4300 -1118.8800 0.0000 0.0000 2618.1470 6071.4781 289.1816 3453.3311 6101.9797 295.2745 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: 8713.38, 0.00391313/step Wall: 8713.38, 0.00391313/step, 0.361095 hours remaining, 115.753906 MB of memory in use. ENERGY: 2167800 631.4084 1845.4073 1975.4264 109.4924 1.5116 -1088.5509 0.0000 0.0000 2647.6731 6122.3684 292.4429 3474.6953 6153.3206 295.0015 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: 8714.16, 0.00391261/step Wall: 8714.16, 0.00391261/step, 0.36083 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2168000 658.1061 1754.7600 1965.4662 111.3773 2.1715 -1066.1611 0.0000 0.0000 2697.9576 6123.6775 297.9969 3425.7199 6157.1988 293.8172 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: 8714.95, 0.00391343/step Wall: 8714.95, 0.00391343/step, 0.360688 hours remaining, 115.753906 MB of memory in use. ENERGY: 2168200 643.8168 1836.2090 1986.5169 110.9801 1.3830 -1088.9267 0.0000 0.0000 2674.0917 6164.0708 295.3609 3489.9791 6198.0223 296.1311 LDB: ============= START OF LOAD BALANCING ============== 8717.65 LDB: ============== END OF LOAD BALANCING =============== 8717.65 LDB: =============== DONE WITH MIGRATION ================ 8717.65 LDB: ============= START OF LOAD BALANCING ============== 8718.04 LDB: ============== END OF LOAD BALANCING =============== 8718.04 LDB: =============== DONE WITH MIGRATION ================ 8718.04 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: 8715.73, 0.00391984/step Wall: 8715.73, 0.00391984/step, 0.361061 hours remaining, 115.753906 MB of memory in use. ENERGY: 2168400 643.4053 1792.2765 1964.3727 128.3507 2.2495 -1067.8735 0.0000 0.0000 2693.5284 6156.3096 297.5077 3462.7812 6190.3106 296.8449 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: 8716.51, 0.00391137/step Wall: 8716.51, 0.00391137/step, 0.360063 hours remaining, 115.753906 MB of memory in use. ENERGY: 2168600 661.6616 1817.9167 1951.5502 111.2190 2.1441 -1109.9241 0.0000 0.0000 2698.8940 6133.4614 298.1004 3434.5674 6165.6560 298.7103 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: 8717.29, 0.00391253/step Wall: 8717.29, 0.00391253/step, 0.359952 hours remaining, 115.753906 MB of memory in use. ENERGY: 2168800 663.2683 1803.8697 1927.9529 103.1428 2.3580 -1083.7181 0.0000 0.0000 2683.3322 6100.2058 296.3815 3416.8736 6133.0278 296.5437 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: 8718.08, 0.00391706/step Wall: 8718.08, 0.00391706/step, 0.360151 hours remaining, 115.753906 MB of memory in use. ENERGY: 2169000 655.9569 1808.0678 1924.3835 103.2318 1.3183 -1059.4510 0.0000 0.0000 2696.5648 6130.0721 297.8431 3433.5073 6162.8748 294.6994 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: 8718.86, 0.00391405/step Wall: 8718.86, 0.00391405/step, 0.359658 hours remaining, 115.753906 MB of memory in use. ENERGY: 2169200 674.4027 1820.2208 1936.9973 112.4118 1.0231 -1094.5009 0.0000 0.0000 2667.4300 6117.9848 294.6251 3450.5548 6150.9460 295.0122 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: 8719.64, 0.00391062/step Wall: 8719.64, 0.00391062/step, 0.359125 hours remaining, 115.753906 MB of memory in use. ENERGY: 2169400 664.3875 1867.3653 1929.6586 109.8206 1.9523 -1100.8645 0.0000 0.0000 2665.0761 6137.3959 294.3651 3472.3198 6169.4658 294.8713 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: 8720.42, 0.0039122/step Wall: 8720.42, 0.0039122/step, 0.359053 hours remaining, 115.753906 MB of memory in use. ENERGY: 2169600 631.7546 1832.1104 1929.7400 121.5845 2.3552 -1110.8261 0.0000 0.0000 2719.5191 6126.2376 300.3785 3406.7185 6161.2947 297.3643 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: 8721.21, 0.0039102/step Wall: 8721.21, 0.0039102/step, 0.358652 hours remaining, 115.753906 MB of memory in use. ENERGY: 2169800 644.8829 1869.7374 1932.1835 114.9310 1.5059 -1095.0608 0.0000 0.0000 2662.7436 6130.9234 294.1074 3468.1798 6160.8401 296.2365 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: 8721.99, 0.003913/step Wall: 8721.99, 0.003913/step, 0.358692 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2170000 657.6642 1792.4215 1972.3202 122.2709 0.7577 -1069.9007 0.0000 0.0000 2730.8313 6206.3651 301.6279 3475.5338 6242.6236 297.5537 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2170000 WRITING COORDINATES TO DCD FILE MD.1.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: 8722.86, 0.00437672/step Wall: 8722.86, 0.00437672/step, 0.400956 hours remaining, 115.753906 MB of memory in use. ENERGY: 2170200 665.4766 1857.1165 1961.3354 99.4173 1.3642 -1035.1756 0.0000 0.0000 2642.8511 6192.3855 291.9103 3549.5344 6225.4834 299.7399 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: 8723.65, 0.00392169/step Wall: 8723.65, 0.00392169/step, 0.359052 hours remaining, 115.753906 MB of memory in use. ENERGY: 2170400 662.7741 1827.1500 1970.6126 118.8427 2.1256 -1105.9857 0.0000 0.0000 2756.0766 6231.5959 304.4163 3475.5193 6266.4131 300.4116 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: 8724.43, 0.00391596/step Wall: 8724.43, 0.00391596/step, 0.358311 hours remaining, 115.753906 MB of memory in use. ENERGY: 2170600 648.0898 1846.9274 1964.2324 103.2938 1.2074 -1064.8223 0.0000 0.0000 2791.7389 6290.6674 308.3553 3498.9284 6323.3836 303.5657 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: 8725.22, 0.00391644/step Wall: 8725.22, 0.00391644/step, 0.358137 hours remaining, 115.753906 MB of memory in use. ENERGY: 2170800 731.9146 1844.2452 1960.6490 115.5332 0.6571 -1099.9593 0.0000 0.0000 2750.1326 6303.1725 303.7598 3553.0399 6335.6420 305.4980 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: 8726, 0.0039169/step Wall: 8726, 0.0039169/step, 0.357961 hours remaining, 115.753906 MB of memory in use. ENERGY: 2171000 631.0054 1866.7480 1969.5860 111.3264 1.7301 -1077.0885 0.0000 0.0000 2745.0509 6248.3582 303.1985 3503.3074 6282.2402 305.2393 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: 8726.78, 0.00391688/step Wall: 8726.78, 0.00391688/step, 0.357741 hours remaining, 115.753906 MB of memory in use. ENERGY: 2171200 684.2583 1878.9387 1952.2061 106.3668 -0.8774 -1083.1160 0.0000 0.0000 2717.5003 6255.2769 300.1555 3537.7765 6287.1671 301.1433 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: 8727.56, 0.00390934/step Wall: 8727.56, 0.00390934/step, 0.356835 hours remaining, 115.753906 MB of memory in use. ENERGY: 2171400 663.2531 1926.1329 1951.7558 120.4347 1.6243 -1099.7541 0.0000 0.0000 2716.1999 6279.6466 300.0118 3563.4468 6313.1431 303.4681 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: 8728.35, 0.00391745/step Wall: 8728.35, 0.00391745/step, 0.357359 hours remaining, 115.753906 MB of memory in use. ENERGY: 2171600 681.7057 1903.5029 1956.1037 105.5089 -0.2156 -1108.7885 0.0000 0.0000 2740.0306 6277.8477 302.6440 3537.8171 6311.6862 304.4570 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: 8729.13, 0.0039174/step Wall: 8729.13, 0.0039174/step, 0.357136 hours remaining, 115.753906 MB of memory in use. ENERGY: 2171800 629.3711 1823.4969 1991.1209 112.2141 1.8170 -1085.4020 0.0000 0.0000 2765.1062 6237.7242 305.4137 3472.6181 6273.8129 303.8212 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: 8729.91, 0.00391698/step Wall: 8729.91, 0.00391698/step, 0.356881 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2172000 647.4444 1816.3304 1938.8958 106.5875 2.4564 -1085.1806 0.0000 0.0000 2688.4400 6114.9739 296.9457 3426.5339 6146.7954 297.3911 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: 8730.7, 0.00391057/step Wall: 8730.7, 0.00391057/step, 0.356079 hours remaining, 115.753906 MB of memory in use. ENERGY: 2172200 643.9147 1840.0009 1963.6612 104.3911 0.0345 -1116.8110 0.0000 0.0000 2632.5092 6067.7006 290.7680 3435.1914 6098.0703 294.8665 LDB: ============= START OF LOAD BALANCING ============== 8733.4 LDB: ============== END OF LOAD BALANCING =============== 8733.4 LDB: =============== DONE WITH MIGRATION ================ 8733.4 LDB: ============= START OF LOAD BALANCING ============== 8733.79 LDB: ============== END OF LOAD BALANCING =============== 8733.79 LDB: =============== DONE WITH MIGRATION ================ 8733.79 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: 8731.48, 0.00392202/step Wall: 8731.48, 0.00392202/step, 0.356904 hours remaining, 115.753906 MB of memory in use. ENERGY: 2172400 664.0356 1831.6573 1954.0765 105.1487 -0.1052 -1069.4171 0.0000 0.0000 2600.2131 6085.6089 287.2008 3485.3958 6120.2820 293.3776 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: 8732.26, 0.00391761/step Wall: 8732.26, 0.00391761/step, 0.356285 hours remaining, 115.753906 MB of memory in use. ENERGY: 2172600 628.7104 1805.5090 1946.4416 113.6211 0.9481 -1052.4552 0.0000 0.0000 2664.8515 6107.6264 294.3403 3442.7749 6140.7696 292.1258 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: 8733.05, 0.00391751/step Wall: 8733.05, 0.00391751/step, 0.356059 hours remaining, 115.753906 MB of memory in use. ENERGY: 2172800 652.3846 1816.9076 1936.2921 103.4426 0.5251 -1071.9894 0.0000 0.0000 2631.7576 6069.3201 290.6850 3437.5625 6100.5522 295.4164 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: 8733.83, 0.00391618/step Wall: 8733.83, 0.00391618/step, 0.355719 hours remaining, 115.753906 MB of memory in use. ENERGY: 2173000 653.6032 1866.1395 1978.3091 109.2508 1.1359 -1128.3346 0.0000 0.0000 2666.8600 6146.9639 294.5621 3480.1039 6179.1243 295.8281 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: 8734.61, 0.0039099/step Wall: 8734.61, 0.0039099/step, 0.354932 hours remaining, 115.753906 MB of memory in use. ENERGY: 2173200 671.8875 1906.5559 1948.7470 112.0079 0.9706 -1086.7668 0.0000 0.0000 2637.9037 6191.3057 291.3638 3553.4020 6219.7636 298.4220 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: 8735.4, 0.00391631/step Wall: 8735.4, 0.00391631/step, 0.355296 hours remaining, 115.753906 MB of memory in use. ENERGY: 2173400 649.3535 1859.5269 1949.0816 110.5797 1.4550 -1055.8450 0.0000 0.0000 2701.1414 6215.2931 298.3486 3514.1517 6248.0055 299.2692 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: 8736.18, 0.00391575/step Wall: 8736.18, 0.00391575/step, 0.355028 hours remaining, 115.753906 MB of memory in use. ENERGY: 2173600 632.3786 1831.7038 1958.9622 106.8653 1.1633 -1099.3457 0.0000 0.0000 2760.4155 6192.1429 304.8956 3431.7274 6225.9671 300.3522 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: 8736.96, 0.00391768/step Wall: 8736.96, 0.00391768/step, 0.354985 hours remaining, 115.753906 MB of memory in use. ENERGY: 2173800 630.8673 1895.6193 1949.1589 105.3866 1.1418 -1111.3281 0.0000 0.0000 2687.6434 6158.4892 296.8577 3470.8458 6192.8358 298.0389 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: 8737.75, 0.00391665/step Wall: 8737.75, 0.00391665/step, 0.354675 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2174000 664.2627 1861.8413 1948.2390 112.3196 2.3479 -1092.5111 0.0000 0.0000 2707.8326 6204.3319 299.0876 3496.4993 6234.7829 300.0894 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: 8738.53, 0.00391086/step Wall: 8738.53, 0.00391086/step, 0.353933 hours remaining, 115.753906 MB of memory in use. ENERGY: 2174200 700.2579 1853.1771 1955.0977 109.2539 2.4229 -1145.8073 0.0000 0.0000 2650.6146 6125.0168 292.7678 3474.4022 6155.2370 298.9483 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: 8739.31, 0.00391784/step Wall: 8739.31, 0.00391784/step, 0.354347 hours remaining, 115.753906 MB of memory in use. ENERGY: 2174400 607.0724 1812.8827 1948.4879 93.8435 2.8695 -1085.3839 0.0000 0.0000 2763.8574 6143.6295 305.2758 3379.7720 6180.3606 296.9284 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: 8740.1, 0.00391866/step Wall: 8740.1, 0.00391866/step, 0.354203 hours remaining, 115.753906 MB of memory in use. ENERGY: 2174600 638.6350 1872.2039 1948.1804 104.2578 2.5660 -1097.8876 0.0000 0.0000 2674.1631 6142.1187 295.3688 3467.9555 6172.8898 297.1597 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: 8740.88, 0.00392122/step Wall: 8740.88, 0.00392122/step, 0.354217 hours remaining, 115.753906 MB of memory in use. ENERGY: 2174800 636.0578 1829.3300 1936.6077 96.3291 3.2242 -1075.5423 0.0000 0.0000 2703.8166 6129.8230 298.6441 3426.0065 6163.7757 296.5231 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: 8741.66, 0.0039124/step Wall: 8741.66, 0.0039124/step, 0.353203 hours remaining, 115.753906 MB of memory in use. ENERGY: 2175000 645.3989 1860.0161 1946.0343 94.8859 1.8104 -1078.6986 0.0000 0.0000 2695.2566 6164.7036 297.6986 3469.4470 6195.1507 297.3341 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: 8742.45, 0.00391921/step Wall: 8742.45, 0.00391921/step, 0.3536 hours remaining, 115.753906 MB of memory in use. ENERGY: 2175200 674.3458 1817.8151 1925.8804 106.3806 2.0159 -1099.4172 0.0000 0.0000 2763.8222 6190.8426 305.2719 3427.0205 6228.3629 297.8007 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: 8743.23, 0.00391847/step Wall: 8743.23, 0.00391847/step, 0.353315 hours remaining, 115.753906 MB of memory in use. ENERGY: 2175400 652.8595 1861.5376 1957.1450 111.9328 1.5446 -1105.5128 0.0000 0.0000 2694.3408 6173.8474 297.5974 3479.5066 6204.6829 298.6200 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: 8744.01, 0.00391858/step Wall: 8744.01, 0.00391858/step, 0.353107 hours remaining, 115.753906 MB of memory in use. ENERGY: 2175600 655.7997 1829.2323 1937.5384 105.9857 1.8817 -1073.2357 0.0000 0.0000 2699.7912 6156.9932 298.1995 3457.2021 6189.6460 298.5996 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: 8744.8, 0.003918/step Wall: 8744.8, 0.003918/step, 0.352838 hours remaining, 115.753906 MB of memory in use. ENERGY: 2175800 661.4722 1905.0635 1944.6622 105.7134 0.8851 -1110.6657 0.0000 0.0000 2687.9125 6195.0432 296.8874 3507.1307 6229.1968 298.2584 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: 8745.58, 0.00391062/step Wall: 8745.58, 0.00391062/step, 0.351955 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2176000 674.7021 1861.8669 1943.3752 106.9637 0.7147 -1087.1880 0.0000 0.0000 2678.3188 6178.7533 295.8278 3500.4346 6212.1080 298.0178 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: 8746.36, 0.00391941/step Wall: 8746.36, 0.00391941/step, 0.35253 hours remaining, 115.753906 MB of memory in use. ENERGY: 2176200 645.9323 1865.8499 1993.7774 108.0089 0.7287 -1117.5690 0.0000 0.0000 2688.8469 6185.5751 296.9906 3496.7281 6218.1063 300.1553 LDB: ============= START OF LOAD BALANCING ============== 8749.07 LDB: ============== END OF LOAD BALANCING =============== 8749.07 LDB: =============== DONE WITH MIGRATION ================ 8749.07 LDB: ============= START OF LOAD BALANCING ============== 8749.46 LDB: ============== END OF LOAD BALANCING =============== 8749.46 LDB: =============== DONE WITH MIGRATION ================ 8749.46 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: 8747.15, 0.00392364/step Wall: 8747.15, 0.00392364/step, 0.352691 hours remaining, 115.753906 MB of memory in use. ENERGY: 2176400 632.3080 1833.3642 1985.1589 99.2959 -0.6310 -1080.2254 0.0000 0.0000 2769.0189 6238.2896 305.8459 3469.2706 6275.7548 300.0747 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: 8747.93, 0.00391891/step Wall: 8747.93, 0.00391891/step, 0.352048 hours remaining, 115.753906 MB of memory in use. ENERGY: 2176600 640.7004 1872.0593 1972.9508 116.2655 1.5104 -1112.6073 0.0000 0.0000 2747.1807 6238.0598 303.4338 3490.8790 6273.4311 301.1322 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: 8748.71, 0.00391346/step Wall: 8748.71, 0.00391345/step, 0.351341 hours remaining, 115.753906 MB of memory in use. ENERGY: 2176800 694.2975 1889.7572 1989.8713 111.5905 1.5330 -1088.0780 0.0000 0.0000 2659.3727 6258.3442 293.7351 3598.9716 6290.9190 301.2017 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: 8749.5, 0.00391874/step Wall: 8749.5, 0.00391875/step, 0.351599 hours remaining, 115.753906 MB of memory in use. ENERGY: 2177000 693.0863 1888.2045 1992.6696 101.0439 0.5152 -1105.0185 0.0000 0.0000 2710.2378 6280.7389 299.3533 3570.5010 6313.3224 303.7934 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: 8750.28, 0.00391975/step Wall: 8750.28, 0.00391975/step, 0.351471 hours remaining, 115.753906 MB of memory in use. ENERGY: 2177200 667.5441 1832.4056 2002.8361 104.7130 1.3040 -1073.2783 0.0000 0.0000 2777.5359 6313.0605 306.7866 3535.5246 6344.9980 305.0754 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: 8751.07, 0.00392003/step Wall: 8751.07, 0.00392003/step, 0.351279 hours remaining, 115.753906 MB of memory in use. ENERGY: 2177400 645.6001 1892.5945 1968.7941 111.4115 0.6905 -1072.3850 0.0000 0.0000 2711.8127 6258.5184 299.5273 3546.7057 6290.7624 303.5981 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: 8751.85, 0.00392197/step Wall: 8751.85, 0.00392197/step, 0.351234 hours remaining, 115.753906 MB of memory in use. ENERGY: 2177600 660.0350 1880.9482 1978.2563 104.9584 0.4488 -1094.1280 0.0000 0.0000 2718.1299 6248.6484 300.2250 3530.5185 6281.4939 301.8270 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: 8752.63, 0.0039158/step Wall: 8752.63, 0.0039158/step, 0.350464 hours remaining, 115.753906 MB of memory in use. ENERGY: 2177800 641.0995 1891.9210 1980.8028 97.1646 1.1031 -1104.1099 0.0000 0.0000 2748.6804 6256.6613 303.5994 3507.9809 6291.0002 303.0631 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: 8753.42, 0.00392146/step Wall: 8753.42, 0.00392146/step, 0.350753 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2178000 664.4414 1833.3960 1936.4161 111.9655 1.1682 -1048.8583 0.0000 0.0000 2743.3108 6241.8398 303.0063 3498.5289 6275.7765 302.3383 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: 8754.2, 0.00391821/step Wall: 8754.2, 0.00391821/step, 0.350244 hours remaining, 115.753906 MB of memory in use. ENERGY: 2178200 672.2495 1830.5039 1937.0072 102.7840 1.6509 -1053.8686 0.0000 0.0000 2707.1238 6197.4508 299.0094 3490.3270 6228.8463 299.6868 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: 8754.99, 0.00392123/step Wall: 8754.99, 0.00392123/step, 0.350296 hours remaining, 115.753906 MB of memory in use. ENERGY: 2178400 683.4376 1839.5090 1961.3801 98.4072 0.8734 -1061.7661 0.0000 0.0000 2689.4100 6211.2512 297.0528 3521.8412 6241.6359 298.8578 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: 8755.77, 0.00392057/step Wall: 8755.77, 0.00392057/step, 0.350019 hours remaining, 115.753906 MB of memory in use. ENERGY: 2178600 651.1441 1835.8322 1943.0342 109.2033 3.6248 -1079.8728 0.0000 0.0000 2715.7825 6178.7483 299.9657 3462.9658 6209.9487 298.1813 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: 8756.55, 0.00391339/step Wall: 8756.55, 0.00391339/step, 0.349162 hours remaining, 115.753906 MB of memory in use. ENERGY: 2178800 677.0034 1810.5361 1946.1143 106.1002 0.5533 -1077.7665 0.0000 0.0000 2730.9676 6193.5084 301.6430 3462.5407 6226.2917 299.1384 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: 8757.34, 0.00391939/step Wall: 8757.34, 0.00391939/step, 0.349479 hours remaining, 115.753906 MB of memory in use. ENERGY: 2179000 631.8291 1836.8753 1960.4001 107.0245 1.2395 -1066.3593 0.0000 0.0000 2714.3866 6185.3957 299.8116 3471.0091 6215.1351 300.6299 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: 8758.12, 0.00392398/step Wall: 8758.12, 0.00392397/step, 0.34967 hours remaining, 115.753906 MB of memory in use. ENERGY: 2179200 640.6483 1801.6514 1997.6584 110.7235 1.0923 -1107.7200 0.0000 0.0000 2805.4774 6249.5312 309.8728 3444.0538 6285.9102 301.0819 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: 8758.91, 0.00391784/step Wall: 8758.91, 0.00391785/step, 0.348906 hours remaining, 115.753906 MB of memory in use. ENERGY: 2179400 652.0756 1904.7594 1982.8888 118.4214 2.5969 -1046.8941 0.0000 0.0000 2693.1415 6306.9895 297.4650 3613.8480 6339.8446 304.6394 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: 8759.69, 0.00391173/step Wall: 8759.69, 0.00391173/step, 0.348144 hours remaining, 115.753906 MB of memory in use. ENERGY: 2179600 655.0290 1858.4661 1951.9026 107.3993 2.2132 -1068.6769 0.0000 0.0000 2782.4361 6288.7693 307.3278 3506.3332 6324.2069 303.1446 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: 8760.47, 0.00391882/step Wall: 8760.47, 0.00391882/step, 0.348557 hours remaining, 115.753906 MB of memory in use. ENERGY: 2179800 676.3105 1850.6180 1928.5461 113.3301 1.3998 -1077.2258 0.0000 0.0000 2811.9781 6304.9568 310.5908 3492.9787 6343.2005 304.1447 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: 8761.26, 0.00391943/step Wall: 8761.26, 0.00391943/step, 0.348394 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2180000 637.6721 1915.2770 1953.0242 107.6929 2.5645 -1084.6843 0.0000 0.0000 2724.6036 6256.1500 300.9401 3531.5464 6289.2021 305.2129 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2180000 WRITING COORDINATES TO DCD FILE MD.1.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: 8762.08, 0.00413556/step Wall: 8762.08, 0.00413556/step, 0.367375 hours remaining, 115.753906 MB of memory in use. ENERGY: 2180200 656.1520 1893.7101 1984.2574 100.1016 1.6836 -1079.2391 0.0000 0.0000 2705.6247 6262.2904 298.8438 3556.6657 6294.8888 301.4986 LDB: ============= START OF LOAD BALANCING ============== 8764.78 LDB: ============== END OF LOAD BALANCING =============== 8764.78 LDB: =============== DONE WITH MIGRATION ================ 8764.78 LDB: ============= START OF LOAD BALANCING ============== 8765.18 LDB: ============== END OF LOAD BALANCING =============== 8765.18 LDB: =============== DONE WITH MIGRATION ================ 8765.18 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: 8762.87, 0.00392393/step Wall: 8762.87, 0.00392393/step, 0.348358 hours remaining, 115.753906 MB of memory in use. ENERGY: 2180400 657.8888 1888.9881 1926.8029 106.3694 3.5506 -1076.2734 0.0000 0.0000 2748.3958 6255.7221 303.5680 3507.3263 6288.9725 302.4221 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: 8763.65, 0.00391277/step Wall: 8763.65, 0.00391277/step, 0.34715 hours remaining, 115.753906 MB of memory in use. ENERGY: 2180600 660.5960 1853.3005 1922.7297 116.4596 1.9120 -1105.8297 0.0000 0.0000 2718.7715 6167.9398 300.2959 3449.1683 6201.8640 300.7688 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: 8764.43, 0.00391951/step Wall: 8764.43, 0.00391951/step, 0.34753 hours remaining, 115.753906 MB of memory in use. ENERGY: 2180800 655.6582 1883.5911 1938.4737 108.1286 2.1900 -1087.9126 0.0000 0.0000 2681.1123 6181.2413 296.1363 3500.1290 6213.6829 299.0149 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: 8765.22, 0.00391995/step Wall: 8765.22, 0.00391995/step, 0.347351 hours remaining, 115.753906 MB of memory in use. ENERGY: 2181000 650.2298 1802.4493 1960.9437 109.3147 1.7900 -1054.1005 0.0000 0.0000 2740.4259 6211.0530 302.6877 3470.6271 6249.7175 299.9146 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: 8766, 0.00392129/step Wall: 8766, 0.00392129/step, 0.347252 hours remaining, 115.753906 MB of memory in use. ENERGY: 2181200 697.6851 1914.9862 1934.9175 103.1322 3.3234 -1078.7598 0.0000 0.0000 2615.4805 6190.7651 288.8871 3575.2846 6222.2081 299.7620 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: 8766.79, 0.0039208/step Wall: 8766.79, 0.0039208/step, 0.346991 hours remaining, 115.753906 MB of memory in use. ENERGY: 2181400 678.9352 1873.5237 1945.3867 103.7187 2.7621 -1067.6810 0.0000 0.0000 2681.5594 6218.2048 296.1857 3536.6455 6250.2055 301.6913 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: 8767.57, 0.00391489/step Wall: 8767.57, 0.00391489/step, 0.34625 hours remaining, 115.753906 MB of memory in use. ENERGY: 2181600 663.8387 1839.4260 1923.9395 113.2004 1.9334 -1053.4709 0.0000 0.0000 2773.0348 6261.9018 306.2894 3488.8670 6295.5364 301.5691 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: 8768.35, 0.00392123/step Wall: 8768.35, 0.00392123/step, 0.346593 hours remaining, 115.753906 MB of memory in use. ENERGY: 2181800 654.3426 1825.8755 1926.9222 110.8067 1.7115 -1082.2172 0.0000 0.0000 2814.4588 6251.9001 310.8648 3437.4413 6287.7126 301.4021 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: 8769.14, 0.00392326/step Wall: 8769.14, 0.00392326/step, 0.346555 hours remaining, 115.753906 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2182000 662.0796 1913.0735 1930.3145 102.3367 1.8091 -1071.9605 0.0000 0.0000 2745.1022 6282.7551 303.2042 3537.6529 6316.0069 303.5205 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: 8769.92, 0.00392828/step Wall: 8769.92, 0.00392828/step, 0.34678 hours remaining, 115.753906 MB of memory in use. ENERGY: 2182200 651.9482 1851.3387 1912.6759 101.8561 1.7995 -1067.0285 0.0000 0.0000 2774.5420 6227.1320 306.4559 3452.5900 6263.5794 302.8167 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: 8770.71, 0.00393774/step Wall: 8770.71, 0.00393773/step, 0.347395 hours remaining, 115.753906 MB of memory in use. ENERGY: 2182400 658.1826 1876.9263 1942.4263 101.1498 2.7845 -1070.4918 0.0000 0.0000 2659.8292 6170.8068 293.7855 3510.9777 6208.0161 299.0529 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: 8771.5, 0.00392675/step Wall: 8771.5, 0.00392675/step, 0.346209 hours remaining, 115.753906 MB of memory in use. ENERGY: 2182600 626.7669 1805.4745 1968.9457 116.8694 1.4058 -1096.8498 0.0000 0.0000 2713.5398 6136.1524 299.7180 3422.6126 6173.7678 297.2104 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: 8772.28, 0.00392428/step Wall: 8772.28, 0.00392428/step, 0.345772 hours remaining, 115.753906 MB of memory in use. ENERGY: 2182800 626.3316 1890.0481 1949.4176 111.3020 -0.0782 -1110.1032 0.0000 0.0000 2657.4335 6124.3514 293.5209 3466.9179 6157.3398 294.1445 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: 8773.07, 0.00392915/step Wall: 8773.07, 0.00392915/step, 0.345984 hours remaining, 115.757812 MB of memory in use. ENERGY: 2183000 658.3260 1837.8382 1953.2125 104.8790 1.0810 -1117.4790 0.0000 0.0000 2698.2024 6136.0601 298.0240 3437.8576 6171.3583 296.1421 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: 8773.86, 0.00394225/step Wall: 8773.86, 0.00394225/step, 0.346918 hours remaining, 115.757812 MB of memory in use. ENERGY: 2183200 629.8922 1835.4871 1945.0937 106.6041 1.7583 -1064.1417 0.0000 0.0000 2669.0202 6123.7138 294.8007 3454.6937 6154.7195 296.5606 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: 8774.64, 0.00393605/step Wall: 8774.64, 0.00393605/step, 0.346154 hours remaining, 115.757812 MB of memory in use. ENERGY: 2183400 643.1881 1768.3324 1944.9731 108.4410 1.8192 -1093.8575 0.0000 0.0000 2758.6071 6131.5033 304.6958 3372.8962 6166.6539 296.4037 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: 8775.43, 0.00394613/step Wall: 8775.43, 0.00394613/step, 0.346821 hours remaining, 115.757812 MB of memory in use. ENERGY: 2183600 654.9141 1910.2228 1923.0130 105.5911 2.0149 -1104.0992 0.0000 0.0000 2641.4881 6133.1449 291.7597 3491.6568 6165.3847 296.6473 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: 8776.22, 0.00394602/step Wall: 8776.22, 0.00394602/step, 0.346592 hours remaining, 115.761719 MB of memory in use. ENERGY: 2183800 654.4187 1798.7105 1970.5573 116.6619 2.3514 -1095.4005 0.0000 0.0000 2665.0909 6112.3904 294.3667 3447.2994 6144.6534 295.9529 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: 8777.01, 0.00395267/step Wall: 8777.01, 0.00395267/step, 0.346957 hours remaining, 115.761719 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2184000 652.0004 1838.6876 1940.5116 94.6158 0.9139 -1089.4810 0.0000 0.0000 2658.4159 6095.6643 293.6294 3437.2484 6124.4177 293.6256 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: 8777.8, 0.00394465/step Wall: 8777.8, 0.00394465/step, 0.346033 hours remaining, 115.761719 MB of memory in use. ENERGY: 2184200 700.8405 1790.5828 1938.4418 101.4861 2.4831 -1055.4551 0.0000 0.0000 2652.2261 6130.6054 292.9458 3478.3792 6164.6078 295.4210 LDB: ============= START OF LOAD BALANCING ============== 8780.5 LDB: ============== END OF LOAD BALANCING =============== 8780.5 LDB: =============== DONE WITH MIGRATION ================ 8780.5 LDB: ============= START OF LOAD BALANCING ============== 8780.9 LDB: ============== END OF LOAD BALANCING =============== 8780.9 LDB: =============== DONE WITH MIGRATION ================ 8780.9 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: 8778.59, 0.00393058/step Wall: 8778.59, 0.00393058/step, 0.344581 hours remaining, 115.761719 MB of memory in use. ENERGY: 2184400 685.1478 1881.1391 1961.6670 116.8405 0.8042 -1137.2977 0.0000 0.0000 2656.1408 6164.4418 293.3782 3508.3009 6194.2684 296.9924 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: 8779.37, 0.00391998/step Wall: 8779.37, 0.00391998/step, 0.343434 hours remaining, 115.761719 MB of memory in use. ENERGY: 2184600 650.7584 1843.8543 1930.7575 111.2765 1.4477 -1056.1337 0.0000 0.0000 2675.8667 6157.8274 295.5569 3481.9607 6190.8430 297.8684 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: 8780.15, 0.00391941/step Wall: 8780.15, 0.00391941/step, 0.343166 hours remaining, 115.761719 MB of memory in use. ENERGY: 2184800 671.0825 1838.6381 1919.9362 94.4540 1.4777 -1068.3041 0.0000 0.0000 2693.1406 6150.4250 297.4649 3457.2845 6184.4312 297.5244 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: 8780.94, 0.00392174/step Wall: 8780.94, 0.00392174/step, 0.343152 hours remaining, 115.761719 MB of memory in use. ENERGY: 2185000 677.7107 1833.0176 1936.3843 110.5739 1.6189 -1119.7113 0.0000 0.0000 2712.2210 6151.8151 299.5724 3439.5941 6182.8081 297.0588 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: 8781.73, 0.00392921/step Wall: 8781.73, 0.00392921/step, 0.343588 hours remaining, 115.761719 MB of memory in use. ENERGY: 2185200 633.5046 1808.6041 1930.4861 116.5080 0.3287 -1071.1360 0.0000 0.0000 2752.0154 6170.3110 303.9678 3418.2955 6203.9730 297.8564 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: 8782.51, 0.00394381/step Wall: 8782.51, 0.00394381/step, 0.344645 hours remaining, 115.765625 MB of memory in use. ENERGY: 2185400 660.0243 1799.9074 1974.2936 104.8947 1.2448 -1080.9647 0.0000 0.0000 2684.0386 6143.4388 296.4595 3459.4002 6177.3188 297.0799 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: 8783.3, 0.00393952/step Wall: 8783.3, 0.00393952/step, 0.344051 hours remaining, 115.902344 MB of memory in use. ENERGY: 2185600 643.1661 1829.9696 1956.9850 108.2373 1.2070 -1051.5005 0.0000 0.0000 2721.0106 6209.0751 300.5432 3488.0645 6243.4684 298.2735 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: 8784.09, 0.00393687/step Wall: 8784.09, 0.00393687/step, 0.343602 hours remaining, 115.902344 MB of memory in use. ENERGY: 2185800 650.7161 1836.0398 1993.0257 114.1277 1.4228 -1080.4590 0.0000 0.0000 2686.5059 6201.3790 296.7321 3514.8731 6234.4092 298.7408 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: 8784.88, 0.00394622/step Wall: 8784.88, 0.00394622/step, 0.344198 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2186000 675.3130 1853.3913 1967.1364 111.9813 0.8180 -1069.4301 0.0000 0.0000 2712.7948 6252.0047 299.6357 3539.2099 6284.6656 300.3382 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: 8785.66, 0.00393297/step Wall: 8785.66, 0.00393298/step, 0.342824 hours remaining, 115.902344 MB of memory in use. ENERGY: 2186200 676.7202 1842.5628 1969.1918 116.8945 1.0240 -1099.7466 0.0000 0.0000 2764.2771 6270.9239 305.3221 3506.6468 6304.6971 303.1711 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: 8786.45, 0.00394257/step Wall: 8786.45, 0.00394257/step, 0.343442 hours remaining, 115.902344 MB of memory in use. ENERGY: 2186400 650.4755 1847.2340 1997.3263 110.1369 0.8512 -1038.8922 0.0000 0.0000 2741.6349 6308.7666 302.8212 3567.1317 6342.8263 304.4149 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: 8787.24, 0.00393818/step Wall: 8787.24, 0.00393818/step, 0.34284 hours remaining, 115.902344 MB of memory in use. ENERGY: 2186600 666.8028 1805.9372 1968.5459 109.4605 1.7664 -1056.0191 0.0000 0.0000 2768.7170 6265.2106 305.8125 3496.4937 6300.0051 304.4630 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: 8788.03, 0.00392381/step Wall: 8788.03, 0.00392381/step, 0.341372 hours remaining, 115.902344 MB of memory in use. ENERGY: 2186800 650.0166 1824.7805 1957.4396 104.1678 1.5830 -1046.8673 0.0000 0.0000 2772.1257 6263.2459 306.1890 3491.1202 6297.3427 300.6687 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: 8788.81, 0.00391934/step Wall: 8788.81, 0.00391934/step, 0.340765 hours remaining, 115.902344 MB of memory in use. ENERGY: 2187000 671.5297 1852.8464 1984.3046 121.5638 0.2439 -1051.6809 0.0000 0.0000 2710.1455 6288.9530 299.3431 3578.8076 6321.7655 303.5134 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: 8789.6, 0.00392686/step Wall: 8789.6, 0.00392686/step, 0.3412 hours remaining, 115.902344 MB of memory in use. ENERGY: 2187200 663.0547 1845.2949 1934.6740 119.3463 1.8878 -1061.1551 0.0000 0.0000 2744.7043 6247.8068 303.1602 3503.1025 6279.3658 303.5030 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: 8790.38, 0.00392212/step Wall: 8790.38, 0.00392212/step, 0.34057 hours remaining, 115.902344 MB of memory in use. ENERGY: 2187400 674.8501 1808.8625 1965.7893 105.8909 1.4420 -1063.6746 0.0000 0.0000 2720.5427 6213.7029 300.4915 3493.1602 6247.7000 302.6167 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: 8791.16, 0.00392592/step Wall: 8791.16, 0.00392592/step, 0.340683 hours remaining, 115.902344 MB of memory in use. ENERGY: 2187600 639.8854 1837.3898 1967.0355 116.1700 0.8685 -1057.2627 0.0000 0.0000 2698.4137 6202.5003 298.0473 3504.0866 6236.1685 300.1181 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: 8791.95, 0.00391863/step Wall: 8791.95, 0.00391863/step, 0.339832 hours remaining, 115.902344 MB of memory in use. ENERGY: 2187800 671.0785 1826.1669 1955.4779 124.9999 1.1015 -1065.9316 0.0000 0.0000 2713.7005 6226.5937 299.7358 3512.8932 6257.7801 301.3737 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: 8792.73, 0.00391216/step Wall: 8792.73, 0.00391216/step, 0.339053 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2188000 677.0791 1811.6362 1948.5084 116.7215 1.8381 -1037.4252 0.0000 0.0000 2726.7123 6245.0704 301.1730 3518.3581 6276.6458 301.2199 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: 8795.2, 0.0123689/step Wall: 8795.2, 0.0123689/step, 1.07129 hours remaining, 115.902344 MB of memory in use. ENERGY: 2188200 652.4496 1863.2021 1938.5979 108.2837 1.0602 -1070.5251 0.0000 0.0000 2719.3083 6212.3766 300.3552 3493.0683 6248.1532 300.1019 LDB: ============= START OF LOAD BALANCING ============== 8797.91 LDB: ============== END OF LOAD BALANCING =============== 8797.91 LDB: =============== DONE WITH MIGRATION ================ 8797.91 LDB: ============= START OF LOAD BALANCING ============== 8798.31 LDB: ============== END OF LOAD BALANCING =============== 8798.31 LDB: =============== DONE WITH MIGRATION ================ 8798.31 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: 8796, 0.0039728/step Wall: 8796, 0.0039728/step, 0.343868 hours remaining, 115.902344 MB of memory in use. ENERGY: 2188400 661.5120 1793.1071 1968.3484 113.9711 2.3902 -1064.5704 0.0000 0.0000 2723.6924 6198.4507 300.8394 3474.7584 6229.0556 299.7114 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: 8796.78, 0.00391607/step Wall: 8796.78, 0.00391607/step, 0.33874 hours remaining, 115.902344 MB of memory in use. ENERGY: 2188600 661.2934 1800.1756 1960.8708 105.8904 2.5844 -1052.0918 0.0000 0.0000 2680.3536 6159.0764 296.0525 3478.7228 6188.6662 295.8184 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: 8797.57, 0.00392018/step Wall: 8797.57, 0.00392018/step, 0.338877 hours remaining, 115.902344 MB of memory in use. ENERGY: 2188800 666.0334 1821.5024 1939.4969 101.2107 1.8961 -1067.7471 0.0000 0.0000 2669.0780 6131.4703 294.8071 3462.3923 6164.5539 295.3747 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: 8798.35, 0.00393309/step Wall: 8798.35, 0.00393309/step, 0.339776 hours remaining, 115.902344 MB of memory in use. ENERGY: 2189000 628.8789 1815.1535 1940.5555 99.4448 1.3067 -1051.0622 0.0000 0.0000 2666.3149 6100.5922 294.5019 3434.2773 6132.7924 293.9786 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: 8799.14, 0.00392105/step Wall: 8799.14, 0.00392105/step, 0.338517 hours remaining, 115.902344 MB of memory in use. ENERGY: 2189200 619.0440 1851.7975 1978.7811 111.2997 0.5833 -1053.1187 0.0000 0.0000 2674.8882 6183.2750 295.4489 3508.3868 6214.8406 293.5826 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: 8799.92, 0.00392042/step Wall: 8799.92, 0.00392042/step, 0.338245 hours remaining, 115.902344 MB of memory in use. ENERGY: 2189400 670.8324 1831.6452 1973.7577 120.3084 0.8471 -1081.1720 0.0000 0.0000 2653.0120 6169.2308 293.0326 3516.2188 6202.7482 296.2961 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: 8800.7, 0.00391378/step Wall: 8800.7, 0.00391377/step, 0.337454 hours remaining, 115.902344 MB of memory in use. ENERGY: 2189600 659.0590 1827.4315 1963.8780 102.7403 1.2185 -1047.0009 0.0000 0.0000 2719.3439 6226.6703 300.3591 3507.3264 6260.1566 299.4909 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: 8801.49, 0.00391989/step Wall: 8801.49, 0.0039199/step, 0.337765 hours remaining, 115.902344 MB of memory in use. ENERGY: 2189800 643.1731 1803.7003 1973.6994 106.0465 1.2722 -1061.7177 0.0000 0.0000 2765.8531 6232.0270 305.4962 3466.1738 6268.9047 299.8464 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: 8802.27, 0.00392134/step Wall: 8802.27, 0.00392134/step, 0.337671 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2190000 662.3339 1863.6151 1952.2755 104.9445 0.8574 -1078.5051 0.0000 0.0000 2693.9695 6199.4909 297.5564 3505.5213 6234.2679 300.6333 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2190000 WRITING COORDINATES TO DCD FILE MD.1.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: 8803.1, 0.00414643/step Wall: 8803.1, 0.00414643/step, 0.356823 hours remaining, 115.902344 MB of memory in use. ENERGY: 2190200 640.2820 1861.0048 1959.0328 104.1374 1.2158 -1077.0965 0.0000 0.0000 2698.3084 6186.8846 298.0357 3488.5761 6220.4713 298.1261 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: 8803.89, 0.00392242/step Wall: 8803.89, 0.00392242/step, 0.337328 hours remaining, 115.902344 MB of memory in use. ENERGY: 2190400 694.3422 1847.7218 1970.7230 108.4402 1.4197 -1109.8740 0.0000 0.0000 2716.4094 6229.1823 300.0350 3512.7729 6262.9194 298.9731 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: 8804.67, 0.00392168/step Wall: 8804.67, 0.00392168/step, 0.337047 hours remaining, 115.902344 MB of memory in use. ENERGY: 2190600 648.1256 1890.7722 1950.8589 114.9119 1.3005 -1030.3873 0.0000 0.0000 2685.0757 6260.6575 296.5741 3575.5818 6292.4649 301.4445 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: 8805.45, 0.00392154/step Wall: 8805.45, 0.00392154/step, 0.336816 hours remaining, 115.902344 MB of memory in use. ENERGY: 2190800 637.6688 1859.2698 1985.1435 115.7101 0.5727 -1043.8571 0.0000 0.0000 2644.4415 6198.9494 292.0859 3554.5078 6230.3064 298.5747 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: 8806.24, 0.00392032/step Wall: 8806.24, 0.00392032/step, 0.336494 hours remaining, 115.902344 MB of memory in use. ENERGY: 2191000 652.9888 1895.1982 1940.3626 109.3341 0.9173 -1048.5686 0.0000 0.0000 2735.1423 6285.3747 302.1041 3550.2324 6317.3899 301.6466 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: 8807.02, 0.00391907/step Wall: 8807.02, 0.00391907/step, 0.336169 hours remaining, 115.902344 MB of memory in use. ENERGY: 2191200 664.5943 1869.5300 1943.3328 108.9530 1.7737 -1050.6220 0.0000 0.0000 2763.0638 6300.6255 305.1881 3537.5617 6334.7281 304.3730 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: 8807.81, 0.00391304/step Wall: 8807.81, 0.00391304/step, 0.335435 hours remaining, 115.902344 MB of memory in use. ENERGY: 2191400 633.7457 1846.7930 1946.0102 118.9651 1.6344 -1006.1146 0.0000 0.0000 2739.0386 6280.0724 302.5344 3541.0337 6315.5442 303.2944 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: 8808.59, 0.00392439/step Wall: 8808.59, 0.00392439/step, 0.33619 hours remaining, 115.902344 MB of memory in use. ENERGY: 2191600 654.9499 1854.1431 1946.5262 122.8227 0.6291 -1046.2332 0.0000 0.0000 2748.7325 6281.5703 303.6052 3532.8378 6314.4764 302.3408 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: 8809.38, 0.0039272/step Wall: 8809.38, 0.0039272/step, 0.336212 hours remaining, 115.902344 MB of memory in use. ENERGY: 2191800 711.5451 1848.8655 1961.2793 105.5706 0.9021 -1082.2616 0.0000 0.0000 2713.0567 6258.9577 299.6647 3545.9010 6291.2735 302.5643 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: 8810.16, 0.00392177/step Wall: 8810.16, 0.00392177/step, 0.33553 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2192000 659.5826 1861.0935 1964.1480 104.2576 0.9121 -1095.0942 0.0000 0.0000 2771.7953 6266.6948 306.1525 3494.8996 6301.1550 303.2233 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: 8810.94, 0.00392304/step Wall: 8810.94, 0.00392304/step, 0.33542 hours remaining, 115.902344 MB of memory in use. ENERGY: 2192200 651.8876 1858.5877 1961.2624 101.0894 1.2483 -1074.6349 0.0000 0.0000 2706.1326 6205.5731 298.8999 3499.4405 6239.8824 301.2010 LDB: ============= START OF LOAD BALANCING ============== 8813.65 LDB: ============== END OF LOAD BALANCING =============== 8813.65 LDB: =============== DONE WITH MIGRATION ================ 8813.65 LDB: ============= START OF LOAD BALANCING ============== 8814.04 LDB: ============== END OF LOAD BALANCING =============== 8814.04 LDB: =============== DONE WITH MIGRATION ================ 8814.04 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: 8811.73, 0.00392046/step Wall: 8811.73, 0.00392045/step, 0.334981 hours remaining, 115.902344 MB of memory in use. ENERGY: 2192400 676.7525 1825.6558 1981.0894 107.3580 2.2829 -1078.4876 0.0000 0.0000 2703.8145 6218.4656 298.6438 3514.6510 6251.4689 299.6086 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: 8812.51, 0.00392384/step Wall: 8812.51, 0.00392385/step, 0.335053 hours remaining, 115.902344 MB of memory in use. ENERGY: 2192600 674.7549 1876.9057 1966.0898 118.6897 1.1748 -1093.3066 0.0000 0.0000 2692.3048 6236.6130 297.3726 3544.3083 6268.7163 299.9302 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: 8813.3, 0.0039212/step Wall: 8813.3, 0.0039212/step, 0.334609 hours remaining, 115.902344 MB of memory in use. ENERGY: 2192800 644.5337 1879.6063 1958.8739 128.0903 0.2140 -1092.3890 0.0000 0.0000 2754.3501 6273.2793 304.2256 3518.9293 6307.4816 301.0924 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: 8814.08, 0.00392172/step Wall: 8814.08, 0.00392172/step, 0.334436 hours remaining, 115.902344 MB of memory in use. ENERGY: 2193000 673.6621 1878.4193 1945.6599 105.2279 0.4377 -1081.2092 0.0000 0.0000 2711.5556 6233.7533 299.4989 3522.1977 6265.9121 302.5230 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: 8814.86, 0.00391467/step Wall: 8814.86, 0.00391467/step, 0.333617 hours remaining, 115.902344 MB of memory in use. ENERGY: 2193200 690.0533 1842.7530 1970.5858 104.3731 0.4360 -1088.2499 0.0000 0.0000 2719.8494 6239.8008 300.4149 3519.9514 6274.3383 301.6893 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: 8815.65, 0.00392238/step Wall: 8815.65, 0.00392238/step, 0.334056 hours remaining, 115.902344 MB of memory in use. ENERGY: 2193400 653.1366 1919.4852 1936.3594 102.7091 -0.6060 -1075.3048 0.0000 0.0000 2661.5501 6197.3296 293.9756 3535.7795 6229.1480 299.6096 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: 8816.43, 0.00392331/step Wall: 8816.43, 0.00392331/step, 0.333917 hours remaining, 115.902344 MB of memory in use. ENERGY: 2193600 643.4939 1871.1601 1972.9890 106.7292 -0.3156 -1055.8567 0.0000 0.0000 2630.1385 6168.3385 290.5061 3538.1999 6200.2097 295.8791 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: 8817.22, 0.00392815/step Wall: 8817.22, 0.00392815/step, 0.334111 hours remaining, 115.902344 MB of memory in use. ENERGY: 2193800 654.3929 1807.7427 1973.1335 110.1055 -0.9835 -1080.2828 0.0000 0.0000 2724.9848 6189.0932 300.9822 3464.1084 6223.1889 297.9227 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: 8818.01, 0.0039448/step Wall: 8818.01, 0.0039448/step, 0.335308 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2194000 652.8437 1790.7290 1939.8003 96.5415 -0.2671 -1085.9207 0.0000 0.0000 2775.7320 6169.4587 306.5873 3393.7267 6206.3609 298.1971 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: 8818.79, 0.00392288/step Wall: 8818.79, 0.00392287/step, 0.333226 hours remaining, 115.902344 MB of memory in use. ENERGY: 2194200 683.3552 1895.4378 1935.8270 113.7483 0.5440 -1157.8314 0.0000 0.0000 2707.2092 6178.2900 299.0188 3471.0808 6208.5471 296.9473 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: 8819.58, 0.0039338/step Wall: 8819.58, 0.00393381/step, 0.333936 hours remaining, 115.902344 MB of memory in use. ENERGY: 2194400 641.4322 1808.6833 1976.7166 110.9518 -0.4863 -1076.5696 0.0000 0.0000 2720.3642 6181.0921 300.4718 3460.7279 6217.7972 298.4471 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: 8820.37, 0.00392933/step Wall: 8820.37, 0.00392933/step, 0.333339 hours remaining, 115.902344 MB of memory in use. ENERGY: 2194600 627.3000 1849.4549 1948.7810 107.9849 0.2900 -1066.4294 0.0000 0.0000 2745.7392 6213.1206 303.2745 3467.3814 6245.9978 296.9200 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: 8821.15, 0.00394392/step Wall: 8821.15, 0.00394392/step, 0.334357 hours remaining, 115.902344 MB of memory in use. ENERGY: 2194800 669.0684 1854.5656 1963.8224 95.3467 0.6482 -1093.7284 0.0000 0.0000 2702.0847 6191.8077 298.4528 3489.7230 6224.5438 299.2631 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: 8821.94, 0.0039491/step Wall: 8821.94, 0.0039491/step, 0.334577 hours remaining, 115.902344 MB of memory in use. ENERGY: 2195000 619.4716 1845.7802 1990.2755 106.8889 -0.3658 -1081.7132 0.0000 0.0000 2661.6646 6142.0017 293.9883 3480.3371 6175.4103 296.8228 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: 8822.73, 0.00394563/step Wall: 8822.73, 0.00394563/step, 0.334063 hours remaining, 115.902344 MB of memory in use. ENERGY: 2195200 664.6938 1914.7482 1937.6945 110.1107 -0.7018 -1098.7629 0.0000 0.0000 2678.5812 6206.3638 295.8568 3527.7826 6238.4961 296.2126 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: 8823.52, 0.00394858/step Wall: 8823.52, 0.00394858/step, 0.334094 hours remaining, 115.902344 MB of memory in use. ENERGY: 2195400 638.7489 1847.1712 1966.2506 116.7166 -0.1652 -1064.0296 0.0000 0.0000 2691.1549 6195.8473 297.2456 3504.6924 6229.2130 298.7465 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: 8824.31, 0.00395064/step Wall: 8824.31, 0.00395064/step, 0.334049 hours remaining, 115.902344 MB of memory in use. ENERGY: 2195600 664.7159 1828.3596 1948.9298 116.5752 0.6365 -1061.6803 0.0000 0.0000 2703.0608 6200.5975 298.5606 3497.5367 6234.6647 297.3460 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: 8825.1, 0.00395229/step Wall: 8825.1, 0.00395229/step, 0.333968 hours remaining, 115.902344 MB of memory in use. ENERGY: 2195800 681.6864 1847.9407 1953.1411 105.1397 0.4583 -1063.4394 0.0000 0.0000 2696.0668 6220.9937 297.7881 3524.9268 6255.8727 299.4651 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: 8825.89, 0.00393209/step Wall: 8825.89, 0.00393209/step, 0.332043 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2196000 659.4194 1862.7744 1963.6018 108.6334 0.2939 -1037.6352 0.0000 0.0000 2737.7748 6294.8625 302.3949 3557.0877 6329.0830 301.2250 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: 8826.68, 0.00394248/step Wall: 8826.68, 0.00394248/step, 0.332702 hours remaining, 115.902344 MB of memory in use. ENERGY: 2196200 613.7556 1907.4812 1975.1142 108.9743 -0.0262 -1029.5531 0.0000 0.0000 2696.2857 6272.0316 297.8123 3575.7459 6303.6682 302.9216 LDB: ============= START OF LOAD BALANCING ============== 8829.38 LDB: ============== END OF LOAD BALANCING =============== 8829.38 LDB: =============== DONE WITH MIGRATION ================ 8829.38 LDB: ============= START OF LOAD BALANCING ============== 8829.78 LDB: ============== END OF LOAD BALANCING =============== 8829.78 LDB: =============== DONE WITH MIGRATION ================ 8829.78 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: 8827.47, 0.00394155/step Wall: 8827.47, 0.00394155/step, 0.332404 hours remaining, 115.902344 MB of memory in use. ENERGY: 2196400 628.0753 1840.9457 1957.4670 109.6103 -0.2889 -1070.4768 0.0000 0.0000 2731.6078 6196.9405 301.7137 3465.3326 6231.0362 300.2720 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: 8828.25, 0.00393095/step Wall: 8828.25, 0.00393095/step, 0.331292 hours remaining, 115.902344 MB of memory in use. ENERGY: 2196600 641.1994 1850.5827 1937.1345 99.9998 1.8120 -1063.4068 0.0000 0.0000 2767.1239 6234.4454 305.6365 3467.3215 6269.6720 300.3796 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: 8829.04, 0.00392956/step Wall: 8829.04, 0.00392956/step, 0.330956 hours remaining, 115.902344 MB of memory in use. ENERGY: 2196800 645.6920 1858.2480 1963.4019 112.2915 0.9721 -1072.7558 0.0000 0.0000 2755.9928 6263.8426 304.4071 3507.8498 6297.4824 301.0340 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: 8829.82, 0.00391976/step Wall: 8829.82, 0.00391976/step, 0.329914 hours remaining, 115.902344 MB of memory in use. ENERGY: 2197000 623.4488 1887.2933 1978.5257 111.8658 1.2377 -1043.4097 0.0000 0.0000 2734.3835 6293.3451 302.0203 3558.9617 6326.3594 303.1102 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: 8830.61, 0.00393158/step Wall: 8830.61, 0.00393158/step, 0.33069 hours remaining, 115.902344 MB of memory in use. ENERGY: 2197200 637.4659 1848.8865 1943.9614 116.4884 0.9967 -1039.6435 0.0000 0.0000 2770.7020 6278.8574 306.0318 3508.1554 6311.6481 301.7003 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: 8831.4, 0.00393349/step Wall: 8831.4, 0.00393349/step, 0.330631 hours remaining, 115.902344 MB of memory in use. ENERGY: 2197400 653.8343 1859.6037 1943.5258 108.6603 1.1569 -1075.5362 0.0000 0.0000 2758.7091 6249.9539 304.7071 3491.2448 6285.6482 301.4411 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: 8832.18, 0.0039339/step Wall: 8832.18, 0.0039339/step, 0.330448 hours remaining, 115.902344 MB of memory in use. ENERGY: 2197600 649.4477 1856.9540 1964.7346 101.7853 0.0314 -1060.1565 0.0000 0.0000 2753.1565 6265.9529 304.0938 3512.7964 6297.7464 302.5127 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: 8832.97, 0.00393085/step Wall: 8832.97, 0.00393085/step, 0.329973 hours remaining, 115.902344 MB of memory in use. ENERGY: 2197800 652.8798 1911.2701 1979.8012 114.5558 0.8165 -1080.5284 0.0000 0.0000 2670.2122 6249.0071 294.9324 3578.7949 6280.3598 301.0788 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: 8833.76, 0.00393412/step Wall: 8833.76, 0.00393412/step, 0.330029 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2198000 689.3555 1841.0591 1936.3429 116.8881 -0.1099 -1084.5369 0.0000 0.0000 2712.2970 6211.2958 299.5808 3498.9988 6243.3478 300.7446 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: 8834.54, 0.00393247/step Wall: 8834.54, 0.00393247/step, 0.329672 hours remaining, 115.902344 MB of memory in use. ENERGY: 2198200 650.4349 1822.8844 1965.8684 112.2534 -0.1632 -1077.9404 0.0000 0.0000 2687.4844 6160.8219 296.8401 3473.3375 6193.1177 297.4143 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: 8835.33, 0.00393243/step Wall: 8835.33, 0.00393243/step, 0.32945 hours remaining, 115.902344 MB of memory in use. ENERGY: 2198400 650.8501 1813.9426 1939.6668 107.0372 -1.1819 -1054.2241 0.0000 0.0000 2728.4691 6184.5599 301.3670 3456.0908 6218.3957 297.3140 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: 8836.11, 0.00392773/step Wall: 8836.11, 0.00392773/step, 0.328838 hours remaining, 115.902344 MB of memory in use. ENERGY: 2198600 640.6493 1847.7690 1989.0828 110.9670 0.1074 -1027.4864 0.0000 0.0000 2632.5051 6193.5942 290.7675 3561.0891 6221.8765 297.0971 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: 8836.9, 0.00392511/step Wall: 8836.9, 0.00392511/step, 0.328401 hours remaining, 115.902344 MB of memory in use. ENERGY: 2198800 672.3969 1815.0833 1965.2471 107.2042 0.6406 -1072.2929 0.0000 0.0000 2688.7911 6177.0703 296.9845 3488.2792 6208.4508 297.1009 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: 8837.69, 0.00393553/step Wall: 8837.69, 0.00393553/step, 0.329054 hours remaining, 115.902344 MB of memory in use. ENERGY: 2199000 670.4163 1826.2845 1959.9078 115.9455 2.2667 -1052.6947 0.0000 0.0000 2648.4510 6170.5771 292.5288 3522.1262 6200.5438 298.6590 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: 8838.48, 0.00394915/step Wall: 8838.48, 0.00394915/step, 0.329973 hours remaining, 115.902344 MB of memory in use. ENERGY: 2199200 653.0537 1807.3894 1978.4644 98.1905 1.3269 -1070.8343 0.0000 0.0000 2714.0633 6181.6538 299.7759 3467.5905 6216.9736 295.1217 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: 8839.26, 0.00392795/step Wall: 8839.26, 0.00392795/step, 0.327984 hours remaining, 115.902344 MB of memory in use. ENERGY: 2199400 625.3870 1822.5324 1955.2467 106.4446 1.4840 -1052.8175 0.0000 0.0000 2698.0613 6156.3385 298.0084 3458.2772 6190.0283 295.4321 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: 8840.05, 0.00392197/step Wall: 8840.05, 0.00392197/step, 0.327266 hours remaining, 115.902344 MB of memory in use. ENERGY: 2199600 624.1726 1784.0039 1966.5903 107.0882 2.2361 -1044.8750 0.0000 0.0000 2652.8002 6092.0163 293.0092 3439.2161 6124.4378 292.7401 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: 8840.83, 0.0039204/step Wall: 8840.83, 0.0039204/step, 0.326917 hours remaining, 115.902344 MB of memory in use. ENERGY: 2199800 626.3147 1824.0177 1994.4895 106.0817 2.5782 -1076.5073 0.0000 0.0000 2646.9108 6123.8853 292.3587 3476.9744 6156.4686 293.9385 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: 8841.62, 0.00393048/step Wall: 8841.62, 0.00393048/step, 0.32754 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2200000 675.8712 1824.4246 1970.9677 116.6616 1.9908 -1053.1650 0.0000 0.0000 2565.5689 6102.3199 283.3742 3536.7510 6130.5305 292.3045 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2200000 WRITING COORDINATES TO DCD FILE MD.1.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: 8842.43, 0.0040823/step Wall: 8842.43, 0.0040823/step, 0.339965 hours remaining, 115.902344 MB of memory in use. ENERGY: 2200200 666.4513 1809.8448 1981.0333 109.9522 1.0668 -1055.3530 0.0000 0.0000 2626.0243 6139.0198 290.0517 3512.9954 6168.3503 293.1615 LDB: ============= START OF LOAD BALANCING ============== 8845.13 LDB: ============== END OF LOAD BALANCING =============== 8845.13 LDB: =============== DONE WITH MIGRATION ================ 8845.13 LDB: ============= START OF LOAD BALANCING ============== 8845.53 LDB: ============== END OF LOAD BALANCING =============== 8845.53 LDB: =============== DONE WITH MIGRATION ================ 8845.53 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: 8843.22, 0.00392335/step Wall: 8843.22, 0.00392335/step, 0.32651 hours remaining, 115.902344 MB of memory in use. ENERGY: 2200400 624.2712 1781.4340 1943.6831 107.2227 0.5120 -999.1491 0.0000 0.0000 2718.2823 6176.2561 300.2418 3457.9739 6208.5613 295.0290 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: 8844, 0.00392195/step Wall: 8844, 0.00392195/step, 0.326175 hours remaining, 115.902344 MB of memory in use. ENERGY: 2200600 636.5506 1835.4684 1947.9095 107.6014 0.1063 -1049.5049 0.0000 0.0000 2675.0131 6153.1445 295.4626 3478.1314 6185.3605 296.6610 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: 8844.79, 0.00391559/step Wall: 8844.79, 0.00391559/step, 0.325429 hours remaining, 115.902344 MB of memory in use. ENERGY: 2200800 649.5635 1818.0938 1947.5626 107.9710 -0.1186 -1041.4738 0.0000 0.0000 2645.6875 6127.2858 292.2235 3481.5984 6161.0274 295.3654 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: 8845.57, 0.0039271/step Wall: 8845.57, 0.0039271/step, 0.326168 hours remaining, 115.902344 MB of memory in use. ENERGY: 2201000 672.5201 1810.0746 1934.3420 111.4646 -0.0958 -1099.7680 0.0000 0.0000 2691.2692 6119.8067 297.2582 3428.5375 6152.1335 293.7226 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: 8846.36, 0.00392214/step Wall: 8846.36, 0.00392214/step, 0.325538 hours remaining, 115.902344 MB of memory in use. ENERGY: 2201200 644.9330 1812.4329 1943.0079 105.7270 -0.5764 -1058.6630 0.0000 0.0000 2724.0007 6170.8622 300.8735 3446.8615 6207.2328 295.4675 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: 8847.14, 0.00391782/step Wall: 8847.14, 0.00391782/step, 0.324961 hours remaining, 115.902344 MB of memory in use. ENERGY: 2201400 656.6207 1897.1958 1940.1275 110.8354 -0.4654 -1093.7921 0.0000 0.0000 2697.6451 6208.1669 297.9624 3510.5218 6242.8725 298.8151 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: 8847.92, 0.00391487/step Wall: 8847.92, 0.00391487/step, 0.3245 hours remaining, 115.902344 MB of memory in use. ENERGY: 2201600 680.4882 1803.8876 1956.9879 106.1480 -1.8716 -1085.3042 0.0000 0.0000 2691.0193 6151.3552 297.2306 3460.3359 6185.1607 298.2185 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: 8848.71, 0.00392326/step Wall: 8848.71, 0.00392326/step, 0.324977 hours remaining, 115.902344 MB of memory in use. ENERGY: 2201800 686.3258 1816.4476 1946.7086 110.4790 -1.2641 -1080.1102 0.0000 0.0000 2729.2124 6207.7991 301.4491 3478.5866 6241.2438 298.5512 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: 8849.49, 0.00392523/step Wall: 8849.49, 0.00392523/step, 0.324922 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2202000 670.1754 1825.1217 1954.4020 100.1826 -1.0519 -1088.0257 0.0000 0.0000 2715.5027 6176.3069 299.9348 3460.8042 6214.7295 298.5157 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: 8850.28, 0.0039221/step Wall: 8850.28, 0.0039221/step, 0.324445 hours remaining, 115.902344 MB of memory in use. ENERGY: 2202200 683.8248 1829.0041 1938.9582 124.0865 -0.6536 -1073.7007 0.0000 0.0000 2715.3500 6216.8693 299.9180 3501.5193 6250.2272 297.6790 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: 8851.06, 0.0039218/step Wall: 8851.06, 0.0039218/step, 0.324202 hours remaining, 115.902344 MB of memory in use. ENERGY: 2202400 618.9722 1890.3158 1942.6967 109.5123 0.2037 -1058.0802 0.0000 0.0000 2679.3207 6182.9411 295.9384 3503.6204 6215.3712 298.8430 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: 8851.84, 0.00391395/step Wall: 8851.84, 0.00391395/step, 0.323336 hours remaining, 115.902344 MB of memory in use. ENERGY: 2202600 633.8860 1841.6138 1947.4477 114.0206 0.3474 -1083.6911 0.0000 0.0000 2728.3207 6181.9452 301.3506 3453.6244 6216.9031 297.4999 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: 8852.63, 0.00392136/step Wall: 8852.63, 0.00392136/step, 0.32373 hours remaining, 115.902344 MB of memory in use. ENERGY: 2202800 681.4208 1813.2484 1984.3729 117.2617 1.7951 -1081.4095 0.0000 0.0000 2665.9503 6182.6398 294.4616 3516.6894 6213.0830 297.4363 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: 8853.41, 0.00392061/step Wall: 8853.41, 0.00392061/step, 0.32345 hours remaining, 115.902344 MB of memory in use. ENERGY: 2203000 681.9333 1817.5595 1945.3067 104.5162 0.6377 -1069.0863 0.0000 0.0000 2707.8979 6188.7650 299.0949 3480.8671 6222.1915 296.3276 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: 8854.2, 0.00391956/step Wall: 8854.2, 0.00391956/step, 0.323146 hours remaining, 115.902344 MB of memory in use. ENERGY: 2203200 641.7362 1786.8217 1954.7424 93.5581 -0.7357 -1051.8564 0.0000 0.0000 2714.5865 6138.8530 299.8336 3424.2665 6174.4870 297.5483 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: 8854.98, 0.00392061/step Wall: 8854.98, 0.00392061/step, 0.323014 hours remaining, 115.902344 MB of memory in use. ENERGY: 2203400 614.0639 1834.2047 1970.6131 108.1657 0.7886 -1062.7720 0.0000 0.0000 2706.0766 6171.1406 298.8937 3465.0640 6203.5899 298.1187 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: 8855.76, 0.00391328/step Wall: 8855.76, 0.00391328/step, 0.322193 hours remaining, 115.902344 MB of memory in use. ENERGY: 2203600 641.9600 1857.6216 1970.0745 115.3659 -0.2473 -1072.4229 0.0000 0.0000 2689.3378 6201.6897 297.0449 3512.3518 6234.2030 297.4103 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: 8856.55, 0.00392153/step Wall: 8856.55, 0.00392153/step, 0.322655 hours remaining, 115.902344 MB of memory in use. ENERGY: 2203800 659.1032 1830.9672 1970.6294 116.2703 0.3903 -1095.7958 0.0000 0.0000 2691.5765 6173.1411 297.2921 3481.5646 6208.5202 296.6221 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: 8857.33, 0.00392171/step Wall: 8857.33, 0.00392171/step, 0.322451 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2204000 666.0739 1768.7320 1956.3636 116.8282 0.7791 -1089.9897 0.0000 0.0000 2704.3918 6123.1788 298.7076 3418.7870 6159.1347 295.1936 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: 8858.11, 0.00392014/step Wall: 8858.11, 0.00392014/step, 0.322105 hours remaining, 115.902344 MB of memory in use. ENERGY: 2204200 644.9491 1846.7398 1970.9734 104.8715 1.2783 -1060.1241 0.0000 0.0000 2667.8744 6176.5624 294.6742 3508.6880 6207.8840 296.9351 LDB: ============= START OF LOAD BALANCING ============== 8860.82 LDB: ============== END OF LOAD BALANCING =============== 8860.82 LDB: =============== DONE WITH MIGRATION ================ 8860.82 LDB: ============= START OF LOAD BALANCING ============== 8861.21 LDB: ============== END OF LOAD BALANCING =============== 8861.21 LDB: =============== DONE WITH MIGRATION ================ 8861.21 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: 8858.9, 0.00392019/step Wall: 8858.9, 0.00392019/step, 0.321891 hours remaining, 115.902344 MB of memory in use. ENERGY: 2204400 692.3529 1860.1364 1955.6966 100.7726 1.5678 -1107.0050 0.0000 0.0000 2688.0637 6191.5850 296.9041 3503.5213 6221.2521 298.7468 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: 8859.68, 0.00392099/step Wall: 8859.68, 0.00392099/step, 0.321739 hours remaining, 115.902344 MB of memory in use. ENERGY: 2204600 653.8032 1842.7174 1953.8458 107.3491 0.0261 -1085.3528 0.0000 0.0000 2718.3586 6190.7474 300.2503 3472.3888 6223.8367 299.8289 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: 8860.47, 0.00392336/step Wall: 8860.47, 0.00392336/step, 0.321716 hours remaining, 115.902344 MB of memory in use. ENERGY: 2204800 703.8640 1823.1704 1956.0461 104.6590 -0.9923 -1064.0913 0.0000 0.0000 2693.5513 6216.2071 297.5102 3522.6558 6248.1312 298.7500 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: 8861.25, 0.00392049/step Wall: 8861.25, 0.00392049/step, 0.321262 hours remaining, 115.902344 MB of memory in use. ENERGY: 2205000 659.0516 1855.1273 1970.2016 116.2290 -0.2220 -1094.0058 0.0000 0.0000 2709.3771 6215.7588 299.2582 3506.3818 6251.4344 300.1836 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: 8862.04, 0.00392197/step Wall: 8862.04, 0.00392197/step, 0.321165 hours remaining, 115.902344 MB of memory in use. ENERGY: 2205200 681.0693 1835.0855 1983.2633 105.9430 -0.1472 -1100.6775 0.0000 0.0000 2673.2432 6177.7796 295.2672 3504.5364 6209.1179 298.2057 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: 8862.82, 0.00391534/step Wall: 8862.82, 0.00391534/step, 0.320405 hours remaining, 115.902344 MB of memory in use. ENERGY: 2205400 667.8856 1878.4337 1940.8404 120.3466 0.0979 -1090.4415 0.0000 0.0000 2698.1758 6215.3385 298.0210 3517.1628 6248.4324 299.5555 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: 8863.6, 0.00392238/step Wall: 8863.6, 0.00392238/step, 0.320764 hours remaining, 115.902344 MB of memory in use. ENERGY: 2205600 629.4930 1826.0893 1975.4677 112.6641 0.9715 -1093.1075 0.0000 0.0000 2782.7837 6234.3617 307.3662 3451.5780 6270.2511 300.6971 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: 8864.39, 0.00392053/step Wall: 8864.39, 0.00392053/step, 0.320394 hours remaining, 115.902344 MB of memory in use. ENERGY: 2205800 665.8581 1874.8451 1947.6642 123.4607 -0.1540 -1098.7932 0.0000 0.0000 2762.1231 6275.0041 305.0842 3512.8810 6309.1227 302.5716 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: 8865.17, 0.00391779/step Wall: 8865.17, 0.00391778/step, 0.319952 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2206000 668.7077 1837.6787 1974.2800 96.5163 0.3275 -1050.2005 0.0000 0.0000 2690.5811 6217.8909 297.1822 3527.3098 6251.8300 301.8967 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: 8865.95, 0.00391447/step Wall: 8865.95, 0.00391447/step, 0.319464 hours remaining, 115.902344 MB of memory in use. ENERGY: 2206200 678.0661 1863.8990 1962.4515 111.9443 0.6640 -1106.7750 0.0000 0.0000 2697.6948 6207.9447 297.9679 3510.2499 6240.9872 299.0523 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: 8866.74, 0.00392028/step Wall: 8866.74, 0.00392028/step, 0.319721 hours remaining, 115.902344 MB of memory in use. ENERGY: 2206400 646.8289 1877.7741 1972.3089 101.4869 0.5267 -1057.0161 0.0000 0.0000 2692.0122 6233.9218 297.3402 3541.9095 6268.1512 300.9577 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: 8867.52, 0.00391957/step Wall: 8867.52, 0.00391957/step, 0.319445 hours remaining, 115.902344 MB of memory in use. ENERGY: 2206600 644.5022 1879.3740 1977.0057 114.5590 0.0210 -1077.0632 0.0000 0.0000 2708.0386 6246.4374 299.1104 3538.3988 6276.6305 299.7426 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: 8868.31, 0.00391929/step Wall: 8868.31, 0.00391929/step, 0.319204 hours remaining, 115.902344 MB of memory in use. ENERGY: 2206800 643.5210 1870.2819 1986.8550 107.7388 0.8495 -1032.8311 0.0000 0.0000 2739.9358 6316.3509 302.6335 3576.4150 6345.3205 303.2017 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: 8869.09, 0.00391997/step Wall: 8869.09, 0.00391997/step, 0.319042 hours remaining, 115.902344 MB of memory in use. ENERGY: 2207000 632.8913 1890.7083 2016.0713 99.7773 0.9413 -1046.5831 0.0000 0.0000 2736.1529 6329.9591 302.2157 3593.8062 6362.1353 305.2027 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: 8869.87, 0.00391498/step Wall: 8869.87, 0.00391498/step, 0.318418 hours remaining, 115.902344 MB of memory in use. ENERGY: 2207200 646.4485 1924.8335 1974.8928 119.1426 0.5208 -1111.4114 0.0000 0.0000 2742.5420 6296.9689 302.9214 3554.4269 6329.1022 304.3160 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: 8870.66, 0.00391947/step Wall: 8870.66, 0.00391947/step, 0.318566 hours remaining, 115.902344 MB of memory in use. ENERGY: 2207400 623.3331 1899.4239 1970.4853 101.1701 1.0375 -1069.2505 0.0000 0.0000 2721.2775 6247.4768 300.5727 3526.1994 6278.1784 301.0571 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: 8871.44, 0.00391975/step Wall: 8871.44, 0.00391975/step, 0.318371 hours remaining, 115.902344 MB of memory in use. ENERGY: 2207600 654.6433 1876.0119 1982.7081 101.6366 0.7830 -1093.5295 0.0000 0.0000 2697.8503 6220.1036 297.9851 3522.2533 6250.7371 301.3933 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: 8872.22, 0.00391922/step Wall: 8872.22, 0.00391922/step, 0.31811 hours remaining, 115.902344 MB of memory in use. ENERGY: 2207800 673.4943 1831.1533 1965.4899 106.0541 1.1822 -1091.4175 0.0000 0.0000 2674.7632 6160.7194 295.4350 3485.9563 6192.1369 297.4561 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: 8873.01, 0.00391971/step Wall: 8873.01, 0.00391971/step, 0.317932 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2208000 661.5249 1809.9340 1972.0745 115.2502 1.0365 -1046.4325 0.0000 0.0000 2672.9590 6186.3467 295.2358 3513.3876 6220.0060 297.6466 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: 8873.79, 0.00391582/step Wall: 8873.79, 0.00391582/step, 0.317399 hours remaining, 115.902344 MB of memory in use. ENERGY: 2208200 670.0490 1833.7681 1970.1325 116.7141 0.3086 -1114.9353 0.0000 0.0000 2746.9278 6222.9647 303.4058 3476.0369 6258.1535 298.5424 LDB: ============= START OF LOAD BALANCING ============== 8876.49 LDB: ============== END OF LOAD BALANCING =============== 8876.49 LDB: =============== DONE WITH MIGRATION ================ 8876.49 LDB: ============= START OF LOAD BALANCING ============== 8876.89 LDB: ============== END OF LOAD BALANCING =============== 8876.89 LDB: =============== DONE WITH MIGRATION ================ 8876.89 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: 8874.58, 0.00392444/step Wall: 8874.58, 0.00392444/step, 0.31788 hours remaining, 115.902344 MB of memory in use. ENERGY: 2208400 657.4790 1891.2549 1963.8537 103.1589 1.0988 -1070.0482 0.0000 0.0000 2676.8804 6223.6774 295.6689 3546.7970 6257.2478 299.6432 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: 8875.36, 0.00392017/step Wall: 8875.36, 0.00392017/step, 0.317316 hours remaining, 115.902344 MB of memory in use. ENERGY: 2208600 655.1906 1879.0501 1960.4095 109.3691 -0.3106 -1077.9662 0.0000 0.0000 2713.7481 6239.4906 299.7410 3525.7426 6270.8564 300.4592 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: 8876.14, 0.00391961/step Wall: 8876.14, 0.00391961/step, 0.317053 hours remaining, 115.902344 MB of memory in use. ENERGY: 2208800 674.3607 1812.9765 1986.0151 111.2322 0.8701 -1068.1023 0.0000 0.0000 2696.7571 6214.1094 297.8643 3517.3524 6248.9296 301.4746 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: 8876.93, 0.00391451/step Wall: 8876.93, 0.00391451/step, 0.316423 hours remaining, 115.902344 MB of memory in use. ENERGY: 2209000 654.8160 1815.5370 1953.8155 119.5213 0.1656 -1019.1752 0.0000 0.0000 2710.5851 6235.2653 299.3917 3524.6802 6268.8525 298.8522 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: 8877.71, 0.00391959/step Wall: 8877.71, 0.00391959/step, 0.316616 hours remaining, 115.902344 MB of memory in use. ENERGY: 2209200 645.4435 1831.0906 1968.5802 117.3943 -0.7689 -1046.3435 0.0000 0.0000 2802.7216 6318.1178 309.5684 3515.3962 6352.5184 302.1175 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: 8878.5, 0.00393032/step Wall: 8878.5, 0.00393032/step, 0.317264 hours remaining, 115.902344 MB of memory in use. ENERGY: 2209400 625.5373 1887.3022 1952.4770 104.4036 -0.3451 -1042.4080 0.0000 0.0000 2731.3267 6258.2938 301.6826 3526.9671 6289.8225 303.3885 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: 8879.28, 0.00392164/step Wall: 8879.28, 0.00392164/step, 0.316346 hours remaining, 115.902344 MB of memory in use. ENERGY: 2209600 663.0125 1852.9224 2002.8486 102.2612 -0.1418 -1073.6057 0.0000 0.0000 2722.5428 6269.8399 300.7124 3547.2971 6302.9836 300.5982 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: 8880.07, 0.00392201/step Wall: 8880.07, 0.00392201/step, 0.316158 hours remaining, 115.902344 MB of memory in use. ENERGY: 2209800 634.2841 1870.7695 1961.6415 115.7586 -0.3411 -1049.5087 0.0000 0.0000 2738.2220 6270.8259 302.4442 3532.6039 6305.9761 300.6432 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: 8880.85, 0.0039161/step Wall: 8880.85, 0.0039161/step, 0.315464 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2210000 632.9016 1854.9178 1959.7145 120.6019 1.0655 -1056.1143 0.0000 0.0000 2743.7834 6256.8705 303.0585 3513.0870 6290.0410 301.3873 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2210000 WRITING COORDINATES TO DCD FILE MD.1.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: 8881.75, 0.00452361/step Wall: 8881.75, 0.00452361/step, 0.364151 hours remaining, 115.902344 MB of memory in use. ENERGY: 2210200 658.9142 1887.4066 1954.4945 98.4584 -0.3047 -1079.7982 0.0000 0.0000 2674.8708 6194.0416 295.4469 3519.1708 6224.3489 299.6898 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: 8882.54, 0.00392354/step Wall: 8882.54, 0.00392354/step, 0.315627 hours remaining, 115.902344 MB of memory in use. ENERGY: 2210400 627.6869 1872.3781 1982.0109 102.5425 0.5213 -1079.6896 0.0000 0.0000 2666.0675 6171.5177 294.4746 3505.4501 6206.3733 296.5691 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: 8883.32, 0.00392443/step Wall: 8883.32, 0.00392443/step, 0.31548 hours remaining, 115.902344 MB of memory in use. ENERGY: 2210600 622.7953 1823.0813 1977.2881 87.9188 -0.0680 -1080.1509 0.0000 0.0000 2692.6305 6123.4950 297.4085 3430.8645 6161.3938 296.4147 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: 8884.11, 0.00392116/step Wall: 8884.11, 0.00392117/step, 0.315001 hours remaining, 115.902344 MB of memory in use. ENERGY: 2210800 677.1698 1849.0770 1978.8765 116.1795 -0.4603 -1101.8469 0.0000 0.0000 2637.1395 6156.1353 291.2794 3518.9958 6186.0477 296.3453 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: 8884.89, 0.00391579/step Wall: 8884.89, 0.00391579/step, 0.314351 hours remaining, 115.902344 MB of memory in use. ENERGY: 2211000 630.9047 1835.7323 1926.3174 111.8376 0.4012 -1066.5437 0.0000 0.0000 2701.9005 6140.5500 298.4324 3438.6495 6173.9833 296.8133 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: 8885.68, 0.00392093/step Wall: 8885.68, 0.00392093/step, 0.314546 hours remaining, 115.902344 MB of memory in use. ENERGY: 2211200 639.1208 1858.7386 1964.5222 111.3330 1.1854 -1106.4717 0.0000 0.0000 2719.2611 6187.6894 300.3500 3468.4284 6224.2486 298.5886 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: 8886.46, 0.00392226/step Wall: 8886.46, 0.00392226/step, 0.314434 hours remaining, 115.902344 MB of memory in use. ENERGY: 2211400 651.7226 1794.5475 1946.9009 104.0972 -0.0375 -1082.4244 0.0000 0.0000 2737.0545 6151.8607 302.3153 3414.8062 6184.2211 296.8667 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: 8887.24, 0.00391979/step Wall: 8887.24, 0.00391979/step, 0.314018 hours remaining, 115.902344 MB of memory in use. ENERGY: 2211600 617.4626 1845.1503 1963.1155 100.6987 -0.1283 -1051.6146 0.0000 0.0000 2710.2904 6184.9745 299.3591 3474.6842 6216.9755 297.2550 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: 8888.03, 0.00391804/step Wall: 8888.03, 0.00391804/step, 0.31366 hours remaining, 115.902344 MB of memory in use. ENERGY: 2211800 676.3029 1838.8932 1950.1348 108.7547 -1.5443 -1091.5905 0.0000 0.0000 2700.3294 6181.2802 298.2589 3480.9507 6215.6756 297.7312 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: 8888.81, 0.00391486/step Wall: 8888.81, 0.00391486/step, 0.313189 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2212000 666.3996 1817.0109 1948.2273 102.7196 -0.9617 -1093.0143 0.0000 0.0000 2697.8837 6138.2650 297.9888 3440.3814 6172.3008 297.1401 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: 8889.59, 0.00392112/step Wall: 8889.59, 0.00392112/step, 0.313472 hours remaining, 115.902344 MB of memory in use. ENERGY: 2212200 666.2985 1843.9869 1965.7837 122.6350 -0.0205 -1079.6291 0.0000 0.0000 2637.3854 6156.4400 291.3066 3519.0545 6186.5714 294.9358 LDB: ============= START OF LOAD BALANCING ============== 8892.29 LDB: ============== END OF LOAD BALANCING =============== 8892.29 LDB: =============== DONE WITH MIGRATION ================ 8892.29 LDB: ============= START OF LOAD BALANCING ============== 8892.69 LDB: ============== END OF LOAD BALANCING =============== 8892.69 LDB: =============== DONE WITH MIGRATION ================ 8892.69 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: 8890.38, 0.00392984/step Wall: 8890.38, 0.00392984/step, 0.31395 hours remaining, 115.902344 MB of memory in use. ENERGY: 2212400 649.8917 1847.1502 1923.9485 115.8368 -0.1172 -1047.4938 0.0000 0.0000 2719.2967 6208.5129 300.3539 3489.2162 6242.4301 298.4337 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: 8891.17, 0.00392411/step Wall: 8891.17, 0.00392411/step, 0.313274 hours remaining, 115.902344 MB of memory in use. ENERGY: 2212600 643.6803 1895.2248 1953.2857 108.7418 0.6610 -1096.3240 0.0000 0.0000 2762.0115 6267.2812 305.0719 3505.2697 6302.7615 301.1896 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: 8891.95, 0.00391575/step Wall: 8891.95, 0.00391575/step, 0.31239 hours remaining, 115.902344 MB of memory in use. ENERGY: 2212800 661.1720 1863.6090 1965.6902 107.0877 0.4399 -1072.5380 0.0000 0.0000 2701.6216 6227.0825 298.4016 3525.4608 6260.4540 302.7050 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: 8892.73, 0.00392088/step Wall: 8892.73, 0.00392088/step, 0.312581 hours remaining, 115.902344 MB of memory in use. ENERGY: 2213000 657.1127 1853.5954 1959.6161 108.9701 0.3402 -1046.2409 0.0000 0.0000 2742.2846 6275.6783 302.8930 3533.3936 6308.1794 301.5532 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: 8893.52, 0.00392208/step Wall: 8893.52, 0.00392208/step, 0.312459 hours remaining, 115.902344 MB of memory in use. ENERGY: 2213200 661.9026 1865.5211 1953.7223 111.0521 0.5101 -1052.9804 0.0000 0.0000 2720.6034 6260.3312 300.4982 3539.7278 6293.9031 304.2024 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: 8894.3, 0.00392055/step Wall: 8894.3, 0.00392055/step, 0.312119 hours remaining, 115.902344 MB of memory in use. ENERGY: 2213400 708.3465 1895.0273 1925.1683 115.7039 0.6661 -1092.7659 0.0000 0.0000 2707.8425 6259.9887 299.0887 3552.1463 6290.7671 301.6339 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: 8895.09, 0.00392088/step Wall: 8895.09, 0.00392088/step, 0.311928 hours remaining, 115.902344 MB of memory in use. ENERGY: 2213600 671.9209 1870.8397 1984.0041 116.8071 -0.4768 -1071.8382 0.0000 0.0000 2679.7583 6251.0150 295.9868 3571.2567 6284.5911 302.7689 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: 8895.87, 0.00391425/step Wall: 8895.87, 0.00391425/step, 0.311183 hours remaining, 115.902344 MB of memory in use. ENERGY: 2213800 639.9300 1845.2153 1985.3204 105.8195 1.0786 -1076.3282 0.0000 0.0000 2718.2750 6219.3106 300.2410 3501.0356 6251.3322 300.6673 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: 8896.65, 0.00392279/step Wall: 8896.65, 0.00392279/step, 0.311644 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2214000 671.1067 1820.1405 1983.7444 103.2491 0.5623 -1070.6240 0.0000 0.0000 2671.7110 6179.8900 295.0979 3508.1790 6212.5301 298.9831 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: 8897.44, 0.00392044/step Wall: 8897.44, 0.00392044/step, 0.311239 hours remaining, 115.902344 MB of memory in use. ENERGY: 2214200 669.4711 1801.6765 1949.0840 109.2308 1.7031 -1043.7543 0.0000 0.0000 2681.2259 6168.6371 296.1489 3487.4112 6201.4281 296.9010 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: 8898.22, 0.00392031/step Wall: 8898.22, 0.00392031/step, 0.311011 hours remaining, 115.902344 MB of memory in use. ENERGY: 2214400 655.1458 1828.1538 1976.5276 116.8375 1.6656 -1034.4873 0.0000 0.0000 2715.7693 6259.6123 299.9643 3543.8430 6289.6525 298.1877 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: 8899, 0.00391449/step Wall: 8899, 0.00391449/step, 0.310332 hours remaining, 115.902344 MB of memory in use. ENERGY: 2214600 665.1220 1806.8641 1978.3313 98.5813 0.3657 -1066.8810 0.0000 0.0000 2759.6579 6242.0412 304.8119 3482.3833 6276.8790 300.8657 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: 8899.79, 0.00392058/step Wall: 8899.79, 0.00392058/step, 0.310597 hours remaining, 115.902344 MB of memory in use. ENERGY: 2214800 663.3517 1867.9481 1959.2474 109.0207 2.5542 -1095.0782 0.0000 0.0000 2735.1586 6242.2027 302.1059 3507.0440 6272.5611 302.2893 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: 8900.57, 0.00391925/step Wall: 8900.57, 0.00391925/step, 0.310274 hours remaining, 115.902344 MB of memory in use. ENERGY: 2215000 652.6797 1905.7250 1963.3906 101.8230 1.6249 -1080.4129 0.0000 0.0000 2721.8420 6266.6724 300.6350 3544.8304 6298.7851 300.7629 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: 8901.36, 0.00391939/step Wall: 8901.36, 0.00391939/step, 0.310067 hours remaining, 115.902344 MB of memory in use. ENERGY: 2215200 673.3129 1866.5072 1951.9846 103.5746 0.5592 -1074.7703 0.0000 0.0000 2755.9865 6277.1547 304.4064 3521.1682 6309.3426 303.2795 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: 8902.14, 0.00391748/step Wall: 8902.14, 0.00391748/step, 0.309699 hours remaining, 115.902344 MB of memory in use. ENERGY: 2215400 661.7197 1896.4026 1974.4444 103.5608 0.2380 -1103.1136 0.0000 0.0000 2728.2471 6261.4991 301.3425 3533.2519 6297.0913 304.2590 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: 8902.92, 0.003914/step Wall: 8902.92, 0.003914/step, 0.309206 hours remaining, 115.902344 MB of memory in use. ENERGY: 2215600 679.5173 1801.9166 1996.8359 114.1358 0.7904 -1082.2470 0.0000 0.0000 2724.5887 6235.5376 300.9384 3510.9489 6268.5838 301.5072 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: 8903.71, 0.00391914/step Wall: 8903.71, 0.00391914/step, 0.309394 hours remaining, 115.902344 MB of memory in use. ENERGY: 2215800 680.7080 1895.5437 1963.6713 106.7856 1.5045 -1104.8155 0.0000 0.0000 2685.0189 6228.4165 296.5678 3543.3977 6263.3394 301.1328 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: 8904.49, 0.0039194/step Wall: 8904.49, 0.00391941/step, 0.309198 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2216000 669.5506 1873.9751 1947.1446 114.2870 0.7778 -1104.3106 0.0000 0.0000 2697.1351 6198.5595 297.9061 3501.4245 6230.0370 300.1310 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: 8905.27, 0.00391779/step Wall: 8905.27, 0.00391779/step, 0.308852 hours remaining, 115.902344 MB of memory in use. ENERGY: 2216200 661.0227 1831.7210 1955.8558 103.9557 2.8847 -1069.8476 0.0000 0.0000 2710.2836 6195.8760 299.3584 3485.5924 6232.9861 300.8938 LDB: ============= START OF LOAD BALANCING ============== 8907.97 LDB: ============== END OF LOAD BALANCING =============== 8907.97 LDB: =============== DONE WITH MIGRATION ================ 8907.97 LDB: ============= START OF LOAD BALANCING ============== 8908.37 LDB: ============== END OF LOAD BALANCING =============== 8908.37 LDB: =============== DONE WITH MIGRATION ================ 8908.37 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: 8906.06, 0.00392155/step Wall: 8906.06, 0.00392155/step, 0.308931 hours remaining, 115.902344 MB of memory in use. ENERGY: 2216400 653.6017 1846.0883 1945.1654 104.5823 1.9801 -1065.8466 0.0000 0.0000 2712.2632 6197.8344 299.5770 3485.5712 6229.7315 297.7558 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: 8906.84, 0.00391477/step Wall: 8906.84, 0.00391477/step, 0.308179 hours remaining, 115.902344 MB of memory in use. ENERGY: 2216600 640.2528 1822.8248 1966.6221 117.2816 1.4718 -1054.8420 0.0000 0.0000 2687.4760 6181.0872 296.8392 3493.6113 6215.2679 297.9869 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: 8907.62, 0.00391848/step Wall: 8907.62, 0.00391848/step, 0.308254 hours remaining, 115.902344 MB of memory in use. ENERGY: 2216800 658.4538 1896.7496 1952.7249 105.8783 1.4306 -1087.2211 0.0000 0.0000 2650.9182 6178.9343 292.8013 3528.0161 6212.7671 299.2128 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: 8908.41, 0.00391859/step Wall: 8908.41, 0.00391859/step, 0.308044 hours remaining, 115.902344 MB of memory in use. ENERGY: 2217000 696.4943 1886.7636 1937.9573 107.9687 1.1352 -1111.3190 0.0000 0.0000 2689.9683 6208.9684 297.1145 3519.0001 6238.6856 300.0678 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: 8909.19, 0.00391657/step Wall: 8909.19, 0.00391657/step, 0.307668 hours remaining, 115.902344 MB of memory in use. ENERGY: 2217200 642.8088 1841.0522 1988.2546 113.5007 0.7483 -1044.1200 0.0000 0.0000 2673.1707 6215.4154 295.2592 3542.2446 6245.5659 298.4755 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: 8909.97, 0.00391228/step Wall: 8909.97, 0.00391228/step, 0.307114 hours remaining, 115.902344 MB of memory in use. ENERGY: 2217400 630.2729 1859.4949 1959.3024 114.5524 1.4143 -1079.9263 0.0000 0.0000 2717.1079 6202.2185 300.1121 3485.1106 6234.6710 299.0011 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: 8910.76, 0.00391814/step Wall: 8910.76, 0.00391814/step, 0.307356 hours remaining, 115.902344 MB of memory in use. ENERGY: 2217600 628.1400 1888.7201 1989.5687 101.3778 1.2840 -1049.9027 0.0000 0.0000 2672.3427 6231.5306 295.1677 3559.1879 6263.6884 300.1147 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: 8911.54, 0.0039177/step Wall: 8911.54, 0.0039177/step, 0.307104 hours remaining, 115.902344 MB of memory in use. ENERGY: 2217800 660.1547 1850.8508 1926.3153 103.4774 0.8169 -1046.0332 0.0000 0.0000 2739.8483 6235.4301 302.6239 3495.5818 6268.9940 299.2076 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: 8912.32, 0.00391825/step Wall: 8912.32, 0.00391825/step, 0.30693 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2218000 648.6423 1870.3188 1948.5541 104.8388 0.9628 -1035.5606 0.0000 0.0000 2698.4075 6236.1638 298.0466 3537.7563 6271.1388 301.4318 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: 8913.11, 0.00391872/step Wall: 8913.11, 0.00391872/step, 0.306748 hours remaining, 115.902344 MB of memory in use. ENERGY: 2218200 651.4873 1807.8168 1969.1773 100.7330 1.5705 -1059.5244 0.0000 0.0000 2769.1425 6240.4029 305.8595 3471.2603 6275.2557 299.9200 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: 8913.89, 0.00391131/step Wall: 8913.89, 0.00391131/step, 0.305951 hours remaining, 115.902344 MB of memory in use. ENERGY: 2218400 615.5126 1868.6190 1972.0274 109.2642 2.1264 -1081.0128 0.0000 0.0000 2767.6063 6254.1431 305.6898 3486.5368 6288.8467 300.1569 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: 8914.67, 0.00391682/step Wall: 8914.67, 0.00391682/step, 0.306165 hours remaining, 115.902344 MB of memory in use. ENERGY: 2218600 629.6066 1875.4054 2003.3679 108.9882 1.1446 -1062.2130 0.0000 0.0000 2701.0905 6257.3902 298.3430 3556.2997 6289.3536 301.4523 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: 8915.46, 0.00391641/step Wall: 8915.46, 0.00391641/step, 0.305915 hours remaining, 115.902344 MB of memory in use. ENERGY: 2218800 691.5880 1813.9197 1955.5072 114.6576 0.5987 -1071.0608 0.0000 0.0000 2775.1589 6280.3693 306.5240 3505.2104 6314.5436 302.3359 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: 8916.24, 0.0039176/step Wall: 8916.24, 0.0039176/step, 0.305791 hours remaining, 115.902344 MB of memory in use. ENERGY: 2219000 654.3796 1859.2868 1977.0550 115.0903 0.1917 -1067.5813 0.0000 0.0000 2747.6933 6286.1154 303.4904 3538.4220 6319.7441 303.2826 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: 8917.02, 0.00391409/step Wall: 8917.02, 0.00391409/step, 0.305299 hours remaining, 115.902344 MB of memory in use. ENERGY: 2219200 662.2026 1831.6624 1946.5437 118.4498 1.0173 -1052.8413 0.0000 0.0000 2746.0111 6253.0455 303.3046 3507.0344 6287.7932 303.2872 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: 8917.81, 0.00391762/step Wall: 8917.81, 0.00391762/step, 0.305356 hours remaining, 115.902344 MB of memory in use. ENERGY: 2219400 674.1205 1892.9858 1977.1242 105.4368 1.2711 -1095.5171 0.0000 0.0000 2745.9256 6301.3469 303.2951 3555.4214 6335.9685 301.4711 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: 8918.59, 0.00392725/step Wall: 8918.59, 0.00392725/step, 0.30589 hours remaining, 115.902344 MB of memory in use. ENERGY: 2219600 661.7477 1876.8374 1973.8117 108.8482 0.8452 -1062.4668 0.0000 0.0000 2719.6667 6279.2901 300.3948 3559.6234 6314.9427 304.4564 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: 8919.38, 0.00391824/step Wall: 8919.38, 0.00391824/step, 0.30497 hours remaining, 115.902344 MB of memory in use. ENERGY: 2219800 688.8740 1862.5195 1971.0622 125.7369 0.7996 -1068.7407 0.0000 0.0000 2740.1680 6320.4195 302.6592 3580.2515 6354.7291 305.1818 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: 8920.16, 0.00391636/step Wall: 8920.16, 0.00391636/step, 0.304606 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2220000 662.7097 1889.0253 1963.5257 124.0882 0.3546 -1030.4165 0.0000 0.0000 2725.6317 6334.9186 301.0536 3609.2868 6368.5808 305.4688 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2220000 WRITING COORDINATES TO DCD FILE MD.1.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: 8920.98, 0.00409579/step Wall: 8920.98, 0.00409579/step, 0.318334 hours remaining, 115.902344 MB of memory in use. ENERGY: 2220200 678.8390 1883.1897 1949.1993 114.8844 1.3342 -1055.1338 0.0000 0.0000 2729.6976 6302.0104 301.5027 3572.3128 6336.7603 304.1639 LDB: ============= START OF LOAD BALANCING ============== 8923.68 LDB: ============== END OF LOAD BALANCING =============== 8923.68 LDB: =============== DONE WITH MIGRATION ================ 8923.68 LDB: ============= START OF LOAD BALANCING ============== 8924.07 LDB: ============== END OF LOAD BALANCING =============== 8924.07 LDB: =============== DONE WITH MIGRATION ================ 8924.07 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: 8921.76, 0.00392171/step Wall: 8921.76, 0.00392171/step, 0.304586 hours remaining, 115.902344 MB of memory in use. ENERGY: 2220400 657.8057 1822.1566 1998.7174 110.1850 0.0374 -1048.4241 0.0000 0.0000 2763.2497 6303.7277 305.2086 3540.4780 6335.5168 303.5120 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: 8922.55, 0.00391595/step Wall: 8922.55, 0.00391595/step, 0.303921 hours remaining, 115.902344 MB of memory in use. ENERGY: 2220600 659.9781 1838.4005 1989.9882 110.6613 1.6909 -1066.1402 0.0000 0.0000 2718.5958 6253.1746 300.2765 3534.5788 6286.0729 301.4483 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: 8923.33, 0.00391559/step Wall: 8923.33, 0.00391559/step, 0.303675 hours remaining, 115.902344 MB of memory in use. ENERGY: 2220800 615.0348 1874.4878 1960.3746 112.8204 1.6287 -1045.1194 0.0000 0.0000 2701.6478 6220.8747 298.4045 3519.2269 6252.9725 299.4965 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: 8924.11, 0.00391551/step Wall: 8924.11, 0.00391551/step, 0.303452 hours remaining, 115.902344 MB of memory in use. ENERGY: 2221000 638.7097 1829.3517 1967.6871 110.3794 1.7445 -1069.8519 0.0000 0.0000 2739.9775 6217.9982 302.6381 3478.0207 6251.6582 299.5282 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: 8924.89, 0.00390983/step Wall: 8924.89, 0.00390983/step, 0.302795 hours remaining, 115.902344 MB of memory in use. ENERGY: 2221200 676.3862 1835.9914 1963.7195 113.2845 1.6692 -1067.4577 0.0000 0.0000 2700.1953 6223.7883 298.2441 3523.5930 6255.5023 299.0617 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: 8925.68, 0.00391442/step Wall: 8925.68, 0.00391442/step, 0.302933 hours remaining, 115.902344 MB of memory in use. ENERGY: 2221400 684.0921 1811.3951 1951.7650 105.2778 0.8805 -1087.6806 0.0000 0.0000 2744.3180 6210.0479 303.1176 3465.7299 6245.5339 298.4454 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: 8926.46, 0.00391539/step Wall: 8926.46, 0.00391539/step, 0.30279 hours remaining, 115.902344 MB of memory in use. ENERGY: 2221600 623.8410 1816.0790 1973.5544 107.5915 1.8881 -1024.6015 0.0000 0.0000 2707.7062 6206.0588 299.0737 3498.3526 6239.0163 298.1826 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: 8927.24, 0.00391359/step Wall: 8927.24, 0.00391359/step, 0.302434 hours remaining, 115.902344 MB of memory in use. ENERGY: 2221800 664.8374 1888.6633 1995.2856 115.7255 0.9293 -1063.3340 0.0000 0.0000 2655.7302 6257.8373 293.3328 3602.1072 6288.0352 299.2650 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: 8928.02, 0.00390883/step Wall: 8928.02, 0.00390883/step, 0.301849 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2222000 635.1418 1838.5625 1961.3346 116.4574 1.9332 -1042.6917 0.0000 0.0000 2765.1157 6275.8535 305.4147 3510.7378 6306.9748 301.9590 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: 8928.81, 0.00391548/step Wall: 8928.81, 0.00391548/step, 0.302144 hours remaining, 115.902344 MB of memory in use. ENERGY: 2222200 668.7573 1814.6053 1977.0814 102.0300 1.7819 -1058.6194 0.0000 0.0000 2784.1328 6289.7692 307.5152 3505.6365 6321.8403 303.4636 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: 8929.59, 0.0039145/step Wall: 8929.59, 0.00391451/step, 0.301852 hours remaining, 115.902344 MB of memory in use. ENERGY: 2222400 641.7250 1848.1670 1968.9761 102.3669 1.0538 -1047.5481 0.0000 0.0000 2728.2231 6242.9637 301.3398 3514.7407 6273.8161 302.4194 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: 8930.37, 0.00391496/step Wall: 8930.37, 0.00391495/step, 0.301669 hours remaining, 115.902344 MB of memory in use. ENERGY: 2222600 645.7643 1805.1373 1984.8290 104.1904 0.5958 -1044.4597 0.0000 0.0000 2708.5567 6204.6138 299.1676 3496.0571 6241.3584 299.3252 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: 8931.16, 0.00391467/step Wall: 8931.16, 0.00391468/step, 0.30143 hours remaining, 115.902344 MB of memory in use. ENERGY: 2222800 647.1953 1816.2269 1959.4520 118.1772 1.6898 -1061.4909 0.0000 0.0000 2660.2946 6141.5448 293.8369 3481.2502 6168.9734 295.9531 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: 8931.94, 0.00391008/step Wall: 8931.94, 0.00391008/step, 0.300859 hours remaining, 115.902344 MB of memory in use. ENERGY: 2223000 631.8812 1856.0364 1950.1921 109.3620 0.3976 -1048.3615 0.0000 0.0000 2683.8969 6183.4047 296.4439 3499.5078 6216.9748 296.4832 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: 8932.72, 0.00391575/step Wall: 8932.72, 0.00391575/step, 0.301077 hours remaining, 115.902344 MB of memory in use. ENERGY: 2223200 644.5206 1837.6459 1962.5333 110.2049 0.1751 -1056.5065 0.0000 0.0000 2690.8439 6189.4172 297.2112 3498.5733 6220.5109 298.9300 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: 8933.51, 0.00391899/step Wall: 8933.51, 0.00391899/step, 0.301109 hours remaining, 115.902344 MB of memory in use. ENERGY: 2223400 639.2289 1873.2974 1963.7526 109.5268 0.6984 -1080.6067 0.0000 0.0000 2659.0184 6164.9156 293.6960 3505.8972 6197.5801 298.7383 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: 8934.29, 0.00391752/step Wall: 8934.29, 0.00391752/step, 0.300778 hours remaining, 115.902344 MB of memory in use. ENERGY: 2223600 636.9177 1859.3475 1939.9374 103.0848 0.0369 -1077.3664 0.0000 0.0000 2694.3683 6156.3262 297.6005 3461.9578 6191.8553 294.7604 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: 8935.07, 0.0039122/step Wall: 8935.07, 0.0039122/step, 0.300153 hours remaining, 115.902344 MB of memory in use. ENERGY: 2223800 669.2751 1800.4418 1986.0786 98.1411 1.1461 -1066.2268 0.0000 0.0000 2667.0060 6155.8619 294.5782 3488.8559 6189.6189 295.1565 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: 8935.85, 0.00391697/step Wall: 8935.85, 0.00391697/step, 0.300301 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2224000 628.3666 1860.5202 1964.2300 114.1701 1.5007 -1089.3258 0.0000 0.0000 2694.2226 6173.6844 297.5844 3479.4618 6206.4495 295.9332 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: 8936.64, 0.0039168/step Wall: 8936.64, 0.0039168/step, 0.30007 hours remaining, 115.902344 MB of memory in use. ENERGY: 2224200 624.8556 1818.8522 1968.0790 105.8073 1.5362 -1074.5443 0.0000 0.0000 2704.6276 6149.2136 298.7337 3444.5860 6181.4696 297.6875 LDB: ============= START OF LOAD BALANCING ============== 8939.34 LDB: ============== END OF LOAD BALANCING =============== 8939.34 LDB: =============== DONE WITH MIGRATION ================ 8939.34 LDB: ============= START OF LOAD BALANCING ============== 8939.73 LDB: ============== END OF LOAD BALANCING =============== 8939.73 LDB: =============== DONE WITH MIGRATION ================ 8939.73 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: 8937.42, 0.00392085/step Wall: 8937.42, 0.00392085/step, 0.300163 hours remaining, 115.902344 MB of memory in use. ENERGY: 2224400 657.7134 1789.4321 1981.7518 118.3156 1.4154 -1082.8392 0.0000 0.0000 2729.4944 6195.2835 301.4803 3465.7891 6229.7700 296.5979 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: 8938.21, 0.00391714/step Wall: 8938.21, 0.00391714/step, 0.299661 hours remaining, 115.902344 MB of memory in use. ENERGY: 2224600 642.3243 1863.3248 1952.3368 111.2801 2.0460 -1084.1302 0.0000 0.0000 2702.4186 6189.6004 298.4897 3487.1818 6223.5938 299.0312 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: 8938.99, 0.00391361/step Wall: 8938.99, 0.00391361/step, 0.299174 hours remaining, 115.902344 MB of memory in use. ENERGY: 2224800 616.2637 1829.1953 1952.9865 117.8098 1.2954 -1091.2165 0.0000 0.0000 2730.6600 6156.9942 301.6090 3426.3342 6194.4548 298.4135 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: 8939.77, 0.00391764/step Wall: 8939.77, 0.00391763/step, 0.299263 hours remaining, 115.902344 MB of memory in use. ENERGY: 2225000 668.4597 1832.1677 1965.4905 106.5133 0.9023 -1053.8362 0.0000 0.0000 2663.0388 6182.7361 294.1401 3519.6973 6217.0057 296.5807 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: 8940.56, 0.00391649/step Wall: 8940.56, 0.00391649/step, 0.298959 hours remaining, 115.902344 MB of memory in use. ENERGY: 2225200 669.4859 1874.6055 1972.3092 107.9630 1.8337 -1074.8873 0.0000 0.0000 2691.3617 6242.6717 297.2684 3551.3100 6272.4278 297.8695 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: 8941.34, 0.00391782/step Wall: 8941.34, 0.00391782/step, 0.298843 hours remaining, 115.902344 MB of memory in use. ENERGY: 2225400 666.7069 1892.4277 1950.7723 119.0796 2.3207 -1056.5571 0.0000 0.0000 2671.1407 6245.8907 295.0349 3574.7500 6278.6655 301.2586 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: 8942.12, 0.00391495/step Wall: 8942.12, 0.00391495/step, 0.298406 hours remaining, 115.902344 MB of memory in use. ENERGY: 2225600 665.6324 1888.0669 1952.5255 116.5972 3.2890 -1082.9606 0.0000 0.0000 2755.6952 6298.8456 304.3742 3543.1504 6331.3734 303.1878 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: 8942.91, 0.00391635/step Wall: 8942.91, 0.00391635/step, 0.298295 hours remaining, 115.902344 MB of memory in use. ENERGY: 2225800 646.3035 1873.3727 1963.6540 122.3150 2.5863 -1056.3720 0.0000 0.0000 2773.5474 6325.4070 306.3460 3551.8597 6362.4899 305.0874 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: 8943.69, 0.00391894/step Wall: 8943.69, 0.00391894/step, 0.298275 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2226000 671.5956 1842.9103 1956.9400 101.0933 1.1429 -1060.1386 0.0000 0.0000 2807.8999 6321.4435 310.1404 3513.5435 6358.1538 304.9156 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: 8944.47, 0.00391912/step Wall: 8944.47, 0.00391912/step, 0.298071 hours remaining, 115.902344 MB of memory in use. ENERGY: 2226200 682.7597 1875.1933 1923.1866 117.9483 2.2385 -1071.1610 0.0000 0.0000 2765.3829 6295.5483 305.4442 3530.1654 6331.0412 305.3799 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: 8945.26, 0.00391621/step Wall: 8945.26, 0.00391621/step, 0.297632 hours remaining, 115.902344 MB of memory in use. ENERGY: 2226400 660.7760 1897.2228 1942.5716 108.9270 1.3285 -1090.5610 0.0000 0.0000 2717.4729 6237.7379 300.1525 3520.2649 6270.1909 303.1331 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: 8946.04, 0.00391194/step Wall: 8946.04, 0.00391194/step, 0.29709 hours remaining, 115.902344 MB of memory in use. ENERGY: 2226600 638.8488 1895.0221 1956.1172 112.1655 1.2178 -1071.7003 0.0000 0.0000 2737.1163 6268.7875 302.3221 3531.6712 6301.9205 300.6130 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: 8946.82, 0.00391934/step Wall: 8946.82, 0.00391934/step, 0.297434 hours remaining, 115.902344 MB of memory in use. ENERGY: 2226800 688.4635 1881.2884 1961.7280 101.7694 2.3463 -1048.0536 0.0000 0.0000 2695.5364 6283.0785 297.7295 3587.5421 6315.5993 301.4908 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: 8947.61, 0.00391633/step Wall: 8947.61, 0.00391633/step, 0.296988 hours remaining, 115.902344 MB of memory in use. ENERGY: 2227000 664.4220 1814.2126 1998.5706 118.9596 1.6087 -1074.9747 0.0000 0.0000 2733.9790 6256.7778 301.9756 3522.7988 6291.2329 301.5551 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: 8948.39, 0.00391704/step Wall: 8948.39, 0.00391704/step, 0.296825 hours remaining, 115.902344 MB of memory in use. ENERGY: 2227200 684.3012 1832.8195 1978.0009 115.5535 0.6729 -1113.2180 0.0000 0.0000 2761.6994 6259.8293 305.0374 3498.1299 6293.9904 299.8931 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: 8949.17, 0.00391699/step Wall: 8949.17, 0.00391699/step, 0.296603 hours remaining, 115.902344 MB of memory in use. ENERGY: 2227400 668.9169 1803.1353 1968.2804 105.2040 1.1845 -1060.4571 0.0000 0.0000 2759.4432 6245.7071 304.7882 3486.2640 6279.3828 300.9152 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: 8949.95, 0.0039126/step Wall: 8949.95, 0.0039126/step, 0.296053 hours remaining, 115.902344 MB of memory in use. ENERGY: 2227600 674.5174 1813.5772 1958.3766 112.7069 0.3541 -1064.5931 0.0000 0.0000 2740.5466 6235.4857 302.7010 3494.9391 6270.2030 301.3836 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: 8950.74, 0.00393064/step Wall: 8950.74, 0.00393065/step, 0.297201 hours remaining, 115.902344 MB of memory in use. ENERGY: 2227800 654.2095 1874.0540 1968.5730 95.4382 0.6162 -1079.0801 0.0000 0.0000 2732.8707 6246.6815 301.8532 3513.8108 6278.4373 301.5773 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: 8951.53, 0.00392146/step Wall: 8951.53, 0.00392146/step, 0.296288 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2228000 645.7132 1823.7692 1955.4824 104.3338 0.3386 -1051.2687 0.0000 0.0000 2699.6692 6178.0377 298.1860 3478.3685 6211.5932 299.4321 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: 8952.31, 0.00391961/step Wall: 8952.31, 0.00391961/step, 0.295931 hours remaining, 115.902344 MB of memory in use. ENERGY: 2228200 631.3454 1828.2775 1956.2111 110.1069 0.6986 -1067.0772 0.0000 0.0000 2693.9538 6153.5160 297.5547 3459.5622 6187.4422 296.6518 LDB: ============= START OF LOAD BALANCING ============== 8955.01 LDB: ============== END OF LOAD BALANCING =============== 8955.01 LDB: =============== DONE WITH MIGRATION ================ 8955.01 LDB: ============= START OF LOAD BALANCING ============== 8955.4 LDB: ============== END OF LOAD BALANCING =============== 8955.4 LDB: =============== DONE WITH MIGRATION ================ 8955.4 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: 8953.09, 0.00391957/step Wall: 8953.09, 0.00391957/step, 0.295709 hours remaining, 115.902344 MB of memory in use. ENERGY: 2228400 657.3095 1841.3431 1954.1935 113.3538 0.8464 -1093.5907 0.0000 0.0000 2670.9045 6144.3601 295.0088 3473.4556 6174.0315 295.7265 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: 8953.88, 0.00391868/step Wall: 8953.88, 0.00391868/step, 0.295425 hours remaining, 115.902344 MB of memory in use. ENERGY: 2228600 631.3974 1839.0780 1951.6686 116.0503 0.5661 -1094.1843 0.0000 0.0000 2729.0422 6173.6183 301.4303 3444.5761 6205.4963 297.6818 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: 8954.66, 0.00391822/step Wall: 8954.66, 0.00391822/step, 0.295172 hours remaining, 115.902344 MB of memory in use. ENERGY: 2228800 641.7413 1904.2548 1964.5637 113.2972 1.3478 -1098.7219 0.0000 0.0000 2678.4555 6204.9383 295.8429 3526.4828 6235.9765 299.0686 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: 8955.44, 0.00391959/step Wall: 8955.44, 0.00391959/step, 0.295058 hours remaining, 115.902344 MB of memory in use. ENERGY: 2229000 654.6487 1857.4462 1947.1780 96.3720 0.9385 -1083.6656 0.0000 0.0000 2727.8850 6200.8028 301.3025 3472.9178 6236.8090 299.1613 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: 8956.23, 0.00391814/step Wall: 8956.23, 0.00391814/step, 0.294731 hours remaining, 115.902344 MB of memory in use. ENERGY: 2229200 636.3366 1829.4910 1967.9525 121.5843 -0.1014 -1096.0750 0.0000 0.0000 2721.9328 6181.1208 300.6451 3459.1880 6216.6040 299.9207 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: 8957.01, 0.00391379/step Wall: 8957.01, 0.00391379/step, 0.294187 hours remaining, 115.902344 MB of memory in use. ENERGY: 2229400 649.9523 1829.2039 1952.7090 107.3299 1.1361 -1108.6453 0.0000 0.0000 2684.1913 6115.8774 296.4764 3431.6861 6150.6368 296.9174 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: 8957.79, 0.00391977/step Wall: 8957.79, 0.00391977/step, 0.294418 hours remaining, 115.902344 MB of memory in use. ENERGY: 2229600 648.5078 1849.2729 1914.2805 110.7413 1.2303 -1084.4803 0.0000 0.0000 2664.3756 6103.9282 294.2877 3439.5526 6136.2108 294.1774 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: 8958.58, 0.00392859/step Wall: 8958.58, 0.00392859/step, 0.294862 hours remaining, 115.902344 MB of memory in use. ENERGY: 2229800 626.3672 1854.1901 1941.7329 98.0578 1.2073 -1075.3449 0.0000 0.0000 2689.3290 6135.5394 297.0439 3446.2104 6169.2346 295.0589 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: 8959.36, 0.00392191/step Wall: 8959.36, 0.00392191/step, 0.294143 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2230000 642.1142 1833.0065 1946.6983 107.6284 1.5465 -1061.8153 0.0000 0.0000 2713.6678 6182.8464 299.7322 3469.1786 6217.8734 296.5699 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2230000 WRITING COORDINATES TO DCD FILE MD.1.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: 8960.18, 0.00409804/step Wall: 8960.18, 0.00409804/step, 0.307125 hours remaining, 115.902344 MB of memory in use. ENERGY: 2230200 647.4938 1841.2792 1971.2577 118.3031 0.4636 -1073.2684 0.0000 0.0000 2696.4570 6201.9861 297.8312 3505.5291 6232.4336 299.3671 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: 8960.97, 0.00390969/step Wall: 8960.97, 0.00390969/step, 0.292792 hours remaining, 115.902344 MB of memory in use. ENERGY: 2230400 639.5819 1853.4342 1924.5910 112.1284 0.0860 -1099.6507 0.0000 0.0000 2711.8455 6142.0163 299.5309 3430.1708 6177.8662 299.1255 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: 8961.75, 0.00391611/step Wall: 8961.75, 0.00391611/step, 0.293055 hours remaining, 115.902344 MB of memory in use. ENERGY: 2230600 639.9402 1873.6122 1953.8541 109.2345 -0.0226 -1098.5698 0.0000 0.0000 2727.6416 6205.6902 301.2756 3478.0486 6236.3246 297.0653 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: 8962.53, 0.00391676/step Wall: 8962.53, 0.00391676/step, 0.292887 hours remaining, 115.902344 MB of memory in use. ENERGY: 2230800 673.8780 1844.5139 1955.0887 110.2439 0.1588 -1098.0878 0.0000 0.0000 2685.1814 6170.9770 296.5858 3485.7956 6206.4064 298.3113 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: 8963.32, 0.00391525/step Wall: 8963.32, 0.00391525/step, 0.292556 hours remaining, 115.902344 MB of memory in use. ENERGY: 2231000 640.9351 1816.6632 1960.7880 99.2594 1.1417 -1095.4320 0.0000 0.0000 2658.4052 6081.7606 293.6283 3423.3554 6114.8937 295.2655 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: 8964.1, 0.00390846/step Wall: 8964.1, 0.00390846/step, 0.291831 hours remaining, 115.902344 MB of memory in use. ENERGY: 2231200 677.3294 1837.9065 1941.3663 104.6169 0.6793 -1076.8842 0.0000 0.0000 2649.6132 6134.6273 292.6572 3485.0141 6164.0871 294.2650 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: 8964.88, 0.00391523/step Wall: 8964.88, 0.00391523/step, 0.29212 hours remaining, 115.902344 MB of memory in use. ENERGY: 2231400 657.1074 1820.4357 1986.9678 107.7032 0.2228 -1048.2831 0.0000 0.0000 2635.2915 6159.4453 291.0753 3524.1538 6190.6598 296.0973 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: 8965.66, 0.0039163/step Wall: 8965.66, 0.0039163/step, 0.291982 hours remaining, 115.902344 MB of memory in use. ENERGY: 2231600 633.2092 1863.7873 1962.9298 113.3495 1.3158 -1125.4904 0.0000 0.0000 2717.6675 6166.7686 300.1739 3449.1011 6197.7167 297.1547 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: 8966.45, 0.0039203/step Wall: 8966.45, 0.0039203/step, 0.292063 hours remaining, 115.902344 MB of memory in use. ENERGY: 2231800 678.2904 1790.4769 1957.7942 105.5028 1.2476 -1075.9268 0.0000 0.0000 2730.1287 6187.5139 301.5503 3457.3851 6222.2571 297.5578 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: 8967.23, 0.0039188/step Wall: 8967.23, 0.0039188/step, 0.291733 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2232000 644.5647 1803.9262 1961.7201 104.9618 1.2568 -1073.5965 0.0000 0.0000 2687.1019 6129.9349 296.7979 3442.8330 6163.1030 296.0709 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: 8968.01, 0.0039129/step Wall: 8968.01, 0.0039129/step, 0.291077 hours remaining, 115.902344 MB of memory in use. ENERGY: 2232200 646.4762 1865.1348 1968.1528 94.3152 1.6724 -1067.5230 0.0000 0.0000 2652.2664 6160.4949 292.9502 3508.2285 6195.6867 295.7516 LDB: ============= START OF LOAD BALANCING ============== 8970.72 LDB: ============== END OF LOAD BALANCING =============== 8970.72 LDB: =============== DONE WITH MIGRATION ================ 8970.72 LDB: ============= START OF LOAD BALANCING ============== 8971.11 LDB: ============== END OF LOAD BALANCING =============== 8971.11 LDB: =============== DONE WITH MIGRATION ================ 8971.11 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: 8968.8, 0.00392598/step Wall: 8968.8, 0.00392598/step, 0.291831 hours remaining, 115.902344 MB of memory in use. ENERGY: 2232400 656.4350 1781.3623 1963.0788 103.9786 1.9151 -1058.8513 0.0000 0.0000 2688.1217 6136.0402 296.9105 3447.9185 6168.8472 294.2253 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: 8969.58, 0.0039193/step Wall: 8969.58, 0.0039193/step, 0.291117 hours remaining, 115.902344 MB of memory in use. ENERGY: 2232600 639.4265 1813.9315 1999.4259 104.6889 1.2762 -1106.1200 0.0000 0.0000 2682.7413 6135.3704 296.3162 3452.6291 6169.1819 295.3957 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: 8970.37, 0.0039194/step Wall: 8970.37, 0.0039194/step, 0.290907 hours remaining, 115.902344 MB of memory in use. ENERGY: 2232800 635.1486 1822.9442 1994.1591 113.4877 2.5969 -1078.5784 0.0000 0.0000 2643.1953 6132.9532 291.9483 3489.7579 6166.9308 296.4351 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: 8971.15, 0.00391278/step Wall: 8971.15, 0.00391278/step, 0.290198 hours remaining, 115.902344 MB of memory in use. ENERGY: 2233000 643.0585 1855.6452 1954.9926 117.1950 0.5780 -1073.6636 0.0000 0.0000 2640.4281 6138.2339 291.6426 3497.8058 6168.5242 293.4367 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: 8971.93, 0.00391788/step Wall: 8971.93, 0.00391788/step, 0.290358 hours remaining, 115.902344 MB of memory in use. ENERGY: 2233200 614.7307 1828.3773 1933.6232 111.6307 1.1667 -1046.6816 0.0000 0.0000 2706.4407 6149.2876 298.9339 3442.8469 6183.1891 296.3083 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: 8972.72, 0.00391703/step Wall: 8972.72, 0.00391703/step, 0.290078 hours remaining, 115.902344 MB of memory in use. ENERGY: 2233400 603.9920 1779.2046 1982.0064 105.0201 0.7817 -1039.3232 0.0000 0.0000 2705.4095 6137.0913 298.8200 3431.6818 6174.3932 296.2333 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: 8973.5, 0.00391989/step Wall: 8973.5, 0.00391989/step, 0.290072 hours remaining, 115.902344 MB of memory in use. ENERGY: 2233600 671.0966 1807.5747 1980.1779 106.2649 0.4346 -1123.3451 0.0000 0.0000 2688.7989 6131.0024 296.9853 3442.2036 6163.0909 296.1479 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: 8974.28, 0.00391748/step Wall: 8974.28, 0.00391748/step, 0.289676 hours remaining, 115.902344 MB of memory in use. ENERGY: 2233800 646.0529 1783.3599 1959.5227 118.5532 1.5712 -1098.1054 0.0000 0.0000 2720.7478 6131.7023 300.5142 3410.9545 6163.4167 295.1903 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: 8975.07, 0.00391321/step Wall: 8975.07, 0.00391321/step, 0.289143 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2234000 641.7804 1771.7613 1960.1044 126.3974 0.1115 -1076.2186 0.0000 0.0000 2684.2600 6108.1965 296.4840 3423.9365 6140.9242 295.7514 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: 8975.85, 0.00391676/step Wall: 8975.85, 0.00391676/step, 0.289188 hours remaining, 115.902344 MB of memory in use. ENERGY: 2234200 644.9233 1866.1691 1946.3731 114.5084 0.0891 -1085.9486 0.0000 0.0000 2640.3907 6126.5050 291.6385 3486.1143 6156.2875 297.1831 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: 8976.63, 0.00391427/step Wall: 8976.63, 0.00391427/step, 0.288786 hours remaining, 115.902344 MB of memory in use. ENERGY: 2234400 625.2951 1856.6077 1958.6948 117.3626 2.2088 -1104.6000 0.0000 0.0000 2690.2374 6145.8064 297.1442 3455.5690 6179.9205 294.9771 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: 8977.42, 0.00391549/step Wall: 8977.42, 0.00391549/step, 0.288659 hours remaining, 115.902344 MB of memory in use. ENERGY: 2234600 645.8583 1835.5201 1945.6269 114.6951 1.3662 -1099.6484 0.0000 0.0000 2647.5958 6091.0140 292.4343 3443.4182 6119.1952 296.2776 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: 8978.2, 0.00391189/step Wall: 8978.2, 0.00391189/step, 0.288176 hours remaining, 115.902344 MB of memory in use. ENERGY: 2234800 638.5469 1861.1677 1967.2485 101.7157 1.1726 -1128.7616 0.0000 0.0000 2641.8186 6082.9085 291.7962 3441.0898 6115.1629 293.7248 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: 8978.98, 0.00391048/step Wall: 8978.98, 0.00391048/step, 0.287855 hours remaining, 115.902344 MB of memory in use. ENERGY: 2235000 612.1175 1811.2854 1984.4773 90.4289 2.0568 -1128.4829 0.0000 0.0000 2732.2761 6104.1590 301.7875 3371.8829 6139.3269 294.4081 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: 8979.76, 0.00391358/step Wall: 8979.76, 0.00391358/step, 0.287866 hours remaining, 115.902344 MB of memory in use. ENERGY: 2235200 657.6085 1828.5442 1984.9373 100.1359 0.4031 -1135.4223 0.0000 0.0000 2722.3260 6158.5326 300.6885 3436.2067 6190.5278 296.1419 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: 8980.55, 0.00391356/step Wall: 8980.55, 0.00391356/step, 0.287646 hours remaining, 115.902344 MB of memory in use. ENERGY: 2235400 663.1299 1856.4126 1949.0433 100.9525 0.6730 -1089.0888 0.0000 0.0000 2691.1221 6172.2448 297.2419 3481.1226 6202.9743 299.6089 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: 8981.33, 0.00391212/step Wall: 8981.33, 0.00391212/step, 0.287323 hours remaining, 115.902344 MB of memory in use. ENERGY: 2235600 656.0724 1818.8573 1954.4822 105.9873 1.1887 -1073.1185 0.0000 0.0000 2706.6944 6170.1640 298.9619 3463.4696 6203.1887 297.4066 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: 8982.11, 0.00390826/step Wall: 8982.11, 0.00390826/step, 0.286822 hours remaining, 115.902344 MB of memory in use. ENERGY: 2235800 638.2198 1801.1916 1970.8468 101.8581 0.7421 -1071.8069 0.0000 0.0000 2690.6238 6131.6753 297.1869 3441.0515 6164.9786 296.4706 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: 8982.89, 0.00391385/step Wall: 8982.89, 0.00391385/step, 0.287016 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2236000 679.2300 1832.1417 1982.0375 102.1920 2.4934 -1103.4030 0.0000 0.0000 2621.0017 6115.6933 289.4969 3494.6915 6146.7663 294.6513 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: 8983.68, 0.00391326/step Wall: 8983.68, 0.00391326/step, 0.286755 hours remaining, 115.902344 MB of memory in use. ENERGY: 2236200 619.6584 1821.1393 1970.1027 93.6705 2.1434 -1065.0864 0.0000 0.0000 2735.2922 6176.9201 302.1206 3441.6279 6211.2886 296.4847 LDB: ============= START OF LOAD BALANCING ============== 8986.38 LDB: ============== END OF LOAD BALANCING =============== 8986.38 LDB: =============== DONE WITH MIGRATION ================ 8986.38 LDB: ============= START OF LOAD BALANCING ============== 8986.77 LDB: ============== END OF LOAD BALANCING =============== 8986.77 LDB: =============== DONE WITH MIGRATION ================ 8986.77 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: 8984.46, 0.00391708/step Wall: 8984.46, 0.00391708/step, 0.286817 hours remaining, 115.902344 MB of memory in use. ENERGY: 2236400 649.5346 1819.1795 1992.2348 98.6577 0.5187 -1113.7650 0.0000 0.0000 2733.9282 6180.2884 301.9700 3446.3602 6215.3888 298.3174 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: 8985.24, 0.00391137/step Wall: 8985.24, 0.00391137/step, 0.286182 hours remaining, 115.902344 MB of memory in use. ENERGY: 2236600 633.9374 1841.6555 1986.2029 112.0213 -0.3076 -1062.4207 0.0000 0.0000 2706.4305 6217.5194 298.9328 3511.0889 6248.1354 298.8906 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: 8986.02, 0.00390693/step Wall: 8986.02, 0.00390693/step, 0.28564 hours remaining, 115.902344 MB of memory in use. ENERGY: 2236800 662.4222 1892.9215 1957.1195 116.5642 -0.4196 -1093.3367 0.0000 0.0000 2669.4864 6204.7575 294.8522 3535.2711 6234.9365 300.7779 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: 8986.81, 0.00391168/step Wall: 8986.81, 0.00391168/step, 0.28577 hours remaining, 115.902344 MB of memory in use. ENERGY: 2237000 637.9676 1758.6871 2002.5495 106.3784 0.7204 -1071.8091 0.0000 0.0000 2758.1723 6192.6662 304.6478 3434.4940 6231.7381 299.2248 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: 8987.59, 0.00391031/step Wall: 8987.59, 0.00391031/step, 0.285453 hours remaining, 115.902344 MB of memory in use. ENERGY: 2237200 634.9040 1894.6897 1958.0906 99.5745 0.2232 -1082.0115 0.0000 0.0000 2704.9323 6210.4027 298.7673 3505.4705 6242.1941 299.5641 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: 8988.37, 0.00391313/step Wall: 8988.37, 0.00391313/step, 0.285441 hours remaining, 115.902344 MB of memory in use. ENERGY: 2237400 647.6726 1830.1775 1987.3787 122.1674 0.9216 -1081.7153 0.0000 0.0000 2691.8219 6198.4243 297.3192 3506.6024 6231.1513 299.6206 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: 8989.15, 0.00390654/step Wall: 8989.15, 0.00390654/step, 0.284743 hours remaining, 115.902344 MB of memory in use. ENERGY: 2237600 655.7132 1810.0629 1974.2228 109.9851 1.5221 -1098.0448 0.0000 0.0000 2769.5633 6223.0246 305.9060 3453.4613 6256.7581 300.1655 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: 8989.93, 0.00391333/step Wall: 8989.93, 0.00391333/step, 0.285021 hours remaining, 115.902344 MB of memory in use. ENERGY: 2237800 672.2899 1833.6156 1979.7006 114.5614 0.3171 -1120.5462 0.0000 0.0000 2675.9403 6155.8787 295.5651 3479.9384 6187.2363 297.5249 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: 8990.72, 0.00391367/step Wall: 8990.72, 0.00391367/step, 0.284829 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2238000 636.4135 1867.5200 1980.7442 106.8976 0.3558 -1071.2876 0.0000 0.0000 2691.4670 6212.1105 297.2800 3520.6435 6246.9943 297.2034 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: 8991.5, 0.00391425/step Wall: 8991.5, 0.00391425/step, 0.284653 hours remaining, 115.902344 MB of memory in use. ENERGY: 2238200 662.8418 1817.1952 1954.2693 111.4131 0.0873 -1082.3137 0.0000 0.0000 2759.5460 6223.0390 304.7995 3463.4930 6258.9802 299.0149 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: 8992.28, 0.00391409/step Wall: 8992.28, 0.00391409/step, 0.284424 hours remaining, 115.902344 MB of memory in use. ENERGY: 2238400 662.5786 1833.0333 1973.2838 103.3167 0.6975 -1040.6376 0.0000 0.0000 2687.2381 6219.5104 296.8129 3532.2723 6252.1541 298.2964 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: 8993.06, 0.00390914/step Wall: 8993.06, 0.00390914/step, 0.283847 hours remaining, 115.902344 MB of memory in use. ENERGY: 2238600 678.2660 1835.0808 1999.9084 95.7921 0.9781 -1074.8657 0.0000 0.0000 2712.4164 6247.5762 299.5939 3535.1597 6282.4829 300.2904 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: 8993.85, 0.00391456/step Wall: 8993.85, 0.00391456/step, 0.284023 hours remaining, 115.902344 MB of memory in use. ENERGY: 2238800 628.4484 1841.5176 1998.3935 112.6903 -0.2778 -1096.1134 0.0000 0.0000 2740.9933 6225.6518 302.7503 3484.6585 6259.3198 300.1804 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: 8994.63, 0.00391535/step Wall: 8994.63, 0.00391535/step, 0.283863 hours remaining, 115.902344 MB of memory in use. ENERGY: 2239000 659.8454 1789.8236 1985.9328 105.6326 0.2363 -1060.5647 0.0000 0.0000 2702.9384 6183.8445 298.5471 3480.9061 6216.5044 299.0800 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: 8995.41, 0.00391471/step Wall: 8995.41, 0.00391471/step, 0.283599 hours remaining, 115.902344 MB of memory in use. ENERGY: 2239200 632.3019 1829.0822 1997.3358 103.0797 0.1296 -1057.2527 0.0000 0.0000 2678.8261 6183.5027 295.8838 3504.6766 6215.4332 297.7608 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: 8996.19, 0.00390764/step Wall: 8996.19, 0.00390764/step, 0.282869 hours remaining, 115.902344 MB of memory in use. ENERGY: 2239400 645.6477 1796.8837 1985.6479 117.3667 -0.1214 -1062.3359 0.0000 0.0000 2703.3105 6186.3991 298.5882 3483.0887 6219.5769 296.1854 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: 8996.98, 0.00391384/step Wall: 8996.98, 0.00391384/step, 0.283101 hours remaining, 115.902344 MB of memory in use. ENERGY: 2239600 638.2220 1835.7977 1983.4359 112.8632 0.5233 -1084.4465 0.0000 0.0000 2714.3404 6200.7360 299.8065 3486.3956 6232.9701 298.3871 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: 8997.76, 0.00391563/step Wall: 8997.76, 0.00391563/step, 0.283013 hours remaining, 115.902344 MB of memory in use. ENERGY: 2239800 629.7040 1812.9595 1979.3166 115.0525 0.5179 -1110.0727 0.0000 0.0000 2695.9193 6123.3971 297.7718 3427.4778 6156.0521 295.7307 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: 8998.55, 0.00393624/step Wall: 8998.55, 0.00393624/step, 0.284284 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2240000 627.2934 1806.0508 1955.2697 106.8115 -0.6552 -1038.4765 0.0000 0.0000 2670.2169 6126.5106 294.9329 3456.2937 6157.8374 295.0818 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2240000 WRITING COORDINATES TO DCD FILE MD.1.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: 8999.36, 0.00407145/step Wall: 8999.36, 0.00407145/step, 0.293823 hours remaining, 115.902344 MB of memory in use. ENERGY: 2240200 678.0166 1828.5469 1970.1473 105.0709 -0.3090 -1074.7967 0.0000 0.0000 2640.4446 6147.1207 291.6445 3506.6760 6179.0701 295.1153 LDB: ============= START OF LOAD BALANCING ============== 9002.06 LDB: ============== END OF LOAD BALANCING =============== 9002.06 LDB: =============== DONE WITH MIGRATION ================ 9002.06 LDB: ============= START OF LOAD BALANCING ============== 9002.45 LDB: ============== END OF LOAD BALANCING =============== 9002.45 LDB: =============== DONE WITH MIGRATION ================ 9002.45 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: 9000.15, 0.00391661/step Wall: 9000.15, 0.00391661/step, 0.282431 hours remaining, 115.902344 MB of memory in use. ENERGY: 2240400 630.8643 1806.0647 1950.9394 108.9905 1.1250 -1052.3594 0.0000 0.0000 2725.3812 6171.0058 301.0259 3445.6246 6205.5740 296.5774 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: 9000.93, 0.00391446/step Wall: 9000.93, 0.00391446/step, 0.282059 hours remaining, 115.902344 MB of memory in use. ENERGY: 2240600 639.7721 1841.9193 1938.8550 97.0191 1.0434 -1042.2631 0.0000 0.0000 2708.9144 6185.2602 299.2071 3476.3458 6216.9293 297.1578 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: 9001.71, 0.00393004/step Wall: 9001.71, 0.00393004/step, 0.282963 hours remaining, 115.902344 MB of memory in use. ENERGY: 2240800 639.1092 1832.6180 1972.5476 101.4219 2.7720 -1059.9017 0.0000 0.0000 2704.9183 6193.4852 298.7658 3488.5670 6225.3156 297.9319 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: 9002.5, 0.00392309/step Wall: 9002.5, 0.00392309/step, 0.282245 hours remaining, 115.902344 MB of memory in use. ENERGY: 2241000 649.9198 1892.2092 1959.0776 88.0692 0.8462 -1076.3859 0.0000 0.0000 2657.8077 6171.5438 293.5623 3513.7361 6202.5812 299.1845 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: 9003.28, 0.00392118/step Wall: 9003.28, 0.00392118/step, 0.28189 hours remaining, 115.902344 MB of memory in use. ENERGY: 2241200 622.1999 1843.5675 1946.9292 104.4040 1.8056 -1095.5209 0.0000 0.0000 2732.7432 6156.1285 301.8391 3423.3853 6191.3694 297.6885 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: 9004.06, 0.00390978/step Wall: 9004.06, 0.00390978/step, 0.280853 hours remaining, 115.902344 MB of memory in use. ENERGY: 2241400 652.4962 1874.1536 1944.1724 112.3863 1.3069 -1064.9377 0.0000 0.0000 2684.9768 6204.5544 296.5632 3519.5776 6237.3715 296.7252 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: 9004.85, 0.00391551/step Wall: 9004.85, 0.00391551/step, 0.281047 hours remaining, 115.902344 MB of memory in use. ENERGY: 2241600 680.4197 1864.4198 1952.8850 96.5248 0.5795 -1079.7249 0.0000 0.0000 2683.5361 6198.6402 296.4040 3515.1041 6227.8261 300.3868 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: 9005.63, 0.00391384/step Wall: 9005.63, 0.00391384/step, 0.28071 hours remaining, 115.902344 MB of memory in use. ENERGY: 2241800 667.7149 1907.4396 1952.0916 105.6413 0.2512 -1071.0062 0.0000 0.0000 2638.0284 6200.1609 291.3776 3562.1325 6230.9802 298.8145 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: 9006.41, 0.00391586/step Wall: 9006.41, 0.00391586/step, 0.280637 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2242000 648.6278 1901.9931 1941.1872 104.5268 2.4420 -1094.3328 0.0000 0.0000 2729.0955 6233.5397 301.4362 3504.4442 6267.0373 301.1308 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: 9007.2, 0.00391025/step Wall: 9007.2, 0.00391025/step, 0.280018 hours remaining, 115.902344 MB of memory in use. ENERGY: 2242200 644.6680 1815.9260 1980.4030 98.5433 0.7759 -1099.8398 0.0000 0.0000 2726.4377 6166.9143 301.1426 3440.4765 6202.6613 297.8851 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: 9007.98, 0.00391434/step Wall: 9007.98, 0.00391434/step, 0.280092 hours remaining, 115.902344 MB of memory in use. ENERGY: 2242400 634.4161 1814.9551 1989.8155 113.5331 1.1364 -1089.6698 0.0000 0.0000 2737.0048 6201.1912 302.3098 3464.1864 6233.1983 298.0531 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: 9008.76, 0.00391734/step Wall: 9008.76, 0.00391734/step, 0.28009 hours remaining, 115.902344 MB of memory in use. ENERGY: 2242600 620.9183 1900.2040 1990.7916 95.4585 1.0912 -1094.5650 0.0000 0.0000 2695.1881 6209.0867 297.6910 3513.8986 6246.1847 299.2989 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: 9009.55, 0.0039156/step Wall: 9009.55, 0.0039156/step, 0.279748 hours remaining, 115.902344 MB of memory in use. ENERGY: 2242800 649.5261 1863.5733 1963.3421 119.0887 0.5200 -1102.4597 0.0000 0.0000 2733.8563 6227.4468 301.9620 3493.5905 6261.0444 299.6515 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: 9010.33, 0.00392226/step Wall: 9010.33, 0.00392226/step, 0.280005 hours remaining, 115.902344 MB of memory in use. ENERGY: 2243000 649.6107 1839.3562 1956.2670 104.7331 1.5071 -1064.3949 0.0000 0.0000 2754.6387 6241.7178 304.2575 3487.0791 6275.3096 300.4095 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: 9011.11, 0.00391555/step Wall: 9011.11, 0.00391556/step, 0.27931 hours remaining, 115.902344 MB of memory in use. ENERGY: 2243200 670.8808 1869.8105 1995.8490 113.8633 1.2504 -1082.1203 0.0000 0.0000 2692.7492 6262.2831 297.4217 3569.5338 6293.1404 299.0707 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: 9011.9, 0.00392013/step Wall: 9011.9, 0.00392013/step, 0.279418 hours remaining, 115.902344 MB of memory in use. ENERGY: 2243400 644.6746 1805.4649 1972.6650 99.8538 1.1783 -1067.2697 0.0000 0.0000 2764.3988 6220.9656 305.3355 3456.5668 6257.6313 299.2336 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: 9012.68, 0.00391791/step Wall: 9012.68, 0.00391791/step, 0.279042 hours remaining, 115.902344 MB of memory in use. ENERGY: 2243600 631.8928 1816.9286 1974.7188 120.6502 1.6112 -1029.8855 0.0000 0.0000 2706.1622 6222.0783 298.9032 3515.9161 6257.3499 299.9453 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: 9013.46, 0.00391744/step Wall: 9013.46, 0.00391744/step, 0.278791 hours remaining, 115.902344 MB of memory in use. ENERGY: 2243800 683.1200 1851.5250 1966.1662 102.2909 1.6663 -1076.8387 0.0000 0.0000 2672.9665 6200.8962 295.2366 3527.9297 6229.3194 297.9012 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: 9014.25, 0.00391304/step Wall: 9014.25, 0.00391304/step, 0.278261 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2244000 653.6352 1843.7473 1946.2310 118.4585 1.2654 -1080.5033 0.0000 0.0000 2697.2476 6180.0818 297.9185 3482.8342 6212.9076 297.5418 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: 9015.03, 0.00391847/step Wall: 9015.03, 0.00391847/step, 0.278429 hours remaining, 115.902344 MB of memory in use. ENERGY: 2244200 632.6249 1836.2545 1967.3990 101.0169 -0.3520 -1042.7359 0.0000 0.0000 2715.5220 6209.7294 299.9370 3494.2074 6242.1951 299.1440 LDB: ============= START OF LOAD BALANCING ============== 9017.73 LDB: ============== END OF LOAD BALANCING =============== 9017.73 LDB: =============== DONE WITH MIGRATION ================ 9017.73 LDB: ============= START OF LOAD BALANCING ============== 9018.12 LDB: ============== END OF LOAD BALANCING =============== 9018.12 LDB: =============== DONE WITH MIGRATION ================ 9018.12 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: 9015.82, 0.00392416/step Wall: 9015.82, 0.00392416/step, 0.278615 hours remaining, 115.902344 MB of memory in use. ENERGY: 2244400 682.0704 1880.4948 1961.3763 109.0449 1.5734 -1107.6755 0.0000 0.0000 2740.1265 6267.0109 302.6546 3526.8844 6302.6396 302.0059 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: 9016.6, 0.0039188/step Wall: 9016.6, 0.00391879/step, 0.278017 hours remaining, 115.902344 MB of memory in use. ENERGY: 2244600 630.5533 1854.8936 1969.1251 106.9581 1.7052 -1079.4074 0.0000 0.0000 2764.4650 6248.2929 305.3429 3483.8279 6283.1331 303.2636 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: 9017.38, 0.003917/step Wall: 9017.38, 0.003917/step, 0.277672 hours remaining, 115.902344 MB of memory in use. ENERGY: 2244800 651.4438 1885.6324 1958.3186 117.4418 2.2947 -1072.9026 0.0000 0.0000 2726.1819 6268.4107 301.1144 3542.2288 6299.5183 302.7033 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: 9018.17, 0.00391309/step Wall: 9018.17, 0.00391309/step, 0.277177 hours remaining, 115.902344 MB of memory in use. ENERGY: 2245000 689.8680 1848.1165 1974.0529 96.7249 1.3649 -1084.0149 0.0000 0.0000 2694.0917 6220.2038 297.5699 3526.1122 6253.5452 300.6256 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: 9018.95, 0.00391894/step Wall: 9018.95, 0.00391894/step, 0.277374 hours remaining, 115.902344 MB of memory in use. ENERGY: 2245200 659.2387 1832.1943 1937.8413 90.8240 0.7616 -1091.6631 0.0000 0.0000 2720.6569 6149.8535 300.5041 3429.1967 6183.6559 297.3819 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: 9019.73, 0.00391708/step Wall: 9019.73, 0.00391708/step, 0.277025 hours remaining, 115.902344 MB of memory in use. ENERGY: 2245400 669.8526 1876.7251 1985.0346 98.5149 1.1507 -1091.2975 0.0000 0.0000 2638.1972 6178.1775 291.3962 3539.9803 6209.0857 297.9183 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: 9020.52, 0.00391512/step Wall: 9020.52, 0.00391512/step, 0.276669 hours remaining, 115.902344 MB of memory in use. ENERGY: 2245600 621.2682 1866.5878 1969.3665 110.7489 1.2798 -1089.1415 0.0000 0.0000 2675.5846 6155.6942 295.5258 3480.1096 6188.4433 297.0978 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: 9021.3, 0.00391516/step Wall: 9021.3, 0.00391516/step, 0.276454 hours remaining, 115.902344 MB of memory in use. ENERGY: 2245800 675.0381 1797.7502 1977.1285 110.8359 1.4013 -1086.8809 0.0000 0.0000 2726.0685 6201.3417 301.1019 3475.2731 6235.7848 298.9045 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: 9022.08, 0.00391248/step Wall: 9022.08, 0.00391248/step, 0.276048 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2246000 674.2201 1819.2568 1979.2028 97.9744 1.6432 -1069.9140 0.0000 0.0000 2747.5351 6249.9184 303.4729 3502.3833 6286.0712 300.6463 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: 9022.86, 0.00391694/step Wall: 9022.86, 0.00391694/step, 0.276144 hours remaining, 115.902344 MB of memory in use. ENERGY: 2246200 666.7722 1853.4801 1965.2251 109.2831 1.8688 -1082.6426 0.0000 0.0000 2731.5634 6245.5501 301.7088 3513.9867 6281.0608 302.3727 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: 9023.65, 0.00391307/step Wall: 9023.65, 0.00391307/step, 0.275654 hours remaining, 115.902344 MB of memory in use. ENERGY: 2246400 654.9862 1846.2517 1975.0183 106.4826 0.5715 -1057.2481 0.0000 0.0000 2683.2738 6209.3360 296.3751 3526.0622 6244.2418 300.5848 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: 9024.43, 0.00391601/step Wall: 9024.43, 0.00391601/step, 0.275644 hours remaining, 115.902344 MB of memory in use. ENERGY: 2246600 670.8312 1802.4740 1972.6049 103.3441 1.5280 -1053.3697 0.0000 0.0000 2703.1249 6200.5374 298.5677 3497.4125 6233.9641 297.4089 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: 9025.21, 0.00391096/step Wall: 9025.21, 0.00391096/step, 0.275071 hours remaining, 115.902344 MB of memory in use. ENERGY: 2246800 641.3165 1846.9448 1954.7313 101.6713 0.4058 -1065.9708 0.0000 0.0000 2716.9996 6196.0985 300.1002 3479.0989 6227.6263 298.5480 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: 9026, 0.00391625/step Wall: 9026, 0.00391625/step, 0.275225 hours remaining, 115.902344 MB of memory in use. ENERGY: 2247000 655.2221 1847.2159 1968.0642 103.8219 1.6495 -1094.9123 0.0000 0.0000 2669.0687 6150.1300 294.8061 3481.0613 6183.0993 297.5862 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: 9026.78, 0.00391636/step Wall: 9026.78, 0.00391636/step, 0.275016 hours remaining, 115.902344 MB of memory in use. ENERGY: 2247200 631.1984 1792.1672 1981.6844 110.2083 1.6944 -1053.2298 0.0000 0.0000 2655.8005 6119.5235 293.3406 3463.7229 6151.2522 296.1433 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: 9027.56, 0.00391642/step Wall: 9027.56, 0.00391642/step, 0.274802 hours remaining, 115.902344 MB of memory in use. ENERGY: 2247400 640.2989 1829.6238 1960.4499 103.9575 1.7384 -1071.4405 0.0000 0.0000 2733.2606 6197.8885 301.8962 3464.6280 6233.9688 296.8488 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: 9028.35, 0.00391853/step Wall: 9028.35, 0.00391853/step, 0.274733 hours remaining, 115.902344 MB of memory in use. ENERGY: 2247600 642.2303 1816.4055 1998.7598 117.9849 1.3421 -1088.1857 0.0000 0.0000 2701.0868 6189.6237 298.3426 3488.5369 6222.6940 299.9575 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: 9029.13, 0.00391266/step Wall: 9029.13, 0.00391266/step, 0.274103 hours remaining, 115.902344 MB of memory in use. ENERGY: 2247800 654.3087 1795.2656 1962.1440 105.1230 1.1405 -1081.6608 0.0000 0.0000 2766.2580 6202.5791 305.5409 3436.3211 6235.5209 298.8071 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: 9029.91, 0.00391688/step Wall: 9029.91, 0.00391688/step, 0.274182 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2248000 686.0133 1805.9694 1933.4131 108.7514 0.8583 -1086.1615 0.0000 0.0000 2737.6844 6186.5284 302.3849 3448.8440 6222.3251 299.3653 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: 9030.69, 0.00391595/step Wall: 9030.69, 0.00391595/step, 0.273899 hours remaining, 115.902344 MB of memory in use. ENERGY: 2248200 657.9063 1833.5415 1981.5582 98.8042 0.4810 -1114.2448 0.0000 0.0000 2683.5210 6141.5675 296.4024 3458.0466 6175.5328 296.8237 LDB: ============= START OF LOAD BALANCING ============== 9033.4 LDB: ============== END OF LOAD BALANCING =============== 9033.4 LDB: =============== DONE WITH MIGRATION ================ 9033.4 LDB: ============= START OF LOAD BALANCING ============== 9033.79 LDB: ============== END OF LOAD BALANCING =============== 9033.79 LDB: =============== DONE WITH MIGRATION ================ 9033.79 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: 9031.48, 0.00392215/step Wall: 9031.48, 0.00392215/step, 0.274115 hours remaining, 115.902344 MB of memory in use. ENERGY: 2248400 599.9785 1840.1333 1959.9596 107.5456 0.9255 -1062.3548 0.0000 0.0000 2741.6887 6187.8765 302.8272 3446.1877 6223.8398 297.1047 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: 9032.26, 0.00390983/step Wall: 9032.26, 0.00390983/step, 0.273037 hours remaining, 115.902344 MB of memory in use. ENERGY: 2248600 655.3241 1881.1309 1967.1064 107.9547 0.3558 -1084.9369 0.0000 0.0000 2681.2183 6208.1532 296.1480 3526.9349 6239.6026 298.2742 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: 9033.04, 0.00391404/step Wall: 9033.04, 0.00391404/step, 0.273113 hours remaining, 115.902344 MB of memory in use. ENERGY: 2248800 626.8854 1860.3543 1980.4850 116.1117 0.8121 -1092.7403 0.0000 0.0000 2676.1610 6168.0693 295.5894 3491.9083 6197.7549 298.9875 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: 9033.83, 0.00391531/step Wall: 9033.83, 0.00391531/step, 0.272984 hours remaining, 115.902344 MB of memory in use. ENERGY: 2249000 648.6095 1852.1587 1978.7679 111.2489 0.0388 -1113.3453 0.0000 0.0000 2680.3589 6157.8375 296.0531 3477.4786 6190.2084 296.1298 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: 9034.61, 0.00391472/step Wall: 9034.61, 0.00391472/step, 0.272725 hours remaining, 115.902344 MB of memory in use. ENERGY: 2249200 657.6227 1872.0027 1956.6896 118.0341 0.1973 -1064.6303 0.0000 0.0000 2708.0937 6248.0098 299.1165 3539.9161 6281.4021 299.7549 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: 9035.39, 0.00391491/step Wall: 9035.39, 0.00391491/step, 0.272521 hours remaining, 115.902344 MB of memory in use. ENERGY: 2249400 672.7837 1820.3169 1998.1320 101.9440 0.8623 -1067.8083 0.0000 0.0000 2726.9020 6253.1325 301.1939 3526.2305 6287.8204 302.2830 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: 9036.18, 0.00391122/step Wall: 9036.18, 0.00391122/step, 0.272047 hours remaining, 115.902344 MB of memory in use. ENERGY: 2249600 694.4995 1841.0995 1947.1482 105.3624 1.5960 -1071.7966 0.0000 0.0000 2702.9546 6220.8636 298.5489 3517.9089 6253.5984 298.7198 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: 9036.96, 0.00391549/step Wall: 9036.96, 0.00391549/step, 0.272127 hours remaining, 115.902344 MB of memory in use. ENERGY: 2249800 646.6806 1812.7675 1948.9368 111.5318 1.5315 -1054.4735 0.0000 0.0000 2718.8226 6185.7974 300.3015 3466.9748 6219.4440 298.4521 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: 9037.74, 0.00392953/step Wall: 9037.74, 0.00392953/step, 0.272884 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2250000 635.7637 1815.4963 1976.1205 113.2699 -0.5583 -1097.5307 0.0000 0.0000 2756.9415 6199.5030 304.5119 3442.5614 6232.6358 298.6236 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2250000 WRITING COORDINATES TO DCD FILE MD.1.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: 9038.58, 0.00419455/step Wall: 9038.58, 0.00419455/step, 0.291055 hours remaining, 115.902344 MB of memory in use. ENERGY: 2250200 671.9880 1781.7462 1999.4658 104.4152 1.5693 -1089.3135 0.0000 0.0000 2668.7292 6138.6002 294.7686 3469.8711 6171.4857 298.2502 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: 9039.37, 0.00391665/step Wall: 9039.37, 0.00391665/step, 0.271555 hours remaining, 115.902344 MB of memory in use. ENERGY: 2250400 661.8686 1837.2804 1935.2778 115.4280 2.7397 -1095.7782 0.0000 0.0000 2673.6567 6130.4730 295.3128 3456.8162 6160.4804 296.0480 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: 9040.15, 0.00390913/step Wall: 9040.15, 0.00390913/step, 0.270816 hours remaining, 115.902344 MB of memory in use. ENERGY: 2250600 669.0828 1821.2878 1944.7738 114.0174 1.1878 -1087.6276 0.0000 0.0000 2698.4337 6161.1557 298.0495 3462.7219 6192.9638 298.0847 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: 9040.93, 0.00391506/step Wall: 9040.93, 0.00391507/step, 0.27101 hours remaining, 115.902344 MB of memory in use. ENERGY: 2250800 638.6322 1802.6818 1936.1297 94.2568 1.8650 -1053.5617 0.0000 0.0000 2721.1767 6141.1806 300.5615 3420.0039 6173.4268 295.7892 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: 9041.71, 0.0039131/step Wall: 9041.71, 0.0039131/step, 0.270656 hours remaining, 115.902344 MB of memory in use. ENERGY: 2251000 630.2173 1839.4822 1960.5509 98.2247 0.6675 -1078.0537 0.0000 0.0000 2698.8525 6149.9414 298.0958 3451.0889 6183.0490 295.5070 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: 9042.5, 0.00391753/step Wall: 9042.5, 0.00391753/step, 0.270745 hours remaining, 115.902344 MB of memory in use. ENERGY: 2251200 675.2251 1798.5301 1969.5523 119.3441 -0.1527 -1120.1878 0.0000 0.0000 2699.6548 6141.9659 298.1844 3442.3111 6177.0940 295.8244 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: 9043.28, 0.00390948/step Wall: 9043.28, 0.00390948/step, 0.269971 hours remaining, 115.902344 MB of memory in use. ENERGY: 2251400 672.8380 1836.4898 1931.9323 104.6579 0.6058 -1102.7741 0.0000 0.0000 2704.0615 6147.8111 298.6711 3443.7497 6181.5978 295.9660 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: 9044.06, 0.00391544/step Wall: 9044.06, 0.00391544/step, 0.270165 hours remaining, 115.902344 MB of memory in use. ENERGY: 2251600 679.0052 1841.2658 1908.9887 115.5715 0.9916 -1095.8854 0.0000 0.0000 2740.8419 6190.7793 302.7336 3449.9374 6227.9395 296.8049 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: 9044.85, 0.00391649/step Wall: 9044.85, 0.00391649/step, 0.27002 hours remaining, 115.902344 MB of memory in use. ENERGY: 2251800 644.2694 1850.1272 1960.8729 106.4163 -0.0867 -1047.9368 0.0000 0.0000 2682.1656 6195.8277 296.2527 3513.6622 6223.6526 296.9470 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: 9045.63, 0.00391515/step Wall: 9045.63, 0.00391515/step, 0.26971 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2252000 643.7931 1831.3792 1946.6673 107.8106 1.2925 -1072.8293 0.0000 0.0000 2734.6416 6192.7549 302.0488 3458.1134 6227.3663 298.2246 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: 9046.41, 0.00391735/step Wall: 9046.41, 0.00391735/step, 0.269645 hours remaining, 115.902344 MB of memory in use. ENERGY: 2252200 686.2992 1827.9027 1951.1616 117.0711 1.6896 -1123.3879 0.0000 0.0000 2737.9361 6198.6725 302.4127 3460.7364 6229.5464 298.9083 LDB: ============= START OF LOAD BALANCING ============== 9049.11 LDB: ============== END OF LOAD BALANCING =============== 9049.11 LDB: =============== DONE WITH MIGRATION ================ 9049.11 LDB: ============= START OF LOAD BALANCING ============== 9049.5 LDB: ============== END OF LOAD BALANCING =============== 9049.5 LDB: =============== DONE WITH MIGRATION ================ 9049.5 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: 9047.2, 0.00391571/step Wall: 9047.2, 0.00391571/step, 0.269314 hours remaining, 115.902344 MB of memory in use. ENERGY: 2252400 625.0876 1824.1668 1970.2102 108.9453 2.9528 -1057.2872 0.0000 0.0000 2754.5746 6228.6500 304.2504 3474.0754 6262.6379 300.0500 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: 9047.98, 0.00391405/step Wall: 9047.98, 0.00391405/step, 0.268982 hours remaining, 115.902344 MB of memory in use. ENERGY: 2252600 665.6335 1860.5008 1963.3268 100.0747 1.0281 -1089.8913 0.0000 0.0000 2723.7285 6224.4011 300.8434 3500.6727 6254.4549 301.3594 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: 9048.76, 0.00391714/step Wall: 9048.76, 0.00391714/step, 0.268977 hours remaining, 115.902344 MB of memory in use. ENERGY: 2252800 676.7946 1842.1651 1942.4261 110.5768 1.8976 -1113.0337 0.0000 0.0000 2724.0400 6184.8665 300.8778 3460.8265 6219.8557 301.1114 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: 9049.54, 0.00391653/step Wall: 9049.54, 0.00391653/step, 0.268718 hours remaining, 115.902344 MB of memory in use. ENERGY: 2253000 673.5118 1841.1376 1979.9370 129.1189 1.1942 -1089.7069 0.0000 0.0000 2642.4318 6177.6244 291.8640 3535.1926 6211.5393 297.9789 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: 9050.33, 0.00390928/step Wall: 9050.33, 0.00390928/step, 0.268003 hours remaining, 115.902344 MB of memory in use. ENERGY: 2253200 667.8146 1907.0446 1961.4005 116.2275 0.7564 -1100.2046 0.0000 0.0000 2631.8849 6184.9238 290.6990 3553.0389 6216.8515 296.4095 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: 9051.11, 0.00391486/step Wall: 9051.11, 0.00391486/step, 0.268168 hours remaining, 115.902344 MB of memory in use. ENERGY: 2253400 620.2441 1846.7987 1964.5256 103.2516 1.2100 -1069.7587 0.0000 0.0000 2704.3375 6170.6089 298.7016 3466.2714 6202.8649 297.2721 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: 9051.89, 0.00391573/step Wall: 9051.89, 0.00391573/step, 0.26801 hours remaining, 115.902344 MB of memory in use. ENERGY: 2253600 670.3740 1888.7607 1956.5864 103.2228 1.7969 -1061.4582 0.0000 0.0000 2648.2944 6207.5770 292.5115 3559.2826 6238.9378 299.5793 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: 9052.68, 0.00391681/step Wall: 9052.68, 0.00391681/step, 0.267866 hours remaining, 115.902344 MB of memory in use. ENERGY: 2253800 639.2705 1801.7500 1950.1956 115.2825 2.4934 -1050.2081 0.0000 0.0000 2737.6994 6196.4833 302.3865 3458.7838 6230.4456 299.2943 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: 9053.46, 0.00391512/step Wall: 9053.46, 0.00391512/step, 0.267533 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2254000 699.7494 1833.1926 1946.7839 110.7735 2.4864 -1088.8259 0.0000 0.0000 2702.0668 6206.2266 298.4508 3504.1598 6239.7522 297.8050 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: 9054.24, 0.00390826/step Wall: 9054.24, 0.00390826/step, 0.266847 hours remaining, 115.902344 MB of memory in use. ENERGY: 2254200 641.2393 1846.6304 1942.4323 109.6581 0.2926 -1082.7849 0.0000 0.0000 2740.2842 6197.7519 302.6720 3457.4677 6231.7610 298.8338 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: 9055.02, 0.00391596/step Wall: 9055.02, 0.00391596/step, 0.267156 hours remaining, 115.902344 MB of memory in use. ENERGY: 2254400 662.3902 1877.6929 1944.8098 95.7107 1.7363 -1080.5948 0.0000 0.0000 2717.7072 6219.4523 300.1783 3501.7451 6252.1255 298.0708 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: 9055.81, 0.00391589/step Wall: 9055.81, 0.00391589/step, 0.266933 hours remaining, 115.902344 MB of memory in use. ENERGY: 2254600 658.4413 1854.4963 1950.4701 108.2588 1.9349 -1052.7883 0.0000 0.0000 2719.2059 6240.0190 300.3439 3520.8130 6272.6387 299.9880 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: 9056.59, 0.00391505/step Wall: 9056.59, 0.00391505/step, 0.266658 hours remaining, 115.902344 MB of memory in use. ENERGY: 2254800 670.5237 1874.9934 1943.0808 107.7728 2.1030 -1050.9170 0.0000 0.0000 2661.5277 6209.0845 293.9731 3547.5568 6241.2094 299.4444 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: 9057.37, 0.00391433/step Wall: 9057.37, 0.00391433/step, 0.266392 hours remaining, 115.902344 MB of memory in use. ENERGY: 2255000 618.4693 1800.7329 1976.4840 120.8774 -1.1897 -1035.3024 0.0000 0.0000 2732.4600 6212.5315 301.8078 3480.0715 6247.5465 299.7706 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: 9058.15, 0.00390735/step Wall: 9058.15, 0.00390735/step, 0.2657 hours remaining, 115.902344 MB of memory in use. ENERGY: 2255200 674.9764 1869.3447 1966.9631 127.2357 0.6874 -1049.3150 0.0000 0.0000 2662.0693 6251.9615 294.0330 3589.8922 6284.3671 299.4227 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: 9058.94, 0.00391537/step Wall: 9058.94, 0.00391537/step, 0.266028 hours remaining, 115.902344 MB of memory in use. ENERGY: 2255400 632.2194 1885.0367 1946.6116 109.5724 1.7433 -1077.2065 0.0000 0.0000 2727.8157 6225.7926 301.2948 3497.9769 6257.4420 300.9447 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: 9059.72, 0.00391435/step Wall: 9059.72, 0.00391435/step, 0.265741 hours remaining, 115.902344 MB of memory in use. ENERGY: 2255600 626.2291 1859.1978 1937.4790 103.7130 0.9402 -1081.0200 0.0000 0.0000 2711.7371 6158.2761 299.5189 3446.5391 6188.7285 298.5116 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: 9060.5, 0.00391458/step Wall: 9060.5, 0.00391458/step, 0.265539 hours remaining, 115.902344 MB of memory in use. ENERGY: 2255800 644.4230 1788.9861 1982.8073 109.9153 1.3575 -1083.8375 0.0000 0.0000 2682.3770 6126.0288 296.2760 3443.6518 6159.5962 294.8768 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: 9061.28, 0.00390569/step Wall: 9061.28, 0.00390569/step, 0.264719 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2256000 655.7316 1879.7424 1967.4927 114.4237 1.0795 -1076.8727 0.0000 0.0000 2677.6961 6219.2932 295.7590 3541.5971 6252.6919 298.9660 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: 9062.07, 0.00391209/step Wall: 9062.07, 0.00391209/step, 0.264935 hours remaining, 115.902344 MB of memory in use. ENERGY: 2256200 664.9133 1840.5583 1965.8620 113.5881 1.0403 -1061.6147 0.0000 0.0000 2695.8928 6220.2399 297.7689 3524.3472 6252.7503 300.0724 LDB: ============= START OF LOAD BALANCING ============== 9064.77 LDB: ============== END OF LOAD BALANCING =============== 9064.77 LDB: =============== DONE WITH MIGRATION ================ 9064.77 LDB: ============= START OF LOAD BALANCING ============== 9065.16 LDB: ============== END OF LOAD BALANCING =============== 9065.16 LDB: =============== DONE WITH MIGRATION ================ 9065.16 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: 9062.85, 0.00391765/step Wall: 9062.85, 0.00391765/step, 0.265095 hours remaining, 115.902344 MB of memory in use. ENERGY: 2256400 646.8586 1824.9795 1986.1860 122.4586 2.3662 -1058.2359 0.0000 0.0000 2764.1047 6288.7177 305.3031 3524.6130 6323.3518 301.2095 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: 9063.63, 0.00391347/step Wall: 9063.63, 0.00391347/step, 0.264594 hours remaining, 115.902344 MB of memory in use. ENERGY: 2256600 642.4886 1894.7681 1976.4338 106.7878 1.3775 -1090.7865 0.0000 0.0000 2780.6909 6311.7602 307.1351 3531.0693 6345.1707 305.3231 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: 9064.42, 0.003915/step Wall: 9064.42, 0.003915/step, 0.26448 hours remaining, 115.902344 MB of memory in use. ENERGY: 2256800 671.8455 1848.1223 1974.7321 109.7411 1.5103 -1086.8057 0.0000 0.0000 2763.1597 6282.3054 305.1987 3519.1457 6314.7217 307.1805 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: 9065.2, 0.00390751/step Wall: 9065.2, 0.00390751/step, 0.263757 hours remaining, 115.902344 MB of memory in use. ENERGY: 2257000 636.4893 1866.8093 1966.8576 90.6239 1.5683 -1073.3939 0.0000 0.0000 2745.7749 6234.7295 303.2785 3488.9545 6269.4169 301.2449 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: 9065.98, 0.00391627/step Wall: 9065.98, 0.00391627/step, 0.264131 hours remaining, 115.902344 MB of memory in use. ENERGY: 2257200 634.7685 1824.3984 1983.9442 112.1140 1.8787 -1075.9605 0.0000 0.0000 2747.9062 6229.0496 303.5139 3481.1433 6263.5004 300.8007 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: 9066.76, 0.00391691/step Wall: 9066.76, 0.00391691/step, 0.263956 hours remaining, 115.902344 MB of memory in use. ENERGY: 2257400 616.6766 1884.7727 1932.5258 111.9411 0.3839 -1060.4473 0.0000 0.0000 2754.2766 6240.1294 304.2175 3485.8528 6272.8942 301.5297 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: 9067.55, 0.00391539/step Wall: 9067.55, 0.00391539/step, 0.263636 hours remaining, 115.902344 MB of memory in use. ENERGY: 2257600 668.6935 1817.7567 1983.2027 103.1049 0.9491 -1082.9480 0.0000 0.0000 2764.2137 6254.9726 305.3151 3490.7589 6294.4452 302.2787 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: 9068.33, 0.00391075/step Wall: 9068.33, 0.00391075/step, 0.263107 hours remaining, 115.902344 MB of memory in use. ENERGY: 2257800 679.1803 1899.6365 1990.5101 107.6576 1.3520 -1104.8231 0.0000 0.0000 2722.0651 6295.5786 300.6597 3573.5134 6328.6115 304.4275 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: 9069.11, 0.00391539/step Wall: 9069.11, 0.00391539/step, 0.263201 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2258000 670.1835 1839.2561 1982.8492 108.9977 2.9386 -1096.2106 0.0000 0.0000 2761.6700 6269.6846 305.0341 3508.0146 6305.9691 303.5789 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: 9069.9, 0.00391697/step Wall: 9069.9, 0.00391697/step, 0.26309 hours remaining, 115.902344 MB of memory in use. ENERGY: 2258200 638.8440 1840.9778 2018.2001 116.3797 2.1263 -1088.5639 0.0000 0.0000 2694.3384 6222.3024 297.5972 3527.9640 6252.6996 301.6444 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: 9070.68, 0.00392328/step Wall: 9070.68, 0.00392328/step, 0.263295 hours remaining, 115.902344 MB of memory in use. ENERGY: 2258400 660.7171 1865.5254 1979.2181 114.4463 0.5536 -1104.0204 0.0000 0.0000 2749.4747 6265.9147 303.6871 3516.4400 6298.1890 299.6643 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: 9071.46, 0.00391947/step Wall: 9071.46, 0.00391947/step, 0.262822 hours remaining, 115.902344 MB of memory in use. ENERGY: 2258600 651.2142 1882.0412 1976.2994 107.8826 2.3129 -1071.4846 0.0000 0.0000 2744.2953 6292.5609 303.1151 3548.2657 6325.2990 302.0070 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: 9072.25, 0.00391037/step Wall: 9072.25, 0.00391037/step, 0.261995 hours remaining, 115.902344 MB of memory in use. ENERGY: 2258800 675.4311 1843.5555 1992.4867 108.9448 1.7681 -1063.0189 0.0000 0.0000 2717.1116 6276.2789 300.1125 3559.1673 6310.2999 301.9585 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: 9073.03, 0.00391647/step Wall: 9073.03, 0.00391647/step, 0.262186 hours remaining, 115.902344 MB of memory in use. ENERGY: 2259000 646.7366 1857.0138 1981.9714 105.0692 0.5430 -1066.1219 0.0000 0.0000 2764.8381 6290.0503 305.3841 3525.2122 6320.2980 302.6322 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: 9073.81, 0.00391748/step Wall: 9073.81, 0.00391748/step, 0.262036 hours remaining, 115.902344 MB of memory in use. ENERGY: 2259200 627.4260 1814.0286 1964.9551 112.8779 1.4166 -1027.1859 0.0000 0.0000 2783.6178 6277.1361 307.4583 3493.5183 6312.0189 301.4501 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: 9074.6, 0.00391866/step Wall: 9074.6, 0.00391866/step, 0.261897 hours remaining, 115.902344 MB of memory in use. ENERGY: 2259400 639.5992 1859.5341 1948.5259 108.4258 1.2552 -1062.6110 0.0000 0.0000 2740.9774 6235.7065 302.7486 3494.7291 6272.1135 301.2976 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: 9075.38, 0.00391461/step Wall: 9075.38, 0.00391461/step, 0.261409 hours remaining, 115.902344 MB of memory in use. ENERGY: 2259600 669.9220 1861.9827 1965.4605 108.4464 1.1926 -1072.0891 0.0000 0.0000 2697.9286 6232.8437 297.9937 3534.9151 6268.7933 301.1877 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: 9076.16, 0.00391078/step Wall: 9076.16, 0.00391078/step, 0.260936 hours remaining, 115.902344 MB of memory in use. ENERGY: 2259800 672.6681 1817.8009 1947.5971 111.2072 1.1390 -1075.5406 0.0000 0.0000 2708.2404 6183.1120 299.1327 3474.8716 6217.1554 299.5731 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: 9076.95, 0.00391865/step Wall: 9076.95, 0.00391865/step, 0.261243 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2260000 642.1206 1872.7923 1973.6127 104.3890 0.0287 -1109.9964 0.0000 0.0000 2709.7840 6192.7308 299.3032 3482.9469 6226.9526 298.6760 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2260000 WRITING COORDINATES TO DCD FILE MD.1.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: 9077.76, 0.00408496/step Wall: 9077.76, 0.00408496/step, 0.272104 hours remaining, 115.902344 MB of memory in use. ENERGY: 2260200 620.9188 1876.3005 1950.2990 105.7791 0.3626 -1078.8229 0.0000 0.0000 2755.9302 6230.7672 304.4002 3474.8370 6265.1204 300.2396 LDB: ============= START OF LOAD BALANCING ============== 9080.46 LDB: ============== END OF LOAD BALANCING =============== 9080.46 LDB: =============== DONE WITH MIGRATION ================ 9080.46 LDB: ============= START OF LOAD BALANCING ============== 9080.86 LDB: ============== END OF LOAD BALANCING =============== 9080.86 LDB: =============== DONE WITH MIGRATION ================ 9080.86 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: 9078.55, 0.00391771/step Wall: 9078.55, 0.00391771/step, 0.260745 hours remaining, 115.902344 MB of memory in use. ENERGY: 2260400 672.8058 1834.0613 1963.3131 103.9716 0.6879 -1097.9978 0.0000 0.0000 2747.3570 6224.1990 303.4532 3476.8420 6258.4530 298.0868 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: 9079.33, 0.003907/step Wall: 9079.33, 0.003907/step, 0.259815 hours remaining, 115.902344 MB of memory in use. ENERGY: 2260600 658.4050 1853.9663 1962.9708 103.3665 0.9530 -1055.1856 0.0000 0.0000 2668.6362 6193.1122 294.7583 3524.4760 6224.5723 298.7353 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: 9080.11, 0.00391538/step Wall: 9080.11, 0.00391538/step, 0.260155 hours remaining, 115.902344 MB of memory in use. ENERGY: 2260800 637.6630 1832.9584 1964.4749 101.4648 0.9990 -1048.1917 0.0000 0.0000 2674.6118 6163.9802 295.4183 3489.3684 6194.9379 297.3332 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: 9080.89, 0.00391552/step Wall: 9080.89, 0.00391552/step, 0.259947 hours remaining, 115.902344 MB of memory in use. ENERGY: 2261000 653.5900 1834.9698 1978.4317 107.6397 0.5699 -1073.5000 0.0000 0.0000 2665.8357 6167.5367 294.4490 3501.7011 6200.3148 295.6312 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: 9081.68, 0.00391268/step Wall: 9081.68, 0.00391268/step, 0.259541 hours remaining, 115.902344 MB of memory in use. ENERGY: 2261200 696.2788 1805.2928 1997.3804 117.3498 0.0785 -1086.6299 0.0000 0.0000 2662.0408 6191.7912 294.0298 3529.7504 6223.6749 298.6309 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: 9082.46, 0.00391461/step Wall: 9082.46, 0.00391461/step, 0.259452 hours remaining, 115.902344 MB of memory in use. ENERGY: 2261400 649.6163 1823.0127 2007.5568 102.3923 1.4027 -1085.5921 0.0000 0.0000 2688.9501 6187.3388 297.0020 3498.3887 6218.8971 297.1795 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: 9083.24, 0.00390746/step Wall: 9083.24, 0.00390746/step, 0.258761 hours remaining, 115.902344 MB of memory in use. ENERGY: 2261600 647.8609 1832.6545 1970.8769 103.9465 1.1122 -1081.0947 0.0000 0.0000 2741.6531 6217.0093 302.8232 3475.3562 6249.7355 298.2272 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: 9084.02, 0.00391255/step Wall: 9084.02, 0.00391255/step, 0.25888 hours remaining, 115.902344 MB of memory in use. ENERGY: 2261800 639.8400 1856.5661 1992.0224 129.0219 1.7658 -1090.7820 0.0000 0.0000 2687.6651 6216.0993 296.8601 3528.4342 6249.0155 300.2693 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: 9084.81, 0.00391719/step Wall: 9084.81, 0.00391719/step, 0.258969 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2262000 643.9034 1824.6674 1943.8738 105.1395 2.0705 -1059.6183 0.0000 0.0000 2753.8191 6213.8554 304.1670 3460.0363 6248.1199 299.3097 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: 9085.59, 0.00391677/step Wall: 9085.59, 0.00391677/step, 0.258725 hours remaining, 115.902344 MB of memory in use. ENERGY: 2262200 709.6846 1857.1349 1952.6998 103.5088 1.9837 -1087.2729 0.0000 0.0000 2699.5510 6237.2899 298.1729 3537.7388 6270.6018 298.8726 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: 9086.37, 0.00390965/step Wall: 9086.37, 0.00390965/step, 0.258037 hours remaining, 115.902344 MB of memory in use. ENERGY: 2262400 666.4147 1857.0904 1960.5907 115.7911 2.6767 -1085.4281 0.0000 0.0000 2718.9604 6236.0959 300.3167 3517.1355 6269.0057 301.4218 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: 9087.15, 0.00391235/step Wall: 9087.15, 0.00391235/step, 0.257998 hours remaining, 115.902344 MB of memory in use. ENERGY: 2262600 644.8915 1846.5722 1959.7511 107.8533 1.6976 -1087.0799 0.0000 0.0000 2741.3145 6215.0004 302.7858 3473.6858 6246.1654 299.6768 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: 9087.94, 0.00391225/step Wall: 9087.94, 0.00391225/step, 0.257773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2262800 648.9418 1839.9744 1956.0506 105.5349 1.5788 -1065.1853 0.0000 0.0000 2686.7364 6173.6316 296.7575 3486.8952 6205.2278 297.4128 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: 9088.72, 0.00391662/step Wall: 9088.72, 0.00391662/step, 0.257844 hours remaining, 115.902344 MB of memory in use. ENERGY: 2263000 652.8320 1885.6381 1961.9987 109.3604 0.5072 -1086.5293 0.0000 0.0000 2653.2543 6177.0614 293.0593 3523.8071 6209.5198 295.5725 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: 9089.5, 0.00391448/step Wall: 9089.5, 0.00391448/step, 0.257486 hours remaining, 115.902344 MB of memory in use. ENERGY: 2263200 649.0814 1871.0019 1951.8467 107.6765 0.8785 -1037.8954 0.0000 0.0000 2687.9929 6230.5824 296.8963 3542.5895 6262.6538 298.3216 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: 9090.28, 0.00390473/step Wall: 9090.28, 0.00390473/step, 0.256628 hours remaining, 115.902344 MB of memory in use. ENERGY: 2263400 644.6687 1856.1506 1991.8302 104.2211 0.5762 -1053.4354 0.0000 0.0000 2742.3314 6286.3427 302.8981 3544.0113 6320.2222 301.6787 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: 9091.07, 0.00391019/step Wall: 9091.07, 0.00391019/step, 0.256769 hours remaining, 115.902344 MB of memory in use. ENERGY: 2263600 665.3577 1821.5832 1986.5395 110.9750 1.6962 -1056.6082 0.0000 0.0000 2726.8575 6256.4009 301.1890 3529.5434 6288.4860 303.5587 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: 9091.85, 0.00391157/step Wall: 9091.85, 0.00391157/step, 0.256642 hours remaining, 115.902344 MB of memory in use. ENERGY: 2263800 619.8997 1847.9698 1997.3994 98.2763 1.5153 -1061.5260 0.0000 0.0000 2732.7735 6236.3080 301.8424 3503.5346 6270.1180 299.9076 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: 9092.63, 0.00391401/step Wall: 9092.63, 0.00391401/step, 0.256585 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2264000 634.2574 1845.1840 1996.6622 105.0083 0.2659 -1038.8500 0.0000 0.0000 2662.8921 6205.4200 294.1239 3542.5278 6236.9005 299.3791 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: 9093.41, 0.00390823/step Wall: 9093.41, 0.00390823/step, 0.255989 hours remaining, 115.902344 MB of memory in use. ENERGY: 2264200 674.4744 1852.6464 1979.0804 116.6031 1.8220 -1089.6662 0.0000 0.0000 2687.7846 6222.7446 296.8733 3534.9601 6255.7212 298.7197 LDB: ============= START OF LOAD BALANCING ============== 9096.11 LDB: ============== END OF LOAD BALANCING =============== 9096.11 LDB: =============== DONE WITH MIGRATION ================ 9096.11 LDB: ============= START OF LOAD BALANCING ============== 9096.51 LDB: ============== END OF LOAD BALANCING =============== 9096.51 LDB: =============== DONE WITH MIGRATION ================ 9096.51 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: 9094.2, 0.00391802/step Wall: 9094.2, 0.00391803/step, 0.256413 hours remaining, 115.902344 MB of memory in use. ENERGY: 2264400 651.6658 1881.7508 1969.3971 95.8131 0.8524 -1055.3372 0.0000 0.0000 2699.5121 6243.6541 298.1686 3544.1420 6276.3648 298.9801 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: 9094.98, 0.00391408/step Wall: 9094.98, 0.00391408/step, 0.255937 hours remaining, 115.902344 MB of memory in use. ENERGY: 2264600 646.8004 1876.7661 1990.8644 100.7158 2.3098 -1056.1698 0.0000 0.0000 2726.4316 6287.7183 301.1420 3561.2867 6320.2685 301.8573 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: 9095.76, 0.0039124/step Wall: 9095.76, 0.0039124/step, 0.25561 hours remaining, 115.902344 MB of memory in use. ENERGY: 2264800 667.3904 1862.1299 1969.6906 99.2978 0.6173 -1055.5050 0.0000 0.0000 2732.6408 6276.2616 301.8278 3543.6208 6306.5223 302.5138 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: 9096.55, 0.00391495/step Wall: 9096.55, 0.00391495/step, 0.255559 hours remaining, 115.902344 MB of memory in use. ENERGY: 2265000 666.9048 1867.0249 1956.6997 115.0827 1.5821 -1078.3083 0.0000 0.0000 2754.7041 6283.6899 304.2647 3528.9858 6316.8265 303.7473 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: 9097.33, 0.00390916/step Wall: 9097.33, 0.00390916/step, 0.254964 hours remaining, 115.902344 MB of memory in use. ENERGY: 2265200 672.1484 1898.2652 1934.0080 110.7228 0.7445 -1067.0351 0.0000 0.0000 2770.0310 6318.8848 305.9576 3548.8538 6351.4662 303.4866 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: 9098.11, 0.00391476/step Wall: 9098.11, 0.00391476/step, 0.255112 hours remaining, 115.902344 MB of memory in use. ENERGY: 2265400 624.3240 1862.6694 1951.0520 113.8979 1.8884 -1054.6378 0.0000 0.0000 2746.7126 6245.9066 303.3821 3499.1940 6280.6660 303.2933 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: 9098.89, 0.00391651/step Wall: 9098.89, 0.00391651/step, 0.255008 hours remaining, 115.902344 MB of memory in use. ENERGY: 2265600 652.7408 1885.6330 1945.0629 111.5954 1.2510 -1100.9247 0.0000 0.0000 2711.6694 6207.0277 299.5114 3495.3583 6241.1778 302.1319 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: 9099.68, 0.00391644/step Wall: 9099.68, 0.00391644/step, 0.254786 hours remaining, 115.902344 MB of memory in use. ENERGY: 2265800 688.5297 1832.2406 1958.6905 105.8430 1.7284 -1080.3410 0.0000 0.0000 2650.0918 6156.7831 292.7100 3506.6913 6186.0685 297.6466 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: 9100.46, 0.00391672/step Wall: 9100.46, 0.00391672/step, 0.254587 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2266000 658.4781 1865.4264 1943.2605 117.7771 1.4963 -1106.2953 0.0000 0.0000 2676.3626 6156.5056 295.6117 3480.1430 6189.2338 296.2348 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: 9101.24, 0.00390836/step Wall: 9101.24, 0.00390836/step, 0.253826 hours remaining, 115.902344 MB of memory in use. ENERGY: 2266200 640.3295 1892.7449 1946.9396 105.2734 1.4279 -1087.6576 0.0000 0.0000 2748.9453 6248.0030 303.6287 3499.0577 6281.2823 299.6055 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: 9102.02, 0.00391551/step Wall: 9102.02, 0.00391551/step, 0.254073 hours remaining, 115.902344 MB of memory in use. ENERGY: 2266400 644.9128 1892.0034 1986.8164 117.1358 0.1175 -1088.9763 0.0000 0.0000 2702.1439 6254.1535 298.4593 3552.0096 6287.0275 303.5577 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: 9102.81, 0.00391625/step Wall: 9102.81, 0.00391625/step, 0.253904 hours remaining, 115.902344 MB of memory in use. ENERGY: 2266600 646.5843 1882.3853 1967.3052 108.7258 0.2422 -1119.3855 0.0000 0.0000 2756.7823 6242.6395 304.4943 3485.8572 6276.5241 302.6183 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: 9103.59, 0.00391531/step Wall: 9103.59, 0.00391531/step, 0.253625 hours remaining, 115.902344 MB of memory in use. ENERGY: 2266800 654.4522 1861.1912 1953.7095 101.5683 0.9296 -1094.1420 0.0000 0.0000 2751.5384 6229.2471 303.9151 3477.7087 6264.7910 302.1856 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: 9104.37, 0.0039093/step Wall: 9104.37, 0.0039093/step, 0.253018 hours remaining, 115.902344 MB of memory in use. ENERGY: 2267000 622.2226 1857.0424 1929.6785 110.2238 1.3865 -1060.5337 0.0000 0.0000 2758.8567 6218.8769 304.7234 3460.0202 6255.8551 302.2759 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: 9105.16, 0.00391473/step Wall: 9105.16, 0.00391473/step, 0.253152 hours remaining, 115.902344 MB of memory in use. ENERGY: 2267200 660.5980 1883.0211 1942.4770 101.9735 0.5303 -1076.8239 0.0000 0.0000 2739.9412 6251.7172 302.6341 3511.7760 6282.2054 301.7864 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: 9105.94, 0.0039135/step Wall: 9105.94, 0.0039135/step, 0.252855 hours remaining, 115.902344 MB of memory in use. ENERGY: 2267400 649.1281 1815.2951 1960.7575 107.9952 1.8758 -1098.0708 0.0000 0.0000 2771.5605 6208.5414 306.1266 3436.9809 6242.8812 300.3089 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: 9106.72, 0.00391378/step Wall: 9106.72, 0.00391378/step, 0.252656 hours remaining, 115.902344 MB of memory in use. ENERGY: 2267600 687.5490 1817.5777 1957.0278 110.7865 1.7830 -1074.4411 0.0000 0.0000 2730.8761 6231.1591 301.6329 3500.2830 6266.3718 300.8974 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: 9107.5, 0.00391388/step Wall: 9107.5, 0.00391388/step, 0.252445 hours remaining, 115.902344 MB of memory in use. ENERGY: 2267800 650.7210 1843.6526 1979.0053 108.7787 1.1142 -1061.2666 0.0000 0.0000 2748.8917 6270.8968 303.6227 3522.0052 6305.4930 303.3313 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: 9108.29, 0.00390799/step Wall: 9108.29, 0.00390799/step, 0.251848 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2268000 650.9313 1843.8960 1927.6902 97.6436 1.8300 -1080.9141 0.0000 0.0000 2770.6825 6211.7594 306.0296 3441.0770 6246.5292 301.8780 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: 9109.07, 0.00391271/step Wall: 9109.07, 0.00391271/step, 0.251935 hours remaining, 115.902344 MB of memory in use. ENERGY: 2268200 664.2656 1868.8936 1954.4060 106.7671 0.3036 -1030.8559 0.0000 0.0000 2643.0255 6206.8054 291.9295 3563.7799 6240.8272 300.0438 LDB: ============= START OF LOAD BALANCING ============== 9111.77 LDB: ============== END OF LOAD BALANCING =============== 9111.77 LDB: =============== DONE WITH MIGRATION ================ 9111.77 LDB: ============= START OF LOAD BALANCING ============== 9112.16 LDB: ============== END OF LOAD BALANCING =============== 9112.16 LDB: =============== DONE WITH MIGRATION ================ 9112.16 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: 9109.85, 0.00391739/step Wall: 9109.85, 0.00391738/step, 0.252018 hours remaining, 115.902344 MB of memory in use. ENERGY: 2268400 652.0333 1821.9321 1935.7162 105.9375 1.4856 -1048.1445 0.0000 0.0000 2781.3365 6250.2967 307.2064 3468.9602 6287.4941 300.5827 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: 9110.63, 0.0039137/step Wall: 9110.63, 0.00391371/step, 0.251564 hours remaining, 115.902344 MB of memory in use. ENERGY: 2268600 652.8669 1860.7650 1946.9983 110.6298 1.0903 -1071.0513 0.0000 0.0000 2698.4368 6199.7358 298.0499 3501.2990 6236.6252 300.7436 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: 9111.42, 0.00390776/step Wall: 9111.42, 0.00390776/step, 0.250965 hours remaining, 115.902344 MB of memory in use. ENERGY: 2268800 631.4931 1857.7268 1951.3804 100.8661 -0.3540 -1061.4638 0.0000 0.0000 2721.5338 6201.1826 300.6010 3479.6487 6232.7026 299.4638 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: 9112.2, 0.00391391/step Wall: 9112.2, 0.00391391/step, 0.251143 hours remaining, 115.902344 MB of memory in use. ENERGY: 2269000 698.9680 1870.1387 1954.4525 97.5456 0.9687 -1101.1979 0.0000 0.0000 2662.0258 6182.9014 294.0282 3520.8756 6215.0450 299.0683 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: 9112.98, 0.00391493/step Wall: 9112.98, 0.00391493/step, 0.25099 hours remaining, 115.902344 MB of memory in use. ENERGY: 2269200 660.4599 1845.3659 1964.3336 97.9258 0.8981 -1065.2403 0.0000 0.0000 2685.2610 6189.0040 296.5946 3503.7430 6219.3562 298.7910 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: 9113.77, 0.00391702/step Wall: 9113.77, 0.00391702/step, 0.250907 hours remaining, 115.902344 MB of memory in use. ENERGY: 2269400 677.0778 1829.8004 1971.3575 106.1489 1.6946 -1059.7088 0.0000 0.0000 2689.2966 6215.6669 297.0403 3526.3704 6249.2645 299.6587 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: 9114.55, 0.00391524/step Wall: 9114.55, 0.00391524/step, 0.250575 hours remaining, 115.902344 MB of memory in use. ENERGY: 2269600 685.6319 1818.5879 1972.5050 102.2799 2.5234 -1095.3450 0.0000 0.0000 2718.0686 6204.2517 300.2182 3486.1831 6238.3309 299.3731 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: 9115.33, 0.00391108/step Wall: 9115.33, 0.00391107/step, 0.250091 hours remaining, 115.902344 MB of memory in use. ENERGY: 2269800 652.7247 1845.7224 1953.2089 106.4218 0.6676 -1058.6408 0.0000 0.0000 2751.6062 6251.7107 303.9226 3500.1045 6286.8866 300.8753 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: 9116.11, 0.00391336/step Wall: 9116.11, 0.00391337/step, 0.250021 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2270000 639.0951 1853.7901 1926.7805 116.8893 0.5286 -1073.6397 0.0000 0.0000 2811.0025 6274.4464 310.4831 3463.4439 6307.5610 301.7837 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2270000 WRITING COORDINATES TO DCD FILE MD.1.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: 9116.93, 0.00408679/step Wall: 9116.93, 0.00408679/step, 0.260873 hours remaining, 115.902344 MB of memory in use. ENERGY: 2270200 662.1673 1834.1222 1946.6708 108.6348 2.0877 -1044.4901 0.0000 0.0000 2695.5831 6204.7758 297.7347 3509.1927 6239.0385 302.6168 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: 9117.72, 0.00392664/step Wall: 9117.72, 0.00392664/step, 0.250433 hours remaining, 115.902344 MB of memory in use. ENERGY: 2270400 654.0951 1861.2133 1968.9538 92.9510 1.5504 -1077.7275 0.0000 0.0000 2726.1074 6227.1436 301.1062 3501.0362 6260.1532 300.0802 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: 9118.5, 0.00391378/step Wall: 9118.5, 0.00391378/step, 0.249394 hours remaining, 115.902344 MB of memory in use. ENERGY: 2270600 636.1955 1808.9792 1976.5234 105.0831 0.9500 -1052.8287 0.0000 0.0000 2742.0877 6216.9903 302.8712 3474.9026 6251.0587 301.4657 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: 9119.28, 0.00391007/step Wall: 9119.28, 0.00391007/step, 0.248941 hours remaining, 115.902344 MB of memory in use. ENERGY: 2270800 694.1608 1853.7442 1967.0376 110.1186 0.8447 -1126.7541 0.0000 0.0000 2715.9370 6215.0891 299.9828 3499.1520 6246.8218 298.3760 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: 9120.06, 0.00391325/step Wall: 9120.06, 0.00391325/step, 0.248926 hours remaining, 115.902344 MB of memory in use. ENERGY: 2271000 661.8785 1853.1556 1973.7127 118.2791 1.6718 -1091.9534 0.0000 0.0000 2646.7411 6163.4853 292.3399 3516.7442 6197.5415 299.0187 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: 9120.85, 0.00391395/step Wall: 9120.85, 0.00391395/step, 0.248753 hours remaining, 115.902344 MB of memory in use. ENERGY: 2271200 649.6105 1810.6300 1966.1470 109.4674 2.4793 -1061.4707 0.0000 0.0000 2679.5931 6156.4566 295.9685 3476.8635 6189.6021 297.1690 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: 9121.63, 0.00391298/step Wall: 9121.63, 0.00391298/step, 0.248474 hours remaining, 115.902344 MB of memory in use. ENERGY: 2271400 656.8207 1868.6740 1951.5044 114.9522 2.4531 -1122.7662 0.0000 0.0000 2676.1482 6147.7864 295.5880 3471.6382 6181.7927 295.9954 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: 9122.41, 0.00390719/step Wall: 9122.41, 0.00390719/step, 0.247889 hours remaining, 115.902344 MB of memory in use. ENERGY: 2271600 649.7261 1800.7950 1974.2827 109.6025 0.9812 -1082.4304 0.0000 0.0000 2672.2124 6125.1694 295.1533 3452.9571 6157.8250 295.4579 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: 9123.19, 0.00391278/step Wall: 9123.19, 0.00391278/step, 0.248027 hours remaining, 115.902344 MB of memory in use. ENERGY: 2271800 638.2242 1860.3695 1942.7313 115.4144 0.7598 -1109.9387 0.0000 0.0000 2677.8337 6125.3942 295.7742 3447.5605 6158.8106 295.7982 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: 9123.98, 0.00391522/step Wall: 9123.98, 0.00391522/step, 0.247964 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2272000 650.0712 1801.8734 1962.1964 99.8344 0.4635 -1095.2403 0.0000 0.0000 2714.3493 6133.5479 299.8074 3419.1986 6166.5415 296.0701 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: 9124.76, 0.00391495/step Wall: 9124.76, 0.00391495/step, 0.247729 hours remaining, 115.902344 MB of memory in use. ENERGY: 2272200 650.5684 1880.0919 1944.7387 103.6996 1.0798 -1107.2895 0.0000 0.0000 2672.2419 6145.1308 295.1566 3472.8889 6175.9345 296.8825 LDB: ============= START OF LOAD BALANCING ============== 9127.46 LDB: ============== END OF LOAD BALANCING =============== 9127.46 LDB: =============== DONE WITH MIGRATION ================ 9127.46 LDB: ============= START OF LOAD BALANCING ============== 9127.85 LDB: ============== END OF LOAD BALANCING =============== 9127.85 LDB: =============== DONE WITH MIGRATION ================ 9127.85 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: 9125.54, 0.00391871/step Wall: 9125.54, 0.00391871/step, 0.24775 hours remaining, 115.902344 MB of memory in use. ENERGY: 2272400 643.2925 1864.5731 1940.1866 107.3728 1.5576 -1062.8175 0.0000 0.0000 2679.9500 6174.1150 296.0079 3494.1650 6205.4878 297.6448 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: 9126.32, 0.00390623/step Wall: 9126.32, 0.00390623/step, 0.246744 hours remaining, 115.902344 MB of memory in use. ENERGY: 2272600 654.1714 1829.3501 1969.9836 109.4671 1.2982 -1061.6578 0.0000 0.0000 2730.7541 6233.3667 301.6194 3502.6126 6266.1665 300.3845 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: 9127.11, 0.00391297/step Wall: 9127.11, 0.00391297/step, 0.246952 hours remaining, 115.902344 MB of memory in use. ENERGY: 2272800 684.1518 1889.7885 1942.9556 93.5392 0.6984 -1073.4201 0.0000 0.0000 2693.0744 6230.7878 297.4576 3537.7135 6260.6257 301.4479 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: 9127.89, 0.0039149/step Wall: 9127.89, 0.0039149/step, 0.246856 hours remaining, 115.902344 MB of memory in use. ENERGY: 2273000 645.4763 1878.3586 1955.8362 113.1055 0.1662 -1099.3882 0.0000 0.0000 2740.5007 6234.0552 302.6959 3493.5545 6268.1935 300.2806 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: 9128.67, 0.00391511/step Wall: 9128.67, 0.00391511/step, 0.246652 hours remaining, 115.902344 MB of memory in use. ENERGY: 2273200 626.0297 1832.7927 1934.1951 116.5441 1.9623 -1069.5595 0.0000 0.0000 2702.9418 6144.9062 298.5475 3441.9644 6175.7387 299.9261 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: 9129.45, 0.00390516/step Wall: 9129.45, 0.00390516/step, 0.245808 hours remaining, 115.902344 MB of memory in use. ENERGY: 2273400 679.6035 1894.4344 1954.6475 113.7372 0.5971 -1072.7995 0.0000 0.0000 2650.9696 6221.1899 292.8070 3570.2203 6251.4918 299.5833 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: 9130.24, 0.00391508/step Wall: 9130.24, 0.00391508/step, 0.246215 hours remaining, 115.902344 MB of memory in use. ENERGY: 2273600 644.4505 1905.5085 1959.4328 117.2669 1.6096 -1102.5245 0.0000 0.0000 2693.6050 6219.3488 297.5162 3525.7438 6250.4839 298.7326 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: 9131.02, 0.00392807/step Wall: 9131.02, 0.00392807/step, 0.246814 hours remaining, 115.902344 MB of memory in use. ENERGY: 2273800 678.2920 1836.9681 1964.6864 103.4896 0.2166 -1083.0336 0.0000 0.0000 2733.4772 6234.0963 301.9202 3500.6191 6268.9576 302.1160 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: 9131.81, 0.0039167/step Wall: 9131.81, 0.0039167/step, 0.245882 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2274000 642.2792 1859.0934 1954.0248 122.8112 0.9238 -1078.1247 0.0000 0.0000 2699.7391 6200.7467 298.1937 3501.0076 6233.7799 300.8849 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: 9132.59, 0.00391463/step Wall: 9132.59, 0.00391463/step, 0.245534 hours remaining, 115.902344 MB of memory in use. ENERGY: 2274200 681.7990 1837.7151 1932.1883 111.1295 3.6335 -1092.4495 0.0000 0.0000 2711.9900 6186.0058 299.5468 3474.0158 6216.0026 298.3695 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: 9133.37, 0.00390746/step Wall: 9133.37, 0.00390746/step, 0.244867 hours remaining, 115.902344 MB of memory in use. ENERGY: 2274400 651.8589 1857.7832 1903.2299 96.7930 1.8268 -1068.4737 0.0000 0.0000 2732.5778 6175.5960 301.8208 3443.0182 6208.4961 298.8617 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: 9134.15, 0.0039137/step Wall: 9134.15, 0.0039137/step, 0.245041 hours remaining, 115.902344 MB of memory in use. ENERGY: 2274600 663.3266 1813.4380 1929.3568 112.2442 1.1892 -1059.0236 0.0000 0.0000 2701.0226 6161.5538 298.3355 3460.5312 6195.7925 296.7382 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: 9134.94, 0.00391519/step Wall: 9134.94, 0.00391519/step, 0.244917 hours remaining, 115.902344 MB of memory in use. ENERGY: 2274800 663.7913 1826.7057 1947.2896 94.7877 2.5567 -1039.3001 0.0000 0.0000 2674.7876 6170.6185 295.4377 3495.8309 6204.8058 297.8030 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: 9135.72, 0.00391479/step Wall: 9135.72, 0.00391479/step, 0.244675 hours remaining, 115.902344 MB of memory in use. ENERGY: 2275000 632.8792 1841.5660 1933.4325 109.3031 2.3415 -1106.9757 0.0000 0.0000 2771.2522 6183.7988 306.0925 3412.5466 6221.9348 297.9335 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: 9136.5, 0.00390696/step Wall: 9136.5, 0.00390696/step, 0.243968 hours remaining, 115.902344 MB of memory in use. ENERGY: 2275200 623.8961 1881.3392 1917.7456 98.8045 1.8565 -1049.5301 0.0000 0.0000 2705.6675 6179.7794 298.8485 3474.1118 6213.9999 297.7297 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: 9137.28, 0.00391207/step Wall: 9137.28, 0.00391207/step, 0.24407 hours remaining, 115.902344 MB of memory in use. ENERGY: 2275400 680.7555 1850.6639 1948.7424 101.9308 2.1458 -1061.9262 0.0000 0.0000 2714.5748 6236.8870 299.8324 3522.3121 6269.6745 300.4712 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: 9138.07, 0.00391529/step Wall: 9138.07, 0.00391529/step, 0.244053 hours remaining, 115.902344 MB of memory in use. ENERGY: 2275600 686.8169 1846.6013 1934.8889 118.4739 2.0074 -1028.6823 0.0000 0.0000 2673.0513 6233.1574 295.2460 3560.1061 6263.8639 301.9005 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: 9138.85, 0.003914/step Wall: 9138.85, 0.003914/step, 0.243755 hours remaining, 115.902344 MB of memory in use. ENERGY: 2275800 657.6511 1891.6241 1937.0544 108.7414 1.3656 -1040.4924 0.0000 0.0000 2690.8903 6246.8345 297.2163 3555.9441 6280.3733 301.6080 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: 9139.63, 0.00391558/step Wall: 9139.63, 0.00391558/step, 0.243636 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2276000 664.6105 1811.3932 1951.4637 112.2215 2.8990 -1063.5435 0.0000 0.0000 2802.2400 6281.2844 309.5152 3479.0443 6319.6609 302.1121 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: 9140.41, 0.00390877/step Wall: 9140.41, 0.00390877/step, 0.242995 hours remaining, 115.902344 MB of memory in use. ENERGY: 2276200 681.6070 1825.6629 1950.5690 113.9930 1.5777 -1046.6212 0.0000 0.0000 2732.2274 6259.0159 301.7821 3526.7885 6289.9453 302.2607 LDB: ============= START OF LOAD BALANCING ============== 9143.11 LDB: ============== END OF LOAD BALANCING =============== 9143.11 LDB: =============== DONE WITH MIGRATION ================ 9143.11 LDB: ============= START OF LOAD BALANCING ============== 9143.51 LDB: ============== END OF LOAD BALANCING =============== 9143.51 LDB: =============== DONE WITH MIGRATION ================ 9143.51 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: 9141.2, 0.00391868/step Wall: 9141.2, 0.00391868/step, 0.243394 hours remaining, 115.902344 MB of memory in use. ENERGY: 2276400 626.6242 1832.1630 1958.0457 126.6687 0.8271 -1086.5218 0.0000 0.0000 2768.1279 6225.9349 305.7474 3457.8069 6262.8774 301.3503 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: 9141.98, 0.00391333/step Wall: 9141.98, 0.00391333/step, 0.242844 hours remaining, 115.902344 MB of memory in use. ENERGY: 2276600 693.7767 1829.4475 1969.1267 111.0677 1.0271 -1086.5414 0.0000 0.0000 2721.2826 6239.1868 300.5732 3517.9042 6273.1844 300.8849 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: 9142.76, 0.00391248/step Wall: 9142.76, 0.00391248/step, 0.242574 hours remaining, 115.902344 MB of memory in use. ENERGY: 2276800 686.5000 1878.6598 1965.5457 105.6819 2.2611 -1102.4464 0.0000 0.0000 2685.8415 6222.0437 296.6587 3536.2021 6256.1282 301.6228 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: 9143.54, 0.00391362/step Wall: 9143.54, 0.00391362/step, 0.242427 hours remaining, 115.902344 MB of memory in use. ENERGY: 2277000 652.9736 1837.2274 1979.4551 121.1850 0.8074 -1097.1984 0.0000 0.0000 2678.7901 6173.2401 295.8798 3494.4500 6205.9032 300.5463 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: 9144.33, 0.00390548/step Wall: 9144.33, 0.00390548/step, 0.241706 hours remaining, 115.902344 MB of memory in use. ENERGY: 2277200 636.6679 1852.1227 1936.6359 100.0619 0.9787 -1109.2007 0.0000 0.0000 2739.1477 6156.4141 302.5465 3417.2664 6191.3746 297.1147 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: 9145.11, 0.0039143/step Wall: 9145.11, 0.0039143/step, 0.242034 hours remaining, 115.902344 MB of memory in use. ENERGY: 2277400 655.3785 1920.4403 1956.1457 126.4754 1.0198 -1094.4749 0.0000 0.0000 2660.3508 6225.3355 293.8432 3564.9847 6255.2146 300.1715 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: 9145.89, 0.00391234/step Wall: 9145.89, 0.00391234/step, 0.241696 hours remaining, 115.902344 MB of memory in use. ENERGY: 2277600 625.9562 1917.2807 1940.7176 112.6684 0.8239 -1051.0771 0.0000 0.0000 2679.0981 6225.4678 295.9138 3546.3698 6253.2100 300.5726 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: 9146.67, 0.00391609/step Wall: 9146.67, 0.00391609/step, 0.24171 hours remaining, 115.902344 MB of memory in use. ENERGY: 2277800 639.3702 1839.7970 1946.6729 103.5491 2.2626 -1047.6331 0.0000 0.0000 2742.5890 6226.6078 302.9266 3484.0188 6261.3819 301.3355 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: 9147.46, 0.00390923/step Wall: 9147.46, 0.00390923/step, 0.241069 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2278000 689.1717 1809.6746 1945.5975 112.5769 1.9922 -1053.2065 0.0000 0.0000 2693.9157 6199.7220 297.5505 3505.8064 6231.7612 300.1653 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: 9148.24, 0.00391531/step Wall: 9148.24, 0.00391531/step, 0.241227 hours remaining, 115.902344 MB of memory in use. ENERGY: 2278200 671.7049 1857.9423 1946.2316 114.5489 1.2848 -1076.0183 0.0000 0.0000 2690.3436 6206.0377 297.1559 3515.6941 6235.1495 298.6743 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: 9149.02, 0.00391662/step Wall: 9149.02, 0.00391662/step, 0.24109 hours remaining, 115.902344 MB of memory in use. ENERGY: 2278400 673.8722 1852.0747 1968.7461 117.2886 0.5875 -1079.4734 0.0000 0.0000 2710.2450 6243.3405 299.3541 3533.0955 6276.8047 301.7244 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: 9149.81, 0.00391465/step Wall: 9149.81, 0.00391465/step, 0.240751 hours remaining, 115.902344 MB of memory in use. ENERGY: 2278600 658.8754 1908.0597 1924.5399 108.3537 2.3877 -1081.9446 0.0000 0.0000 2691.8548 6212.1266 297.3229 3520.2718 6244.0111 301.2417 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: 9150.59, 0.00391433/step Wall: 9150.59, 0.00391433/step, 0.240514 hours remaining, 115.902344 MB of memory in use. ENERGY: 2278800 664.7804 1892.2210 1941.1426 97.8612 2.3299 -1095.8230 0.0000 0.0000 2757.9963 6260.5085 304.6284 3502.5122 6295.9668 301.0483 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: 9151.37, 0.00390707/step Wall: 9151.37, 0.00390707/step, 0.23985 hours remaining, 115.902344 MB of memory in use. ENERGY: 2279000 683.7208 1897.3795 1985.6667 114.3155 1.5120 -1059.6222 0.0000 0.0000 2682.3710 6305.3433 296.2753 3622.9723 6331.8225 304.1119 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: 9152.15, 0.00391382/step Wall: 9152.15, 0.00391382/step, 0.240047 hours remaining, 115.902344 MB of memory in use. ENERGY: 2279200 682.5513 1908.9937 1974.2399 107.4059 2.1253 -1087.2963 0.0000 0.0000 2772.2633 6360.2831 306.2042 3588.0198 6393.5917 306.2656 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: 9152.94, 0.00391508/step Wall: 9152.94, 0.00391508/step, 0.239907 hours remaining, 115.902344 MB of memory in use. ENERGY: 2279400 684.2847 1931.0461 1951.6647 102.4547 1.0811 -1096.2954 0.0000 0.0000 2795.3046 6369.5405 308.7492 3574.2360 6402.2477 307.5616 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: 9153.72, 0.0039165/step Wall: 9153.72, 0.0039165/step, 0.239777 hours remaining, 115.902344 MB of memory in use. ENERGY: 2279600 698.9702 1862.2299 1970.5700 110.3385 1.0720 -1093.5653 0.0000 0.0000 2795.3666 6344.9818 308.7560 3549.6152 6378.5684 307.3007 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: 9154.5, 0.00390798/step Wall: 9154.5, 0.00390798/step, 0.239038 hours remaining, 115.902344 MB of memory in use. ENERGY: 2279800 622.4395 1860.8417 1964.8896 123.9678 2.4189 -1083.4135 0.0000 0.0000 2770.4938 6261.6378 306.0088 3491.1440 6297.7931 305.5079 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: 9155.28, 0.00391388/step Wall: 9155.28, 0.00391388/step, 0.239181 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2280000 648.7121 1867.4583 1954.8829 106.4104 1.6130 -1070.2971 0.0000 0.0000 2729.7600 6238.5395 301.5096 3508.7795 6271.0467 303.4401 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2280000 WRITING COORDINATES TO DCD FILE MD.1.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: 9156.17, 0.00443854/step Wall: 9156.17, 0.00443854/step, 0.270998 hours remaining, 115.902344 MB of memory in use. ENERGY: 2280200 657.1105 1890.0783 1975.5325 107.7630 0.7337 -1072.5027 0.0000 0.0000 2712.9964 6271.7117 299.6580 3558.7153 6304.2365 302.6453 LDB: ============= START OF LOAD BALANCING ============== 9158.87 LDB: ============== END OF LOAD BALANCING =============== 9158.87 LDB: =============== DONE WITH MIGRATION ================ 9158.87 LDB: ============= START OF LOAD BALANCING ============== 9159.26 LDB: ============== END OF LOAD BALANCING =============== 9159.26 LDB: =============== DONE WITH MIGRATION ================ 9159.26 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: 9156.95, 0.00392143/step Wall: 9156.95, 0.00392143/step, 0.239208 hours remaining, 115.902344 MB of memory in use. ENERGY: 2280400 668.4100 1860.6215 1937.9585 117.0788 0.9680 -1089.0177 0.0000 0.0000 2758.3521 6254.3712 304.6677 3496.0191 6287.5590 303.8400 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: 9157.74, 0.00392301/step Wall: 9157.74, 0.00392301/step, 0.239086 hours remaining, 115.902344 MB of memory in use. ENERGY: 2280600 666.3404 1877.6300 1948.7621 109.7210 2.0752 -1077.5947 0.0000 0.0000 2748.7345 6275.6685 303.6054 3526.9340 6307.8695 303.9074 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: 9158.52, 0.00390962/step Wall: 9158.52, 0.00390962/step, 0.238052 hours remaining, 115.902344 MB of memory in use. ENERGY: 2280800 678.8940 1836.6312 1968.4892 98.8752 1.7229 -1100.6919 0.0000 0.0000 2795.1728 6279.0934 308.7346 3483.9205 6313.5846 303.2272 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: 9159.3, 0.00391569/step Wall: 9159.3, 0.00391569/step, 0.238205 hours remaining, 115.902344 MB of memory in use. ENERGY: 2281000 667.7038 1860.9313 1942.9553 110.8936 1.7023 -1063.1742 0.0000 0.0000 2725.1633 6246.1755 301.0019 3521.0122 6279.9462 301.5720 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: 9160.09, 0.00391601/step Wall: 9160.09, 0.00391601/step, 0.238006 hours remaining, 115.902344 MB of memory in use. ENERGY: 2281200 624.6786 1891.0331 1947.1381 115.5246 1.3495 -1062.0482 0.0000 0.0000 2756.5143 6274.1900 304.4647 3517.6757 6309.2797 303.4710 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: 9160.87, 0.00391681/step Wall: 9160.87, 0.00391681/step, 0.237837 hours remaining, 115.902344 MB of memory in use. ENERGY: 2281400 655.8066 1864.6357 1988.0143 113.4548 1.4409 -1100.2856 0.0000 0.0000 2742.2497 6265.3163 302.8891 3523.0666 6299.0421 303.4848 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: 9161.65, 0.00391529/step Wall: 9161.65, 0.00391529/step, 0.237528 hours remaining, 115.902344 MB of memory in use. ENERGY: 2281600 662.4777 1837.4771 1984.1794 108.7683 -0.1334 -1079.1372 0.0000 0.0000 2736.8476 6250.4796 302.2924 3513.6320 6284.6522 303.7622 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: 9162.44, 0.00391043/step Wall: 9162.44, 0.00391043/step, 0.237016 hours remaining, 115.902344 MB of memory in use. ENERGY: 2281800 672.8540 1876.6190 1944.4473 119.9897 1.1127 -1072.6846 0.0000 0.0000 2695.5035 6237.8417 297.7259 3542.3381 6271.6635 300.6507 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: 9163.22, 0.00391541/step Wall: 9163.22, 0.00391541/step, 0.2371 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2282000 667.0691 1852.6168 1959.1870 109.7977 0.9501 -1049.4988 0.0000 0.0000 2641.3985 6181.5204 291.7498 3540.1219 6213.7317 297.8771 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: 9164, 0.00391537/step Wall: 9164, 0.00391537/step, 0.23688 hours remaining, 115.902344 MB of memory in use. ENERGY: 2282200 679.9470 1854.9603 1949.4831 105.4459 1.1947 -1061.0657 0.0000 0.0000 2679.9667 6209.9319 296.0098 3529.9652 6240.0672 296.3761 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: 9164.79, 0.00391654/step Wall: 9164.79, 0.00391654/step, 0.236733 hours remaining, 115.902344 MB of memory in use. ENERGY: 2282400 637.7424 1841.4920 1976.1829 112.8306 1.7373 -1080.1007 0.0000 0.0000 2694.8268 6184.7113 297.6511 3489.8846 6216.6122 299.1037 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: 9165.57, 0.00391434/step Wall: 9165.57, 0.00391434/step, 0.236382 hours remaining, 115.902344 MB of memory in use. ENERGY: 2282600 663.4593 1878.9259 1959.4724 117.3577 1.7189 -1094.2906 0.0000 0.0000 2652.7133 6179.3569 292.9996 3526.6436 6210.7061 299.1290 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: 9166.35, 0.0039127/step Wall: 9166.35, 0.0039127/step, 0.236066 hours remaining, 115.902344 MB of memory in use. ENERGY: 2282800 639.8750 1835.1448 1953.4313 110.3282 0.7068 -1088.2380 0.0000 0.0000 2721.3200 6172.5681 300.5774 3451.2481 6206.9172 296.9651 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: 9167.13, 0.003916/step Wall: 9167.13, 0.003916/step, 0.236047 hours remaining, 115.902344 MB of memory in use. ENERGY: 2283000 658.4178 1852.4346 1975.8235 116.3126 1.0739 -1114.2463 0.0000 0.0000 2688.1645 6177.9806 296.9153 3489.8161 6208.7351 299.2525 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: 9167.92, 0.00391593/step Wall: 9167.92, 0.00391593/step, 0.235826 hours remaining, 115.902344 MB of memory in use. ENERGY: 2283200 677.9780 1848.3056 1995.0345 108.8868 0.8131 -1078.1078 0.0000 0.0000 2689.7404 6242.6506 297.0893 3552.9102 6273.7686 301.9369 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: 9168.7, 0.0039162/step Wall: 9168.7, 0.0039162/step, 0.235624 hours remaining, 115.902344 MB of memory in use. ENERGY: 2283400 639.5730 1851.0675 1966.3793 106.7729 1.4628 -1105.8567 0.0000 0.0000 2783.1586 6242.5574 307.4076 3459.3988 6278.1972 301.2522 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: 9169.48, 0.0039102/step Wall: 9169.48, 0.0039102/step, 0.235046 hours remaining, 115.902344 MB of memory in use. ENERGY: 2283600 642.7949 1861.5432 1964.2565 107.3393 1.8779 -1066.0572 0.0000 0.0000 2715.1173 6226.8719 299.8923 3511.7546 6261.6517 299.9604 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: 9170.27, 0.0039159/step Wall: 9170.27, 0.0039159/step, 0.235171 hours remaining, 115.902344 MB of memory in use. ENERGY: 2283800 656.1858 1856.8009 1949.5291 102.7502 2.0757 -1085.3948 0.0000 0.0000 2779.9667 6261.9136 307.0551 3481.9469 6297.6060 301.3290 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: 9171.05, 0.00391698/step Wall: 9171.05, 0.00391698/step, 0.235019 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2284000 638.5243 1860.4760 1957.4099 108.7140 0.8814 -1083.2805 0.0000 0.0000 2713.1102 6195.8353 299.6706 3482.7251 6231.3466 302.3673 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: 9171.83, 0.00391662/step Wall: 9171.83, 0.00391662/step, 0.23478 hours remaining, 115.902344 MB of memory in use. ENERGY: 2284200 691.6515 1811.5227 1917.3275 101.8440 1.4254 -1080.3986 0.0000 0.0000 2724.1390 6167.5116 300.8887 3443.3726 6203.0688 298.2114 LDB: ============= START OF LOAD BALANCING ============== 9174.53 LDB: ============== END OF LOAD BALANCING =============== 9174.53 LDB: =============== DONE WITH MIGRATION ================ 9174.53 LDB: ============= START OF LOAD BALANCING ============== 9174.93 LDB: ============== END OF LOAD BALANCING =============== 9174.93 LDB: =============== DONE WITH MIGRATION ================ 9174.93 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: 9172.62, 0.00392116/step Wall: 9172.62, 0.00392116/step, 0.234834 hours remaining, 115.902344 MB of memory in use. ENERGY: 2284400 651.9014 1858.3930 1942.6305 92.7843 1.0625 -1069.2598 0.0000 0.0000 2688.8399 6166.3518 296.9899 3477.5119 6200.2939 297.4103 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: 9173.4, 0.00391001/step Wall: 9173.4, 0.00391001/step, 0.233949 hours remaining, 115.902344 MB of memory in use. ENERGY: 2284600 629.4128 1822.7246 1932.5219 123.3330 1.2027 -1045.4997 0.0000 0.0000 2696.0812 6159.7766 297.7897 3463.6954 6191.8955 297.1293 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: 9174.18, 0.00391557/step Wall: 9174.18, 0.00391557/step, 0.234064 hours remaining, 115.902344 MB of memory in use. ENERGY: 2284800 628.9405 1833.9288 1915.5997 96.7463 2.0636 -1070.3246 0.0000 0.0000 2707.6146 6114.5689 299.0636 3406.9543 6152.8215 294.8116 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: 9174.97, 0.0039165/step Wall: 9174.97, 0.0039165/step, 0.233902 hours remaining, 115.902344 MB of memory in use. ENERGY: 2285000 653.4442 1799.5043 1953.1444 89.6093 1.8947 -1104.1146 0.0000 0.0000 2706.9708 6100.4532 298.9925 3393.4823 6135.7646 294.8009 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: 9175.75, 0.00391585/step Wall: 9175.75, 0.00391585/step, 0.233645 hours remaining, 115.902344 MB of memory in use. ENERGY: 2285200 639.5963 1866.4481 1936.2045 98.5447 1.8606 -1068.7737 0.0000 0.0000 2657.9138 6131.7944 293.5740 3473.8806 6164.7741 294.7242 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: 9176.53, 0.00390918/step Wall: 9176.53, 0.00390918/step, 0.233031 hours remaining, 115.902344 MB of memory in use. ENERGY: 2285400 623.9743 1892.6968 1946.1992 110.5679 1.6065 -1057.0479 0.0000 0.0000 2681.4853 6199.4823 296.1775 3517.9969 6231.5279 296.4921 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: 9177.31, 0.00391499/step Wall: 9177.31, 0.00391499/step, 0.233159 hours remaining, 115.902344 MB of memory in use. ENERGY: 2285600 629.0433 1921.6979 1934.9876 104.8691 1.4937 -1084.2834 0.0000 0.0000 2689.7538 6197.5620 297.0908 3507.8082 6226.4858 297.6643 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: 9178.1, 0.00391701/step Wall: 9178.1, 0.00391701/step, 0.233062 hours remaining, 115.902344 MB of memory in use. ENERGY: 2285800 659.2165 1838.8747 1943.8713 115.2064 1.2145 -1066.8247 0.0000 0.0000 2725.3790 6216.9376 301.0257 3491.5586 6251.6540 298.0581 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: 9178.88, 0.00391708/step Wall: 9178.88, 0.00391708/step, 0.232849 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2286000 671.6563 1855.1137 2004.6393 116.4719 -0.2168 -1095.0054 0.0000 0.0000 2678.4044 6231.0635 295.8372 3552.6591 6261.7073 299.9192 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: 9179.66, 0.00391476/step Wall: 9179.66, 0.00391476/step, 0.232493 hours remaining, 115.902344 MB of memory in use. ENERGY: 2286200 670.0238 1840.5992 1960.5860 111.8651 -1.0222 -1039.6451 0.0000 0.0000 2766.7245 6309.1313 305.5924 3542.4067 6343.2245 302.9376 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: 9180.45, 0.00390996/step Wall: 9180.45, 0.00390996/step, 0.231991 hours remaining, 115.902344 MB of memory in use. ENERGY: 2286400 679.5109 1898.4132 1977.0645 105.0012 0.8103 -1084.2115 0.0000 0.0000 2760.8533 6337.4419 304.9439 3576.5886 6371.4807 304.0167 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: 9181.23, 0.00391621/step Wall: 9181.23, 0.00391621/step, 0.232144 hours remaining, 115.902344 MB of memory in use. ENERGY: 2286600 650.6531 1907.7743 1942.4153 105.6684 0.2230 -1087.8964 0.0000 0.0000 2743.7302 6262.5678 303.0526 3518.8376 6296.4937 304.5630 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: 9182.01, 0.00391686/step Wall: 9182.01, 0.00391686/step, 0.231965 hours remaining, 115.902344 MB of memory in use. ENERGY: 2286800 679.6434 1825.4113 1980.1095 103.0641 0.2810 -1082.3108 0.0000 0.0000 2707.0945 6213.2930 299.0061 3506.1986 6248.8310 300.5982 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: 9182.8, 0.00391778/step Wall: 9182.8, 0.00391778/step, 0.231802 hours remaining, 115.902344 MB of memory in use. ENERGY: 2287000 702.6296 1877.3491 1950.3832 111.1313 1.1922 -1106.7996 0.0000 0.0000 2691.7076 6227.5935 297.3066 3535.8858 6260.6498 300.5159 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: 9183.58, 0.00391042/step Wall: 9183.58, 0.00391043/step, 0.23115 hours remaining, 115.902344 MB of memory in use. ENERGY: 2287200 638.2346 1794.5672 1971.8272 111.4583 0.9485 -1065.8407 0.0000 0.0000 2686.3879 6137.5830 296.7190 3451.1951 6171.0017 297.7520 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: 9184.36, 0.0039169/step Wall: 9184.36, 0.0039169/step, 0.231314 hours remaining, 115.902344 MB of memory in use. ENERGY: 2287400 632.3654 1811.5077 1965.6559 110.8910 0.7888 -1078.7848 0.0000 0.0000 2644.1060 6086.5300 292.0489 3442.4240 6120.2487 294.4564 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: 9185.14, 0.00391593/step Wall: 9185.14, 0.00391593/step, 0.23104 hours remaining, 115.902344 MB of memory in use. ENERGY: 2287600 660.5304 1809.0444 1975.1497 101.6524 1.4045 -1125.5321 0.0000 0.0000 2667.9240 6090.1735 294.6796 3422.2495 6122.2369 293.6325 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: 9185.93, 0.00391707/step Wall: 9185.93, 0.00391707/step, 0.230889 hours remaining, 115.902344 MB of memory in use. ENERGY: 2287800 625.2323 1821.3042 1963.2713 112.8172 2.3296 -1101.9386 0.0000 0.0000 2667.9565 6090.9724 294.6832 3423.0159 6128.1101 293.5271 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: 9186.71, 0.00391721/step Wall: 9186.71, 0.00391721/step, 0.23068 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2288000 640.7144 1815.6057 1940.5235 101.1956 2.2173 -1068.9120 0.0000 0.0000 2710.0915 6141.4361 299.3372 3431.3446 6173.7853 294.9209 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: 9187.49, 0.00390911/step Wall: 9187.49, 0.00390911/step, 0.229986 hours remaining, 115.902344 MB of memory in use. ENERGY: 2288200 624.8007 1874.6430 1943.1133 108.8154 2.0811 -1056.1951 0.0000 0.0000 2700.6056 6197.8639 298.2894 3497.2583 6231.2342 297.3662 LDB: ============= START OF LOAD BALANCING ============== 9190.19 LDB: ============== END OF LOAD BALANCING =============== 9190.19 LDB: =============== DONE WITH MIGRATION ================ 9190.19 LDB: ============= START OF LOAD BALANCING ============== 9190.59 LDB: ============== END OF LOAD BALANCING =============== 9190.59 LDB: =============== DONE WITH MIGRATION ================ 9190.59 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: 9188.28, 0.00392112/step Wall: 9188.28, 0.00392112/step, 0.230475 hours remaining, 115.902344 MB of memory in use. ENERGY: 2288400 651.6398 1854.1777 1950.9295 90.7837 1.3398 -1083.6167 0.0000 0.0000 2732.1599 6197.4136 301.7747 3465.2537 6229.1093 298.7580 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: 9189.06, 0.00391644/step Wall: 9189.06, 0.00391644/step, 0.229982 hours remaining, 115.902344 MB of memory in use. ENERGY: 2288600 673.9100 1814.7217 1973.5971 109.3590 1.3884 -1083.3257 0.0000 0.0000 2713.6120 6203.2626 299.7260 3489.6506 6234.9948 298.6809 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: 9189.84, 0.0039158/step Wall: 9189.84, 0.0039158/step, 0.229727 hours remaining, 115.902344 MB of memory in use. ENERGY: 2288800 643.0615 1843.1839 1986.6652 116.3663 -0.1407 -1081.9524 0.0000 0.0000 2645.1124 6152.2962 292.1600 3507.1838 6183.5032 296.4741 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: 9190.63, 0.00392751/step Wall: 9190.63, 0.00392751/step, 0.230196 hours remaining, 115.902344 MB of memory in use. ENERGY: 2289000 636.3732 1793.3335 1978.5751 105.9509 0.3254 -1067.0660 0.0000 0.0000 2741.6386 6189.1307 302.8216 3447.4921 6222.8951 296.7881 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: 9191.41, 0.00391243/step Wall: 9191.41, 0.00391243/step, 0.229095 hours remaining, 115.902344 MB of memory in use. ENERGY: 2289200 610.7512 1793.4147 1979.7659 128.4373 0.4927 -1063.0048 0.0000 0.0000 2737.5658 6187.4228 302.3718 3449.8570 6221.9721 298.1496 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: 9192.2, 0.00391832/step Wall: 9192.2, 0.00391832/step, 0.229222 hours remaining, 115.902344 MB of memory in use. ENERGY: 2289400 645.8979 1819.4923 1991.9176 101.1464 1.5391 -1097.0581 0.0000 0.0000 2685.4899 6148.4251 296.6198 3462.9352 6181.4714 297.3680 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: 9192.98, 0.0039174/step Wall: 9192.98, 0.0039174/step, 0.22895 hours remaining, 115.902344 MB of memory in use. ENERGY: 2289600 655.7801 1832.8482 1970.5160 105.8535 0.6140 -1086.7105 0.0000 0.0000 2704.9863 6183.8876 298.7733 3478.9013 6214.8838 298.1100 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: 9193.76, 0.00391683/step Wall: 9193.76, 0.00391683/step, 0.228699 hours remaining, 115.902344 MB of memory in use. ENERGY: 2289800 689.0938 1831.1222 1949.1545 107.6941 1.3685 -1059.0701 0.0000 0.0000 2687.5868 6206.9498 296.8514 3519.3630 6238.8101 296.9871 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: 9194.54, 0.00391032/step Wall: 9194.54, 0.00391032/step, 0.228102 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2290000 639.7549 1827.5099 1970.5710 109.9075 1.2298 -1082.9214 0.0000 0.0000 2754.7544 6220.8062 304.2703 3466.0518 6255.7965 300.3556 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2290000 WRITING COORDINATES TO DCD FILE MD.1.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: 9195.36, 0.00409209/step Wall: 9195.36, 0.00409209/step, 0.238478 hours remaining, 115.902344 MB of memory in use. ENERGY: 2290200 642.2700 1858.7817 1975.1708 115.5010 1.4907 -1092.6433 0.0000 0.0000 2665.0849 6165.6558 294.3661 3500.5709 6200.3485 299.7086 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: 9196.15, 0.00391494/step Wall: 9196.15, 0.00391494/step, 0.227937 hours remaining, 115.902344 MB of memory in use. ENERGY: 2290400 653.0680 1875.7333 1961.7085 91.7348 0.8039 -1130.7746 0.0000 0.0000 2734.6178 6186.8918 302.0462 3452.2739 6222.0214 297.6524 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: 9196.93, 0.00391697/step Wall: 9196.93, 0.00391697/step, 0.227837 hours remaining, 115.902344 MB of memory in use. ENERGY: 2290600 624.5136 1835.9310 1970.3927 119.1480 1.1461 -1085.1445 0.0000 0.0000 2660.7071 6126.6940 293.8825 3465.9869 6158.8332 295.9076 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: 9197.71, 0.00392416/step Wall: 9197.71, 0.00392416/step, 0.228037 hours remaining, 115.902344 MB of memory in use. ENERGY: 2290800 678.7599 1844.0727 1963.9886 105.3736 2.0056 -1118.3897 0.0000 0.0000 2691.3850 6167.1956 297.2710 3475.8107 6199.7428 296.2495 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: 9198.5, 0.00391047/step Wall: 9198.5, 0.00391047/step, 0.227025 hours remaining, 115.902344 MB of memory in use. ENERGY: 2291000 627.5283 1827.4237 1942.1381 121.2321 1.9286 -1110.4044 0.0000 0.0000 2732.9607 6142.8072 301.8631 3409.8464 6177.8756 295.4809 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: 9199.28, 0.00391382/step Wall: 9199.28, 0.00391382/step, 0.227002 hours remaining, 115.902344 MB of memory in use. ENERGY: 2291200 650.9697 1821.9618 1962.1022 115.1081 1.9527 -1093.1228 0.0000 0.0000 2691.9178 6150.8895 297.3298 3458.9717 6182.4730 297.4273 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: 9200.06, 0.00391487/step Wall: 9200.06, 0.00391487/step, 0.226845 hours remaining, 115.902344 MB of memory in use. ENERGY: 2291400 632.2268 1825.8484 1985.2826 109.2417 0.9400 -1049.9923 0.0000 0.0000 2644.0728 6147.6200 292.0452 3503.5472 6180.3815 296.8612 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: 9200.84, 0.0039162/step Wall: 9200.84, 0.0039162/step, 0.226704 hours remaining, 115.902344 MB of memory in use. ENERGY: 2291600 649.2547 1812.5027 1960.9591 115.3244 1.5036 -1081.1385 0.0000 0.0000 2716.8930 6175.2990 300.0884 3458.4060 6208.2748 296.7406 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: 9201.63, 0.00390932/step Wall: 9201.63, 0.00390932/step, 0.226089 hours remaining, 115.902344 MB of memory in use. ENERGY: 2291800 640.5099 1815.7495 1982.7022 102.6921 1.0113 -1068.1263 0.0000 0.0000 2721.8998 6196.4385 300.6414 3474.5387 6229.4706 298.4086 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: 9202.41, 0.00391561/step Wall: 9202.41, 0.00391561/step, 0.226235 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2292000 644.2649 1829.8246 1983.8734 101.1119 1.0305 -1082.4139 0.0000 0.0000 2684.9882 6162.6796 296.5644 3477.6914 6196.3116 298.0927 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: 9203.19, 0.00391532/step Wall: 9203.19, 0.00391532/step, 0.226001 hours remaining, 115.902344 MB of memory in use. ENERGY: 2292200 658.2770 1828.0858 1994.2720 100.7807 -0.5062 -1068.9454 0.0000 0.0000 2692.6376 6204.6015 297.4093 3511.9638 6236.7681 297.7860 LDB: ============= START OF LOAD BALANCING ============== 9205.89 LDB: ============== END OF LOAD BALANCING =============== 9205.89 LDB: =============== DONE WITH MIGRATION ================ 9205.89 LDB: ============= START OF LOAD BALANCING ============== 9206.29 LDB: ============== END OF LOAD BALANCING =============== 9206.29 LDB: =============== DONE WITH MIGRATION ================ 9206.29 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: 9203.98, 0.00391921/step Wall: 9203.98, 0.00391921/step, 0.226008 hours remaining, 115.902344 MB of memory in use. ENERGY: 2292400 614.5356 1859.5053 1969.0674 105.5027 2.0511 -1080.1463 0.0000 0.0000 2728.4137 6198.9294 301.3609 3470.5157 6232.8284 298.9994 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: 9204.76, 0.00391561/step Wall: 9204.76, 0.0039156/step, 0.225582 hours remaining, 115.902344 MB of memory in use. ENERGY: 2292600 676.5855 1878.2808 1963.2291 102.3815 0.9681 -1077.0496 0.0000 0.0000 2698.7657 6243.1611 298.0862 3544.3954 6277.3290 302.0083 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: 9205.54, 0.00390919/step Wall: 9205.54, 0.0039092/step, 0.224996 hours remaining, 115.902344 MB of memory in use. ENERGY: 2292800 665.0879 1876.6599 1976.1788 117.2756 0.7646 -1117.8416 0.0000 0.0000 2657.0451 6175.1703 293.4780 3518.1253 6204.8307 298.0370 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: 9206.32, 0.00391353/step Wall: 9206.32, 0.00391353/step, 0.225028 hours remaining, 115.902344 MB of memory in use. ENERGY: 2293000 639.6629 1871.2312 1978.8872 99.6991 1.2690 -1099.5326 0.0000 0.0000 2729.5414 6220.7581 301.4854 3491.2167 6253.9920 298.9817 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: 9207.11, 0.00391476/step Wall: 9207.11, 0.00391476/step, 0.224881 hours remaining, 115.902344 MB of memory in use. ENERGY: 2293200 639.6356 1860.3996 1997.6233 111.1164 0.7379 -1073.1139 0.0000 0.0000 2689.5703 6225.9692 297.0705 3536.3989 6260.2377 299.5361 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: 9207.89, 0.00391445/step Wall: 9207.89, 0.00391446/step, 0.224646 hours remaining, 115.902344 MB of memory in use. ENERGY: 2293400 697.2541 1795.9429 1955.0474 115.8994 0.2131 -1100.9448 0.0000 0.0000 2792.7682 6256.1803 308.4690 3463.4121 6292.4554 303.2315 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: 9208.67, 0.00391685/step Wall: 9208.67, 0.00391685/step, 0.224566 hours remaining, 115.902344 MB of memory in use. ENERGY: 2293600 680.7863 1841.3135 1994.5856 111.4268 0.2972 -1093.8887 0.0000 0.0000 2718.4604 6252.9811 300.2615 3534.5207 6285.4227 301.9877 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: 9209.46, 0.00391095/step Wall: 9209.46, 0.00391095/step, 0.22401 hours remaining, 115.902344 MB of memory in use. ENERGY: 2293800 666.8672 1882.5244 2014.5877 108.4610 -0.8057 -1141.8695 0.0000 0.0000 2668.9426 6198.7078 294.7921 3529.7652 6232.5760 299.7677 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: 9210.24, 0.00391483/step Wall: 9210.24, 0.00391483/step, 0.224015 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2294000 631.9323 1855.9225 1976.7466 103.4866 0.0367 -1122.0128 0.0000 0.0000 2707.7690 6153.8810 299.0806 3446.1120 6187.4821 298.2850 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: 9211.02, 0.00391547/step Wall: 9211.02, 0.00391547/step, 0.223834 hours remaining, 115.902344 MB of memory in use. ENERGY: 2294200 652.2543 1871.2175 1982.6172 96.4874 0.2405 -1084.7015 0.0000 0.0000 2741.8789 6259.9942 302.8482 3518.1153 6293.2984 300.4269 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: 9211.8, 0.003914/step Wall: 9211.8, 0.003914/step, 0.223533 hours remaining, 115.902344 MB of memory in use. ENERGY: 2294400 624.4872 1861.1866 1993.7622 105.0008 1.7312 -1124.8068 0.0000 0.0000 2787.7083 6249.0695 307.9101 3461.3611 6286.1544 305.1647 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: 9212.59, 0.00391032/step Wall: 9212.59, 0.00391032/step, 0.223105 hours remaining, 115.902344 MB of memory in use. ENERGY: 2294600 695.8896 1817.2280 1970.4624 109.1736 1.4018 -1080.0637 0.0000 0.0000 2723.9724 6238.0640 300.8703 3514.0916 6271.9454 301.1196 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: 9213.9, 0.00657188/step Wall: 9213.9, 0.00657188/step, 0.374597 hours remaining, 115.902344 MB of memory in use. ENERGY: 2294800 666.0181 1860.1327 1967.4232 102.7749 1.8429 -1075.8069 0.0000 0.0000 2689.0938 6211.4787 297.0179 3522.3849 6243.4306 299.2535 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: 9214.69, 0.00394129/step Wall: 9214.69, 0.00394129/step, 0.224435 hours remaining, 115.902344 MB of memory in use. ENERGY: 2295000 657.5059 1858.2296 1943.3715 110.1706 1.7701 -1093.2205 0.0000 0.0000 2638.0898 6115.9170 291.3844 3477.8272 6147.6376 297.5972 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: 9215.47, 0.00391047/step Wall: 9215.47, 0.00391046/step, 0.222462 hours remaining, 115.902344 MB of memory in use. ENERGY: 2295200 651.2588 1839.7909 1942.1944 105.4332 0.9608 -1082.9061 0.0000 0.0000 2687.9508 6144.6827 296.8917 3456.7319 6176.9801 295.6882 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: 9216.25, 0.00391372/step Wall: 9216.25, 0.00391372/step, 0.22243 hours remaining, 115.902344 MB of memory in use. ENERGY: 2295400 645.4424 1829.1770 1959.0329 111.2149 0.9537 -1086.9321 0.0000 0.0000 2651.1216 6110.0104 292.8238 3458.8888 6139.3218 296.1600 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: 9217.04, 0.00391531/step Wall: 9217.04, 0.00391531/step, 0.222302 hours remaining, 115.902344 MB of memory in use. ENERGY: 2295600 635.2600 1818.4515 1963.9701 99.3111 1.2656 -1121.9735 0.0000 0.0000 2693.0078 6089.2927 297.4502 3396.2849 6121.2332 294.1915 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: 9217.82, 0.00391402/step Wall: 9217.82, 0.00391402/step, 0.222012 hours remaining, 115.902344 MB of memory in use. ENERGY: 2295800 681.2561 1845.8906 1944.1885 114.1792 1.0711 -1120.5086 0.0000 0.0000 2670.8288 6136.9058 295.0005 3466.0771 6168.8818 295.8842 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: 9218.6, 0.00391001/step Wall: 9218.6, 0.00391001/step, 0.221567 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2296000 666.3928 1811.6736 1992.7414 111.5025 2.4042 -1081.4575 0.0000 0.0000 2688.3059 6191.5631 296.9309 3503.2572 6224.5242 299.0438 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: 9219.39, 0.00391638/step Wall: 9219.39, 0.00391638/step, 0.22171 hours remaining, 115.902344 MB of memory in use. ENERGY: 2296200 675.2645 1846.8668 1969.8731 103.8678 -0.0184 -1116.6087 0.0000 0.0000 2700.4295 6179.6747 298.2700 3479.2451 6212.2726 298.3637 LDB: ============= START OF LOAD BALANCING ============== 9222.09 LDB: ============== END OF LOAD BALANCING =============== 9222.09 LDB: =============== DONE WITH MIGRATION ================ 9222.09 LDB: ============= START OF LOAD BALANCING ============== 9222.48 LDB: ============== END OF LOAD BALANCING =============== 9222.48 LDB: =============== DONE WITH MIGRATION ================ 9222.48 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: 9220.17, 0.00392023/step Wall: 9220.17, 0.00392023/step, 0.221711 hours remaining, 115.902344 MB of memory in use. ENERGY: 2296400 652.8081 1832.1574 1962.7031 101.5766 0.7262 -1112.1531 0.0000 0.0000 2750.3483 6188.1666 303.7836 3437.8183 6221.4856 299.6807 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: 9220.95, 0.0039151/step Wall: 9220.95, 0.0039151/step, 0.221203 hours remaining, 115.902344 MB of memory in use. ENERGY: 2296600 675.7675 1802.7187 1968.2412 113.9123 0.4306 -1063.2362 0.0000 0.0000 2712.0602 6209.8942 299.5546 3497.8340 6243.3889 298.5659 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: 9221.74, 0.00391539/step Wall: 9221.74, 0.00391539/step, 0.221002 hours remaining, 115.902344 MB of memory in use. ENERGY: 2296800 682.6538 1886.5245 1922.8520 99.1566 2.2256 -1102.6835 0.0000 0.0000 2734.8400 6225.5689 302.0707 3490.7289 6259.3443 300.2798 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: 9222.52, 0.00391005/step Wall: 9222.52, 0.00391005/step, 0.220483 hours remaining, 115.902344 MB of memory in use. ENERGY: 2297000 650.7217 1867.6414 1938.9186 110.1685 0.3410 -1088.4820 0.0000 0.0000 2754.5964 6233.9054 304.2528 3479.3090 6271.1334 301.7513 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: 9223.3, 0.00391311/step Wall: 9223.3, 0.00391311/step, 0.220439 hours remaining, 115.902344 MB of memory in use. ENERGY: 2297200 664.9344 1895.6327 1978.9855 101.8614 0.4034 -1139.8904 0.0000 0.0000 2740.5153 6242.4424 302.6976 3501.9270 6276.2396 302.2099 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: 9224.08, 0.00391428/step Wall: 9224.08, 0.00391428/step, 0.220287 hours remaining, 115.902344 MB of memory in use. ENERGY: 2297400 676.2961 1869.4150 1952.1269 102.7054 1.2612 -1097.9604 0.0000 0.0000 2740.9107 6244.7548 302.7412 3503.8441 6282.0871 301.2865 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: 9224.87, 0.00391556/step Wall: 9224.87, 0.00391556/step, 0.220141 hours remaining, 115.902344 MB of memory in use. ENERGY: 2297600 669.2761 1896.7221 1920.8640 103.9228 0.6312 -1093.8174 0.0000 0.0000 2770.0417 6267.6405 305.9588 3497.5988 6302.7232 302.9831 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: 9225.65, 0.00390883/step Wall: 9225.65, 0.00390883/step, 0.219546 hours remaining, 115.902344 MB of memory in use. ENERGY: 2297800 632.2305 1833.0538 1965.7677 107.1949 0.6821 -1107.3025 0.0000 0.0000 2801.6256 6233.2522 309.4473 3431.6266 6271.1158 304.3730 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: 9226.43, 0.00391394/step Wall: 9226.43, 0.00391394/step, 0.219616 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2298000 645.7313 1870.1708 1997.8195 113.0082 1.4399 -1079.5168 0.0000 0.0000 2720.2257 6268.8786 300.4565 3548.6529 6302.0553 303.7408 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: 9227.21, 0.00391217/step Wall: 9227.21, 0.00391217/step, 0.219299 hours remaining, 115.902344 MB of memory in use. ENERGY: 2298200 645.2665 1825.4778 1961.5224 107.8440 0.9661 -1054.0165 0.0000 0.0000 2755.4261 6242.4864 304.3445 3487.0603 6274.9800 302.7828 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: 9228, 0.0039132/step Wall: 9228, 0.0039132/step, 0.219139 hours remaining, 115.902344 MB of memory in use. ENERGY: 2298400 647.4022 1863.3215 1984.1692 107.2915 -0.0509 -1105.0153 0.0000 0.0000 2767.8548 6264.9730 305.7173 3497.1182 6296.7145 300.3159 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: 9228.78, 0.0039167/step Wall: 9228.78, 0.0039167/step, 0.219118 hours remaining, 115.902344 MB of memory in use. ENERGY: 2298600 660.5948 1877.5429 1969.6068 114.6136 0.5444 -1041.9530 0.0000 0.0000 2705.7897 6286.7392 298.8620 3580.9494 6319.7394 301.9642 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: 9229.56, 0.00390844/step Wall: 9229.56, 0.00390844/step, 0.218438 hours remaining, 115.902344 MB of memory in use. ENERGY: 2298800 703.6529 1909.0142 1963.1759 118.3804 0.7151 -1084.3176 0.0000 0.0000 2742.2604 6352.8813 302.8903 3610.6208 6384.8195 303.7098 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: 9230.34, 0.00391525/step Wall: 9230.34, 0.00391526/step, 0.218602 hours remaining, 115.902344 MB of memory in use. ENERGY: 2299000 705.4310 1950.3355 1971.4355 99.8937 1.7178 -1096.3718 0.0000 0.0000 2771.1790 6403.6207 306.0844 3632.4417 6437.7971 306.2795 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: 9231.13, 0.00391392/step Wall: 9231.13, 0.00391392/step, 0.21831 hours remaining, 115.902344 MB of memory in use. ENERGY: 2299200 673.0338 1852.5407 1983.1184 113.1306 1.6819 -1061.0406 0.0000 0.0000 2743.4161 6305.8809 303.0180 3562.4648 6341.3544 305.2068 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: 9231.91, 0.00391511/step Wall: 9231.91, 0.00391511/step, 0.218159 hours remaining, 115.902344 MB of memory in use. ENERGY: 2299400 640.1690 1836.2755 1958.3800 116.6910 1.5658 -1061.9580 0.0000 0.0000 2764.9360 6256.0593 305.3949 3491.1233 6289.4185 301.7518 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: 9232.69, 0.00391438/step Wall: 9232.69, 0.00391438/step, 0.2179 hours remaining, 115.902344 MB of memory in use. ENERGY: 2299600 644.7840 1833.2076 1980.1019 122.2711 1.3041 -1050.1303 0.0000 0.0000 2716.9605 6248.4989 300.0959 3531.5384 6284.0296 301.4981 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: 9233.47, 0.00391067/step Wall: 9233.47, 0.00391067/step, 0.217476 hours remaining, 115.902344 MB of memory in use. ENERGY: 2299800 654.4510 1854.7580 1964.3287 100.7446 1.2360 -1090.7403 0.0000 0.0000 2733.0871 6217.8651 301.8771 3484.7780 6252.3917 299.5520 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: 9234.26, 0.00391549/step Wall: 9234.26, 0.00391549/step, 0.217527 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2300000 621.3911 1799.3854 2011.0499 109.1411 0.5280 -1070.5343 0.0000 0.0000 2764.4133 6235.3744 305.3371 3470.9612 6271.1169 300.3519 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2300000 WRITING COORDINATES TO DCD FILE MD.1.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: 9235.08, 0.00411338/step Wall: 9235.08, 0.00411338/step, 0.228293 hours remaining, 115.902344 MB of memory in use. ENERGY: 2300200 640.7949 1893.9550 1995.8756 111.4866 2.9771 -1096.1360 0.0000 0.0000 2696.2893 6245.2424 297.8127 3548.9531 6277.4847 300.3704 LDB: ============= START OF LOAD BALANCING ============== 9237.78 LDB: ============== END OF LOAD BALANCING =============== 9237.78 LDB: =============== DONE WITH MIGRATION ================ 9237.78 LDB: ============= START OF LOAD BALANCING ============== 9238.17 LDB: ============== END OF LOAD BALANCING =============== 9238.17 LDB: =============== DONE WITH MIGRATION ================ 9238.17 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: 9235.86, 0.00392032/step Wall: 9235.86, 0.00392032/step, 0.21736 hours remaining, 115.902344 MB of memory in use. ENERGY: 2300400 675.4349 1836.1075 1993.5449 105.3376 1.1692 -1088.3524 0.0000 0.0000 2717.8062 6241.0479 300.1893 3523.2417 6274.1286 299.1837 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: 9236.65, 0.00390956/step Wall: 9236.65, 0.00390956/step, 0.216546 hours remaining, 115.902344 MB of memory in use. ENERGY: 2300600 651.7466 1865.1878 1978.2350 114.6992 1.2269 -1069.3432 0.0000 0.0000 2697.3173 6239.0697 297.9262 3541.7524 6270.8544 299.5771 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: 9237.43, 0.00391305/step Wall: 9237.43, 0.00391305/step, 0.216522 hours remaining, 115.902344 MB of memory in use. ENERGY: 2300800 664.5279 1848.8184 1964.2009 110.4454 2.9757 -1065.2290 0.0000 0.0000 2758.5729 6284.3122 304.6921 3525.7393 6317.1315 301.4993 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: 9238.21, 0.00392223/step Wall: 9238.21, 0.00392223/step, 0.216812 hours remaining, 115.902344 MB of memory in use. ENERGY: 2301000 682.0257 1815.5111 1970.3399 103.6012 3.2446 -1068.3608 0.0000 0.0000 2742.4566 6248.8182 302.9120 3506.3616 6285.9665 301.9108 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: 9239, 0.00391447/step Wall: 9239, 0.00391447/step, 0.216166 hours remaining, 115.902344 MB of memory in use. ENERGY: 2301200 678.3675 1834.4068 1949.0427 91.5200 0.9225 -1062.5976 0.0000 0.0000 2705.5096 6197.1715 298.8311 3491.6618 6229.7812 300.1733 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: 9239.78, 0.00391389/step Wall: 9239.78, 0.00391389/step, 0.215916 hours remaining, 115.902344 MB of memory in use. ENERGY: 2301400 654.9990 1823.5425 1980.2549 101.0926 2.0196 -1092.6044 0.0000 0.0000 2703.7682 6173.0724 298.6387 3469.3042 6208.4217 299.0477 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: 9240.56, 0.00390905/step Wall: 9240.56, 0.00390905/step, 0.215432 hours remaining, 115.902344 MB of memory in use. ENERGY: 2301600 662.8598 1845.5478 1994.0288 106.0597 3.7231 -1102.1978 0.0000 0.0000 2696.4205 6206.4419 297.8272 3510.0214 6239.4480 296.9673 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: 9241.34, 0.00391427/step Wall: 9241.34, 0.00391427/step, 0.215502 hours remaining, 115.902344 MB of memory in use. ENERGY: 2301800 631.1737 1951.2032 1955.5819 98.8048 2.5115 -1061.6403 0.0000 0.0000 2663.2674 6240.9022 294.1653 3577.6348 6272.3201 300.1198 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: 9242.13, 0.00391305/step Wall: 9242.13, 0.00391305/step, 0.215218 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2302000 652.8431 1858.7796 1977.5332 106.9349 2.6896 -1100.2172 0.0000 0.0000 2753.5138 6252.0770 304.1333 3498.5632 6286.7524 300.8507 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: 9242.91, 0.00391374/step Wall: 9242.91, 0.00391374/step, 0.215039 hours remaining, 115.902344 MB of memory in use. ENERGY: 2302200 709.6754 1810.2030 1936.4493 113.2771 2.3303 -1055.0891 0.0000 0.0000 2687.1170 6203.9631 296.7996 3516.8461 6237.6241 299.9872 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: 9243.69, 0.00390903/step Wall: 9243.69, 0.00390903/step, 0.214562 hours remaining, 115.902344 MB of memory in use. ENERGY: 2302400 659.1057 1833.8927 1948.1910 95.6300 2.5725 -1086.3080 0.0000 0.0000 2732.8070 6185.8908 301.8461 3453.0838 6217.1965 299.1178 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: 9244.47, 0.00391588/step Wall: 9244.47, 0.00391588/step, 0.214721 hours remaining, 115.902344 MB of memory in use. ENERGY: 2302600 656.3535 1826.9947 1970.3956 108.4446 3.0900 -1087.0661 0.0000 0.0000 2728.0502 6206.2625 301.3207 3478.2123 6240.4350 298.8675 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: 9245.26, 0.00391348/step Wall: 9245.26, 0.00391348/step, 0.214371 hours remaining, 115.902344 MB of memory in use. ENERGY: 2302800 650.4892 1828.8288 1962.3392 105.8685 2.0702 -1070.0398 0.0000 0.0000 2687.6969 6167.2531 296.8636 3479.5562 6200.2478 298.9520 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: 9246.04, 0.00391422/step Wall: 9246.04, 0.00391422/step, 0.214195 hours remaining, 115.902344 MB of memory in use. ENERGY: 2303000 672.2647 1880.8603 1938.7020 101.2247 2.0681 -1089.6154 0.0000 0.0000 2661.6108 6167.1152 293.9823 3505.5044 6196.2030 296.3047 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: 9246.82, 0.00391411/step Wall: 9246.82, 0.00391411/step, 0.213971 hours remaining, 115.902344 MB of memory in use. ENERGY: 2303200 636.6968 1860.0492 1969.4797 100.5242 1.8730 -1133.0637 0.0000 0.0000 2672.9891 6108.5482 295.2391 3435.5591 6142.7975 294.9823 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: 9247.6, 0.00390893/step Wall: 9247.6, 0.00390893/step, 0.213471 hours remaining, 115.902344 MB of memory in use. ENERGY: 2303400 629.9778 1838.0272 1973.2352 110.6049 2.6852 -1104.3232 0.0000 0.0000 2657.5905 6107.7976 293.5383 3450.2071 6139.0707 294.4828 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: 9248.39, 0.00391371/step Wall: 9248.39, 0.00391371/step, 0.213515 hours remaining, 115.902344 MB of memory in use. ENERGY: 2303600 625.6780 1837.4447 1962.8044 101.5538 2.3393 -1075.2134 0.0000 0.0000 2709.0539 6163.6605 299.2225 3454.6067 6199.5856 296.5078 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: 9249.17, 0.00391253/step Wall: 9249.17, 0.00391253/step, 0.213233 hours remaining, 115.902344 MB of memory in use. ENERGY: 2303800 616.6681 1860.2447 1987.5394 106.4979 2.4542 -1067.3100 0.0000 0.0000 2655.6160 6161.7103 293.3202 3506.0943 6194.7175 296.5360 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: 9249.95, 0.00391623/step Wall: 9249.95, 0.00391623/step, 0.213217 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2304000 653.4463 1853.6802 1965.4801 101.6613 2.8220 -1098.0625 0.0000 0.0000 2685.8407 6164.8680 296.6586 3479.0273 6195.2320 299.6624 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: 9250.74, 0.00392146/step Wall: 9250.74, 0.00392146/step, 0.213284 hours remaining, 115.902344 MB of memory in use. ENERGY: 2304200 646.0993 1874.6576 1960.9330 103.6232 2.2826 -1129.7801 0.0000 0.0000 2712.8141 6170.6297 299.6379 3457.8156 6203.9734 296.7483 LDB: ============= START OF LOAD BALANCING ============== 9253.44 LDB: ============== END OF LOAD BALANCING =============== 9253.44 LDB: =============== DONE WITH MIGRATION ================ 9253.44 LDB: ============= START OF LOAD BALANCING ============== 9253.83 LDB: ============== END OF LOAD BALANCING =============== 9253.83 LDB: =============== DONE WITH MIGRATION ================ 9253.83 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: 9251.52, 0.00391636/step Wall: 9251.52, 0.00391636/step, 0.212789 hours remaining, 115.902344 MB of memory in use. ENERGY: 2304400 630.3262 1816.0932 1953.2272 97.3508 2.2445 -1077.1817 0.0000 0.0000 2736.9385 6158.9988 302.3025 3422.0602 6195.7433 299.1318 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: 9252.3, 0.00391698/step Wall: 9252.3, 0.00391698/step, 0.212605 hours remaining, 115.902344 MB of memory in use. ENERGY: 2304600 657.6612 1808.5808 1944.5678 108.6955 0.7601 -1081.0894 0.0000 0.0000 2674.0670 6113.2430 295.3582 3439.1760 6146.0104 296.9429 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: 9253.09, 0.00391474/step Wall: 9253.09, 0.00391474/step, 0.212266 hours remaining, 115.902344 MB of memory in use. ENERGY: 2304800 642.4299 1774.0296 1978.6211 94.9633 1.4806 -1053.1199 0.0000 0.0000 2715.1440 6153.5486 299.8952 3438.4046 6184.3307 294.7332 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: 9253.87, 0.003914/step Wall: 9253.87, 0.003914/step, 0.212008 hours remaining, 115.902344 MB of memory in use. ENERGY: 2305000 653.7922 1895.3233 1980.9467 94.2692 1.3744 -1100.1179 0.0000 0.0000 2680.1836 6205.7715 296.0337 3525.5879 6235.9173 298.7660 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: 9254.65, 0.00390764/step Wall: 9254.65, 0.00390764/step, 0.211447 hours remaining, 115.902344 MB of memory in use. ENERGY: 2305200 626.3659 1806.1594 1967.7987 108.3720 1.7290 -1090.3364 0.0000 0.0000 2677.1827 6097.2712 295.7023 3420.0884 6130.4064 296.7622 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: 9255.43, 0.00391342/step Wall: 9255.43, 0.00391342/step, 0.211542 hours remaining, 115.902344 MB of memory in use. ENERGY: 2305400 653.6125 1764.0258 1985.8935 108.1610 1.4029 -1104.7803 0.0000 0.0000 2660.2997 6068.6150 293.8375 3408.3154 6102.9238 293.3331 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: 9256.22, 0.00391284/step Wall: 9256.22, 0.00391284/step, 0.211293 hours remaining, 115.902344 MB of memory in use. ENERGY: 2305600 625.8893 1834.5737 1969.5469 108.5628 2.8407 -1108.8058 0.0000 0.0000 2666.7636 6099.3711 294.5515 3432.6075 6129.5833 294.2528 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: 9257, 0.00391346/step Wall: 9257, 0.00391346/step, 0.211109 hours remaining, 115.902344 MB of memory in use. ENERGY: 2305800 644.8737 1859.2366 1944.4490 103.6048 2.1519 -1125.9049 0.0000 0.0000 2695.1848 6123.5959 297.6907 3428.4112 6155.3553 294.6302 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: 9257.78, 0.00391257/step Wall: 9257.78, 0.00391257/step, 0.210844 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2306000 669.5723 1893.6008 1980.7141 108.6084 2.0182 -1103.9515 0.0000 0.0000 2582.6316 6133.1940 285.2589 3550.5624 6167.1291 296.8859 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: 9258.56, 0.00390954/step Wall: 9258.56, 0.00390954/step, 0.210464 hours remaining, 115.902344 MB of memory in use. ENERGY: 2306200 641.9621 1882.0277 1952.0200 110.3550 0.2014 -1100.2657 0.0000 0.0000 2687.8513 6174.1517 296.8807 3486.3004 6205.1625 296.4299 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: 9259.35, 0.00391423/step Wall: 9259.35, 0.00391423/step, 0.210499 hours remaining, 115.902344 MB of memory in use. ENERGY: 2306400 648.3243 1852.2754 1979.3213 110.4485 0.3505 -1083.0184 0.0000 0.0000 2683.0393 6190.7409 296.3492 3507.7016 6222.8156 296.0852 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: 9260.13, 0.00391436/step Wall: 9260.13, 0.00391436/step, 0.210288 hours remaining, 115.902344 MB of memory in use. ENERGY: 2306600 642.3240 1885.7814 1963.6313 105.8028 0.7693 -1075.4691 0.0000 0.0000 2665.6277 6188.4674 294.4260 3522.8397 6224.6706 298.1153 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: 9260.91, 0.00391379/step Wall: 9260.91, 0.00391379/step, 0.21004 hours remaining, 115.902344 MB of memory in use. ENERGY: 2306800 614.5223 1851.6838 1954.3054 116.6873 0.9684 -1040.8575 0.0000 0.0000 2701.4424 6198.7522 298.3818 3497.3098 6231.1141 297.7190 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: 9261.69, 0.00390901/step Wall: 9261.69, 0.00390901/step, 0.209566 hours remaining, 115.902344 MB of memory in use. ENERGY: 2307000 637.8035 1798.3615 1962.6991 114.2831 -0.0074 -1056.9903 0.0000 0.0000 2765.4940 6221.6436 305.4565 3456.1495 6257.3109 299.2929 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: 9262.48, 0.00391455/step Wall: 9262.48, 0.00391455/step, 0.209646 hours remaining, 115.902344 MB of memory in use. ENERGY: 2307200 664.6673 1866.3421 1967.2088 116.0162 1.3956 -1106.2395 0.0000 0.0000 2701.5939 6210.9845 298.3986 3509.3906 6243.9993 299.5665 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: 9263.26, 0.00391346/step Wall: 9263.26, 0.00391346/step, 0.20937 hours remaining, 115.902344 MB of memory in use. ENERGY: 2307400 646.1882 1862.9285 1955.2706 109.4074 1.0493 -1046.2454 0.0000 0.0000 2709.9315 6238.5301 299.3195 3528.5986 6273.7730 300.4771 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: 9264.04, 0.00391415/step Wall: 9264.04, 0.00391415/step, 0.20919 hours remaining, 115.902344 MB of memory in use. ENERGY: 2307600 640.3244 1869.6701 1971.4992 118.1527 2.1289 -1055.1974 0.0000 0.0000 2702.6455 6249.2234 298.5147 3546.5779 6280.0274 301.3114 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: 9264.82, 0.00391373/step Wall: 9264.82, 0.00391373/step, 0.208949 hours remaining, 115.902344 MB of memory in use. ENERGY: 2307800 640.1377 1902.8151 1959.7521 101.8511 3.2899 -1087.7352 0.0000 0.0000 2726.0235 6246.1342 301.0969 3520.1107 6278.1664 301.2900 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: 9265.61, 0.00390863/step Wall: 9265.61, 0.00390863/step, 0.20846 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2308000 655.8346 1845.7857 1981.5331 108.6759 3.7270 -1052.5540 0.0000 0.0000 2730.7911 6273.7934 301.6235 3543.0023 6308.7242 302.7411 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: 9266.39, 0.00391732/step Wall: 9266.39, 0.00391732/step, 0.208706 hours remaining, 115.902344 MB of memory in use. ENERGY: 2308200 685.0638 1890.8609 1951.7220 113.6864 2.3481 -1098.6607 0.0000 0.0000 2726.6095 6271.6299 301.1616 3545.0205 6304.7637 302.8383 LDB: ============= START OF LOAD BALANCING ============== 9269.09 LDB: ============== END OF LOAD BALANCING =============== 9269.09 LDB: =============== DONE WITH MIGRATION ================ 9269.09 LDB: ============= START OF LOAD BALANCING ============== 9269.48 LDB: ============== END OF LOAD BALANCING =============== 9269.48 LDB: =============== DONE WITH MIGRATION ================ 9269.48 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: 9267.17, 0.00391789/step Wall: 9267.17, 0.00391789/step, 0.208519 hours remaining, 115.902344 MB of memory in use. ENERGY: 2308400 661.1588 1851.6914 1960.0007 114.4803 1.8108 -1085.1437 0.0000 0.0000 2750.5341 6254.5323 303.8042 3503.9981 6287.1307 302.2941 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: 9267.96, 0.00391343/step Wall: 9267.96, 0.00391343/step, 0.208064 hours remaining, 115.902344 MB of memory in use. ENERGY: 2308600 659.3172 1827.6439 1984.4410 107.6131 1.7412 -1064.9865 0.0000 0.0000 2673.9335 6189.7034 295.3434 3515.7700 6223.1277 301.8341 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: 9268.74, 0.00391085/step Wall: 9268.74, 0.00391085/step, 0.20771 hours remaining, 115.902344 MB of memory in use. ENERGY: 2308800 622.2817 1796.9849 1956.7595 120.5313 1.8711 -1093.8739 0.0000 0.0000 2757.8692 6162.4239 304.6143 3404.5547 6198.0748 299.1642 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: 9269.52, 0.00391309/step Wall: 9269.52, 0.00391309/step, 0.207611 hours remaining, 115.902344 MB of memory in use. ENERGY: 2309000 667.5986 1859.7473 1959.2690 117.0438 1.8677 -1095.2551 0.0000 0.0000 2682.9972 6193.2686 296.3445 3510.2714 6224.8609 298.0052 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: 9270.3, 0.00391313/step Wall: 9270.3, 0.00391313/step, 0.207396 hours remaining, 115.902344 MB of memory in use. ENERGY: 2309200 673.9308 1793.3554 1966.5371 109.1929 0.3725 -1083.2504 0.0000 0.0000 2736.8183 6196.9566 302.2892 3460.1383 6229.5767 298.4818 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: 9271.09, 0.00391269/step Wall: 9271.09, 0.00391269/step, 0.207155 hours remaining, 115.902344 MB of memory in use. ENERGY: 2309400 662.4537 1812.7820 1953.6677 110.4124 1.5998 -1049.6719 0.0000 0.0000 2620.0742 6111.3178 289.3945 3491.2436 6141.2746 297.1683 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: 9271.87, 0.00391251/step Wall: 9271.87, 0.00391251/step, 0.206928 hours remaining, 115.902344 MB of memory in use. ENERGY: 2309600 637.6021 1869.9297 1943.1004 105.7610 1.4607 -1065.1728 0.0000 0.0000 2632.4783 6125.1594 290.7646 3492.6812 6157.6362 293.5744 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: 9272.65, 0.00390671/step Wall: 9272.65, 0.00390671/step, 0.206405 hours remaining, 115.902344 MB of memory in use. ENERGY: 2309800 643.4790 1838.1385 1941.8092 103.7184 2.8571 -1076.0701 0.0000 0.0000 2654.5517 6108.4838 293.2026 3453.9321 6142.2042 294.8601 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: 9273.43, 0.0039123/step Wall: 9273.43, 0.0039123/step, 0.206483 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2310000 662.9443 1858.5042 1939.4973 115.3815 0.7457 -1086.7931 0.0000 0.0000 2653.6402 6143.9200 293.1020 3490.2798 6175.0119 294.5297 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2310000 WRITING COORDINATES TO DCD FILE MD.1.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: 9274.26, 0.00414752/step Wall: 9274.26, 0.00414752/step, 0.218666 hours remaining, 115.902344 MB of memory in use. ENERGY: 2310200 674.7878 1797.1147 1960.1704 114.8121 3.3835 -1063.1056 0.0000 0.0000 2657.9073 6145.0703 293.5733 3487.1629 6175.8233 296.5853 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: 9275.04, 0.00391103/step Wall: 9275.04, 0.00391103/step, 0.205981 hours remaining, 115.902344 MB of memory in use. ENERGY: 2310400 637.6210 1815.5672 1979.8330 107.2588 3.0721 -1048.8631 0.0000 0.0000 2725.5556 6220.0446 301.0452 3494.4890 6251.7185 299.1936 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: 9275.83, 0.00391289/step Wall: 9275.83, 0.00391289/step, 0.205861 hours remaining, 115.902344 MB of memory in use. ENERGY: 2310600 670.1259 1835.2610 1974.3528 127.0515 1.7568 -1111.8019 0.0000 0.0000 2719.5599 6216.3060 300.3830 3496.7461 6250.5134 301.4574 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: 9276.61, 0.0039079/step Wall: 9276.61, 0.0039079/step, 0.205382 hours remaining, 115.902344 MB of memory in use. ENERGY: 2310800 648.7666 1806.3823 1997.8847 96.1820 2.6988 -1094.7945 0.0000 0.0000 2745.2288 6202.3487 303.2182 3457.1199 6238.8256 297.7742 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: 9277.39, 0.00391331/step Wall: 9277.39, 0.00391331/step, 0.205449 hours remaining, 115.902344 MB of memory in use. ENERGY: 2311000 642.7229 1853.3471 1995.8603 113.1676 1.3538 -1090.4948 0.0000 0.0000 2689.6192 6205.5761 297.0759 3515.9569 6237.8251 298.3759 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: 9278.18, 0.00392357/step Wall: 9278.18, 0.00392357/step, 0.205769 hours remaining, 115.902344 MB of memory in use. ENERGY: 2311200 625.3806 1854.0153 1948.6049 111.5348 1.0772 -1055.5956 0.0000 0.0000 2740.3999 6225.4171 302.6848 3485.0172 6258.7249 300.3241 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: 9278.96, 0.00391473/step Wall: 9278.96, 0.00391473/step, 0.205088 hours remaining, 115.902344 MB of memory in use. ENERGY: 2311400 665.5841 1876.4398 1961.7217 106.3861 1.9808 -1073.7667 0.0000 0.0000 2722.7491 6261.0950 300.7352 3538.3459 6294.8214 301.7740 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: 9279.74, 0.00390915/step Wall: 9279.74, 0.00390915/step, 0.204579 hours remaining, 115.902344 MB of memory in use. ENERGY: 2311600 658.1233 1816.3417 1960.7553 108.7006 1.5985 -1068.6447 0.0000 0.0000 2725.1265 6202.0012 300.9978 3476.8747 6236.9231 300.6338 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: 9280.52, 0.00391566/step Wall: 9280.52, 0.00391566/step, 0.204702 hours remaining, 115.902344 MB of memory in use. ENERGY: 2311800 633.4288 1887.9424 1997.8702 96.8379 2.7572 -1047.8739 0.0000 0.0000 2637.4635 6208.4260 291.3152 3570.9626 6237.9322 299.2864 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: 9281.31, 0.00391496/step Wall: 9281.31, 0.00391496/step, 0.204448 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2312000 659.8046 1842.7626 1938.6756 113.7911 3.8196 -1098.9090 0.0000 0.0000 2735.0949 6195.0393 302.0988 3459.9445 6228.1836 297.7458 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: 9282.09, 0.0039158/step Wall: 9282.09, 0.0039158/step, 0.204274 hours remaining, 115.902344 MB of memory in use. ENERGY: 2312200 658.1912 1840.1932 2002.1815 115.3903 3.7358 -1108.5857 0.0000 0.0000 2692.5122 6203.6186 297.3955 3511.1063 6237.0423 299.6359 LDB: ============= START OF LOAD BALANCING ============== 9284.79 LDB: ============== END OF LOAD BALANCING =============== 9284.79 LDB: =============== DONE WITH MIGRATION ================ 9284.79 LDB: ============= START OF LOAD BALANCING ============== 9285.18 LDB: ============== END OF LOAD BALANCING =============== 9285.18 LDB: =============== DONE WITH MIGRATION ================ 9285.18 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: 9282.87, 0.00392001/step Wall: 9282.87, 0.00392001/step, 0.204276 hours remaining, 115.902344 MB of memory in use. ENERGY: 2312400 648.0118 1830.4039 1962.4778 108.0834 3.8218 -1065.4195 0.0000 0.0000 2678.1328 6165.5119 295.8072 3487.3791 6198.4168 296.6873 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: 9283.66, 0.00390975/step Wall: 9283.66, 0.00390975/step, 0.203524 hours remaining, 115.902344 MB of memory in use. ENERGY: 2312600 617.6672 1852.8672 1924.7590 95.5385 3.2879 -1049.6506 0.0000 0.0000 2699.8725 6144.3417 298.2084 3444.4692 6175.6686 294.8812 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: 9284.44, 0.00391629/step Wall: 9284.44, 0.00391629/step, 0.203647 hours remaining, 115.902344 MB of memory in use. ENERGY: 2312800 640.4035 1843.3954 1957.7003 106.3688 3.8106 -1089.6978 0.0000 0.0000 2726.0521 6188.0329 301.1000 3461.9809 6220.0113 295.9772 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: 9285.22, 0.00391487/step Wall: 9285.22, 0.00391487/step, 0.203356 hours remaining, 115.902344 MB of memory in use. ENERGY: 2313000 648.6664 1880.5662 1930.3048 109.9770 3.8440 -1070.0863 0.0000 0.0000 2604.4708 6107.7430 287.6711 3503.2722 6138.6761 295.3024 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: 9286, 0.00391436/step Wall: 9286, 0.00391436/step, 0.203112 hours remaining, 115.902344 MB of memory in use. ENERGY: 2313200 657.3782 1890.9101 1965.1523 101.1570 3.3002 -1092.1290 0.0000 0.0000 2659.7821 6185.5510 293.7803 3525.7689 6217.3081 293.9237 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: 9286.79, 0.00390828/step Wall: 9286.79, 0.00390828/step, 0.202579 hours remaining, 115.902344 MB of memory in use. ENERGY: 2313400 644.4054 1817.1418 1973.4745 103.3382 2.8393 -1080.0132 0.0000 0.0000 2753.2842 6214.4702 304.1079 3461.1860 6248.0077 300.4392 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: 9287.57, 0.00391346/step Wall: 9287.57, 0.00391346/step, 0.20263 hours remaining, 115.902344 MB of memory in use. ENERGY: 2313600 656.6769 1894.5138 1951.4083 106.6934 3.5789 -1077.5119 0.0000 0.0000 2693.3958 6228.7552 297.4931 3535.3594 6260.1806 298.7448 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: 9288.35, 0.00391528/step Wall: 9288.35, 0.00391528/step, 0.202507 hours remaining, 115.902344 MB of memory in use. ENERGY: 2313800 651.7587 1831.4557 1964.3488 115.0008 1.7721 -1080.3633 0.0000 0.0000 2708.4197 6192.3924 299.1525 3483.9728 6226.9966 299.5140 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: 9289.14, 0.0039149/step Wall: 9289.14, 0.0039149/step, 0.20227 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2314000 672.4368 1886.3194 1953.3697 105.6102 2.3655 -1082.5799 0.0000 0.0000 2658.5565 6196.0782 293.6450 3537.5217 6225.2991 297.9938 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: 9289.92, 0.00391708/step Wall: 9289.92, 0.00391708/step, 0.202165 hours remaining, 115.902344 MB of memory in use. ENERGY: 2314200 650.3024 1848.0149 1982.2165 104.5680 2.4092 -1115.0336 0.0000 0.0000 2698.7779 6171.2553 298.0875 3472.4774 6204.7033 297.9369 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: 9290.7, 0.00390765/step Wall: 9290.7, 0.00390765/step, 0.201461 hours remaining, 115.902344 MB of memory in use. ENERGY: 2314400 662.1599 1842.7471 1963.9283 126.3686 1.0846 -1120.1724 0.0000 0.0000 2663.2470 6139.3632 294.1631 3476.1161 6168.7422 298.4668 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: 9291.48, 0.00391512/step Wall: 9291.48, 0.00391512/step, 0.201629 hours remaining, 115.902344 MB of memory in use. ENERGY: 2314600 630.6776 1837.4301 1999.7011 117.9238 1.4964 -1080.1265 0.0000 0.0000 2703.1959 6210.2983 298.5755 3507.1024 6242.0040 298.2278 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: 9292.27, 0.00391385/step Wall: 9292.27, 0.00391385/step, 0.201346 hours remaining, 115.902344 MB of memory in use. ENERGY: 2314800 691.7422 1834.5174 1944.9973 120.0365 2.2431 -1055.5974 0.0000 0.0000 2712.1935 6250.1325 299.5693 3537.9390 6281.9361 300.1298 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: 9293.05, 0.00391492/step Wall: 9293.05, 0.00391492/step, 0.201184 hours remaining, 115.902344 MB of memory in use. ENERGY: 2315000 661.4285 1844.3422 1974.6666 105.7679 2.3666 -1072.0554 0.0000 0.0000 2698.0750 6214.5914 298.0099 3516.5164 6246.9781 299.9060 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: 9293.83, 0.00391559/step Wall: 9293.83, 0.00391559/step, 0.201001 hours remaining, 115.902344 MB of memory in use. ENERGY: 2315200 671.6506 1820.5864 1956.4692 106.0547 2.2024 -1068.6555 0.0000 0.0000 2702.4917 6190.7995 298.4977 3488.3078 6221.4826 299.6278 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: 9294.61, 0.00390826/step Wall: 9294.61, 0.00390826/step, 0.200407 hours remaining, 115.902344 MB of memory in use. ENERGY: 2315400 648.3999 1899.4124 1960.4330 98.6597 3.9066 -1114.6333 0.0000 0.0000 2658.9205 6155.0989 293.6852 3496.1784 6185.0696 296.9591 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: 9295.4, 0.00391668/step Wall: 9295.4, 0.00391668/step, 0.200621 hours remaining, 115.902344 MB of memory in use. ENERGY: 2315600 649.0929 1901.7921 1936.6856 100.3127 2.7852 -1112.7945 0.0000 0.0000 2686.0713 6163.9453 296.6841 3477.8741 6196.4137 297.1180 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: 9296.18, 0.00391491/step Wall: 9296.18, 0.00391491/step, 0.200313 hours remaining, 115.902344 MB of memory in use. ENERGY: 2315800 651.8777 1864.0180 1943.6665 106.9756 2.6290 -1082.0157 0.0000 0.0000 2724.8112 6211.9623 300.9630 3487.1511 6247.1213 296.2119 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: 9296.96, 0.00391636/step Wall: 9296.96, 0.00391636/step, 0.20017 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2316000 674.9580 1872.0254 1950.0943 98.7669 1.6324 -1095.4827 0.0000 0.0000 2649.5655 6151.5599 292.6519 3501.9944 6182.8373 298.1224 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: 9297.74, 0.00390813/step Wall: 9297.74, 0.00390813/step, 0.199532 hours remaining, 115.902344 MB of memory in use. ENERGY: 2316200 642.5275 1841.0457 1955.3793 103.7330 1.8678 -1045.1814 0.0000 0.0000 2648.7374 6148.1092 292.5604 3499.3719 6178.9055 294.6106 LDB: ============= START OF LOAD BALANCING ============== 9300.45 LDB: ============== END OF LOAD BALANCING =============== 9300.45 LDB: =============== DONE WITH MIGRATION ================ 9300.45 LDB: ============= START OF LOAD BALANCING ============== 9300.84 LDB: ============== END OF LOAD BALANCING =============== 9300.84 LDB: =============== DONE WITH MIGRATION ================ 9300.84 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: 9298.53, 0.00392056/step Wall: 9298.53, 0.00392056/step, 0.199949 hours remaining, 115.902344 MB of memory in use. ENERGY: 2316400 641.6037 1895.6216 1950.5807 109.6808 2.5418 -1108.6127 0.0000 0.0000 2685.9121 6177.3281 296.6665 3491.4160 6208.9771 296.3397 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: 9299.31, 0.0039144/step Wall: 9299.31, 0.0039144/step, 0.199417 hours remaining, 115.902344 MB of memory in use. ENERGY: 2316600 659.7206 1821.7583 1969.4827 120.9818 1.8407 -1075.2073 0.0000 0.0000 2660.5359 6159.1128 293.8636 3498.5768 6190.6009 298.7730 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: 9300.09, 0.00391599/step Wall: 9300.09, 0.00391599/step, 0.19928 hours remaining, 115.902344 MB of memory in use. ENERGY: 2316800 661.6839 1837.7948 1937.4331 106.2262 2.0108 -1097.5064 0.0000 0.0000 2703.2854 6150.9278 298.5854 3447.6424 6182.3542 296.6883 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: 9300.93, 0.00418036/step Wall: 9300.93, 0.00418036/step, 0.212502 hours remaining, 115.902344 MB of memory in use. ENERGY: 2317000 675.2657 1883.3686 1928.7009 99.6607 3.3786 -1091.5834 0.0000 0.0000 2613.5510 6112.3422 288.6740 3498.7912 6144.5205 295.8216 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: 9301.71, 0.00391148/step Wall: 9301.71, 0.00391148/step, 0.198616 hours remaining, 115.902344 MB of memory in use. ENERGY: 2317200 638.0223 1796.5723 1932.9305 100.8221 2.2602 -1052.2165 0.0000 0.0000 2706.3318 6124.7226 298.9219 3418.3908 6158.6436 295.1510 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: 9302.5, 0.00390849/step Wall: 9302.5, 0.00390849/step, 0.198248 hours remaining, 115.902344 MB of memory in use. ENERGY: 2317400 617.2801 1854.2050 1963.5360 103.3736 1.8605 -1081.5091 0.0000 0.0000 2656.3646 6115.1107 293.4029 3458.7460 6148.0924 295.3147 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: 9303.28, 0.00390872/step Wall: 9303.28, 0.00390871/step, 0.198041 hours remaining, 115.902344 MB of memory in use. ENERGY: 2317600 633.2136 1842.8548 1965.9308 110.3949 2.5140 -1064.9238 0.0000 0.0000 2637.2761 6127.2604 291.2945 3489.9843 6159.7249 295.7267 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: 9304.06, 0.00390998/step Wall: 9304.06, 0.00390998/step, 0.197889 hours remaining, 115.902344 MB of memory in use. ENERGY: 2317800 638.1684 1821.7841 1963.2858 107.5755 2.6368 -1105.7853 0.0000 0.0000 2685.3241 6112.9895 296.6015 3427.6654 6145.2106 296.8243 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: 9304.84, 0.00390862/step Wall: 9304.84, 0.00390862/step, 0.197602 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2318000 660.5338 1842.5999 1963.8989 105.4738 2.5619 -1101.8999 0.0000 0.0000 2678.0088 6151.1772 295.7935 3473.1684 6182.4124 296.8111 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: 9305.62, 0.00390703/step Wall: 9305.62, 0.00390703/step, 0.197305 hours remaining, 115.902344 MB of memory in use. ENERGY: 2318200 649.1123 1833.4507 1975.0632 106.1461 2.5929 -1110.4910 0.0000 0.0000 2681.1308 6137.0049 296.1384 3455.8741 6172.5659 295.8190 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: 9306.4, 0.00390897/step Wall: 9306.4, 0.00390897/step, 0.197186 hours remaining, 115.902344 MB of memory in use. ENERGY: 2318400 646.5380 1821.8882 1955.8396 113.8134 1.1000 -1100.9963 0.0000 0.0000 2737.2883 6175.4711 302.3411 3438.1828 6207.2403 296.9365 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: 9307.19, 0.00390784/step Wall: 9307.19, 0.00390784/step, 0.196912 hours remaining, 115.902344 MB of memory in use. ENERGY: 2318600 610.9943 1861.0512 1945.6586 104.3971 1.6393 -1094.7534 0.0000 0.0000 2699.8721 6128.8592 298.2084 3428.9871 6160.9534 298.0947 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: 9307.97, 0.00390942/step Wall: 9307.97, 0.00390942/step, 0.196774 hours remaining, 115.902344 MB of memory in use. ENERGY: 2318800 673.4361 1819.7266 1951.0155 107.0106 1.8332 -1109.1350 0.0000 0.0000 2701.0357 6144.9227 298.3369 3443.8870 6178.0823 296.7383 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: 9308.75, 0.00390702/step Wall: 9308.75, 0.00390702/step, 0.196437 hours remaining, 115.902344 MB of memory in use. ENERGY: 2319000 637.5756 1793.9155 1937.3217 112.0071 2.1329 -1114.9976 0.0000 0.0000 2758.3176 6126.2727 304.6639 3367.9551 6161.9653 297.5802 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: 9309.53, 0.00390828/step Wall: 9309.53, 0.00390828/step, 0.196283 hours remaining, 115.902344 MB of memory in use. ENERGY: 2319200 630.1344 1853.2990 1984.9339 107.9362 1.3043 -1102.5439 0.0000 0.0000 2661.2765 6136.3403 293.9454 3475.0638 6171.3471 295.9085 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: 9310.31, 0.00390909/step Wall: 9310.31, 0.00390909/step, 0.196106 hours remaining, 115.902344 MB of memory in use. ENERGY: 2319400 621.8501 1829.4634 1946.1321 100.9711 2.9996 -1094.6490 0.0000 0.0000 2729.2156 6135.9829 301.4495 3406.7673 6173.1340 296.5898 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: 9311.1, 0.00392457/step Wall: 9311.1, 0.00392457/step, 0.196664 hours remaining, 115.902344 MB of memory in use. ENERGY: 2319600 652.1749 1842.0203 1938.9496 114.5738 2.0487 -1076.7424 0.0000 0.0000 2713.1401 6186.1648 299.6739 3473.0248 6218.2371 300.1737 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: 9311.88, 0.00391118/step Wall: 9311.88, 0.00391118/step, 0.195776 hours remaining, 115.902344 MB of memory in use. ENERGY: 2319800 630.1845 1807.3752 1923.7990 92.9574 3.3423 -1098.3480 0.0000 0.0000 2764.7911 6124.1014 305.3789 3359.3104 6159.5614 299.1604 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: 9312.66, 0.00390829/step Wall: 9312.66, 0.00390829/step, 0.195414 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2320000 649.3121 1810.9547 1968.5639 105.7026 2.0135 -1103.1437 0.0000 0.0000 2685.2804 6118.6835 296.5967 3433.4032 6153.2539 295.8571 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2320000 WRITING COORDINATES TO DCD FILE MD.1.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: 9313.52, 0.00428926/step Wall: 9313.52, 0.00428926/step, 0.214225 hours remaining, 115.902344 MB of memory in use. ENERGY: 2320200 644.8081 1802.5190 1930.0461 109.0384 3.0225 -1072.1280 0.0000 0.0000 2645.1631 6062.4692 292.1656 3417.3061 6095.2243 293.5290 LDB: ============= START OF LOAD BALANCING ============== 9316.22 LDB: ============== END OF LOAD BALANCING =============== 9316.22 LDB: =============== DONE WITH MIGRATION ================ 9316.22 LDB: ============= START OF LOAD BALANCING ============== 9316.61 LDB: ============== END OF LOAD BALANCING =============== 9316.61 LDB: =============== DONE WITH MIGRATION ================ 9316.61 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: 9314.31, 0.00393209/step Wall: 9314.31, 0.00393209/step, 0.196168 hours remaining, 115.902344 MB of memory in use. ENERGY: 2320400 636.1494 1814.3222 1938.3678 120.0901 1.3733 -1093.0471 0.0000 0.0000 2645.9899 6063.2456 292.2569 3417.2557 6092.7671 293.6074 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: 9315.09, 0.003918/step Wall: 9315.09, 0.003918/step, 0.195247 hours remaining, 115.902344 MB of memory in use. ENERGY: 2320600 646.2373 1800.0426 1952.9521 114.5104 0.8533 -1117.5552 0.0000 0.0000 2712.3931 6109.4336 299.5914 3397.0405 6144.2761 294.3901 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: 9315.87, 0.00391616/step Wall: 9315.87, 0.00391616/step, 0.194938 hours remaining, 115.902344 MB of memory in use. ENERGY: 2320800 630.5358 1851.1481 1962.4303 122.8763 1.4799 -1094.7995 0.0000 0.0000 2677.7027 6151.3736 295.7597 3473.6709 6181.6691 297.1800 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: 9316.65, 0.003909/step Wall: 9316.65, 0.003909/step, 0.194364 hours remaining, 115.902344 MB of memory in use. ENERGY: 2321000 694.3430 1790.9374 2005.6813 97.8811 2.0117 -1127.9403 0.0000 0.0000 2651.4976 6114.4117 292.8653 3462.9142 6148.0878 295.4364 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: 9317.44, 0.00391528/step Wall: 9317.44, 0.00391528/step, 0.194459 hours remaining, 115.902344 MB of memory in use. ENERGY: 2321200 669.9511 1867.7370 1989.4072 105.3113 2.2680 -1106.7963 0.0000 0.0000 2653.2862 6181.1644 293.0629 3527.8782 6212.7166 296.7190 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: 9318.22, 0.00392161/step Wall: 9318.22, 0.00392161/step, 0.194555 hours remaining, 115.902344 MB of memory in use. ENERGY: 2321400 645.7165 1884.2431 1966.2548 117.4477 2.3261 -1111.1369 0.0000 0.0000 2690.4212 6195.2724 297.1645 3504.8513 6229.8915 299.2929 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: 9319, 0.00391324/step Wall: 9319, 0.00391324/step, 0.193923 hours remaining, 115.902344 MB of memory in use. ENERGY: 2321600 656.2133 1778.5252 1965.1116 101.2614 1.0193 -1086.6262 0.0000 0.0000 2725.4956 6141.0002 301.0386 3415.5046 6176.3077 297.5674 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: 9319.79, 0.00390719/step Wall: 9319.79, 0.00390719/step, 0.193406 hours remaining, 115.902344 MB of memory in use. ENERGY: 2321800 660.0847 1828.2282 1956.3245 107.2723 1.3341 -1092.7824 0.0000 0.0000 2699.8790 6160.3404 298.2092 3460.4614 6192.6158 296.7772 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: 9320.57, 0.00391315/step Wall: 9320.57, 0.00391315/step, 0.193483 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2322000 674.6149 1813.8259 1958.8869 113.5495 2.2603 -1095.7682 0.0000 0.0000 2683.0834 6150.4527 296.3540 3467.3693 6182.9029 296.0552 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: 9321.35, 0.00391284/step Wall: 9321.35, 0.00391284/step, 0.193251 hours remaining, 115.902344 MB of memory in use. ENERGY: 2322200 659.6843 1866.6434 1965.7032 104.7306 1.9923 -1126.7784 0.0000 0.0000 2681.8358 6153.8112 296.2162 3471.9754 6185.4610 295.8374 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: 9322.13, 0.00391232/step Wall: 9322.13, 0.00391232/step, 0.193008 hours remaining, 115.902344 MB of memory in use. ENERGY: 2322400 666.2495 1841.2316 1960.0880 102.5158 1.3764 -1091.3655 0.0000 0.0000 2730.4476 6210.5434 301.5855 3480.0958 6245.7542 297.9103 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: 9322.92, 0.0039141/step Wall: 9322.92, 0.0039141/step, 0.192878 hours remaining, 115.902344 MB of memory in use. ENERGY: 2322600 644.5984 1887.5639 1961.7570 112.2308 1.8427 -1117.8474 0.0000 0.0000 2722.0379 6212.1833 300.6567 3490.1454 6242.8474 302.4778 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: 9323.7, 0.00390858/step Wall: 9323.7, 0.00390858/step, 0.192389 hours remaining, 115.902344 MB of memory in use. ENERGY: 2322800 658.1992 1845.9228 1938.1047 120.6671 2.4862 -1102.4884 0.0000 0.0000 2697.1045 6159.9960 297.9027 3462.8915 6193.0595 297.9886 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: 9324.48, 0.00391387/step Wall: 9324.48, 0.00391387/step, 0.192432 hours remaining, 115.902344 MB of memory in use. ENERGY: 2323000 636.5503 1848.2407 1958.3526 89.3757 1.6352 -1076.4522 0.0000 0.0000 2741.3517 6199.0539 302.7899 3457.7022 6232.1949 299.5229 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: 9325.26, 0.00391479/step Wall: 9325.26, 0.00391479/step, 0.19226 hours remaining, 115.902344 MB of memory in use. ENERGY: 2323200 654.6963 1868.8652 1955.3966 102.1525 1.5087 -1082.6955 0.0000 0.0000 2700.1910 6200.1148 298.2436 3499.9238 6231.8163 299.6859 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: 9326.05, 0.00391615/step Wall: 9326.05, 0.00391615/step, 0.192109 hours remaining, 115.902344 MB of memory in use. ENERGY: 2323400 678.3330 1833.9077 1941.3002 106.3810 2.5237 -1112.6157 0.0000 0.0000 2713.9028 6163.7327 299.7581 3449.8299 6199.2495 298.8270 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: 9326.83, 0.00391003/step Wall: 9326.83, 0.00391003/step, 0.191592 hours remaining, 115.902344 MB of memory in use. ENERGY: 2323600 691.8401 1826.8264 1950.3299 105.9316 1.3469 -1117.8597 0.0000 0.0000 2704.2911 6162.7063 298.6965 3458.4152 6193.5869 297.7062 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: 9327.61, 0.00391493/step Wall: 9327.61, 0.00391492/step, 0.191614 hours remaining, 115.902344 MB of memory in use. ENERGY: 2323800 626.0952 1827.0916 1979.6802 95.4268 0.9089 -1088.1943 0.0000 0.0000 2749.7081 6190.7166 303.7129 3441.0084 6223.6953 298.0205 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: 9328.39, 0.003915/step Wall: 9328.39, 0.003915/step, 0.1914 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2324000 661.3031 1864.1843 1936.8884 113.0138 2.3539 -1140.6964 0.0000 0.0000 2743.6698 6180.7169 303.0460 3437.0470 6211.1808 297.9462 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: 9329.18, 0.00391446/step Wall: 9329.18, 0.00391446/step, 0.191156 hours remaining, 115.902344 MB of memory in use. ENERGY: 2324200 651.4203 1853.2649 1916.9109 95.3282 3.7658 -1100.5851 0.0000 0.0000 2738.5557 6158.6608 302.4811 3420.1050 6190.1202 299.3073 LDB: ============= START OF LOAD BALANCING ============== 9331.88 LDB: ============== END OF LOAD BALANCING =============== 9331.88 LDB: =============== DONE WITH MIGRATION ================ 9331.88 LDB: ============= START OF LOAD BALANCING ============== 9332.27 LDB: ============== END OF LOAD BALANCING =============== 9332.27 LDB: =============== DONE WITH MIGRATION ================ 9332.27 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: 9329.96, 0.0039211/step Wall: 9329.96, 0.0039211/step, 0.191263 hours remaining, 115.902344 MB of memory in use. ENERGY: 2324400 610.4064 1810.1791 1957.8051 110.3461 1.5905 -1028.1637 0.0000 0.0000 2700.9979 6163.1614 298.3327 3462.1635 6197.5194 297.4663 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: 9330.74, 0.00391075/step Wall: 9330.74, 0.00391075/step, 0.19054 hours remaining, 115.902344 MB of memory in use. ENERGY: 2324600 637.6026 1851.0687 1954.6049 99.7407 1.7194 -1083.8631 0.0000 0.0000 2663.4126 6124.2858 294.1813 3460.8732 6154.1252 297.2409 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: 9331.53, 0.00391522/step Wall: 9331.53, 0.00391522/step, 0.190541 hours remaining, 115.902344 MB of memory in use. ENERGY: 2324800 645.2714 1813.1829 1955.8557 107.7229 1.6970 -1095.8064 0.0000 0.0000 2682.4968 6110.4204 296.2892 3427.9236 6141.0144 296.7300 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: 9332.31, 0.00391536/step Wall: 9332.31, 0.00391536/step, 0.19033 hours remaining, 115.902344 MB of memory in use. ENERGY: 2325000 607.0758 1828.7435 1974.7363 108.1687 2.3350 -1129.2739 0.0000 0.0000 2676.3682 6068.1537 295.6123 3391.7854 6102.3517 293.4595 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: 9333.09, 0.00391351/step Wall: 9333.09, 0.00391351/step, 0.190022 hours remaining, 115.902344 MB of memory in use. ENERGY: 2325200 639.4250 1880.8302 1963.0567 99.3065 1.2004 -1110.3186 0.0000 0.0000 2657.9877 6131.4879 293.5821 3473.5002 6162.8285 294.5380 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: 9333.87, 0.00390931/step Wall: 9333.87, 0.00390931/step, 0.189601 hours remaining, 115.902344 MB of memory in use. ENERGY: 2325400 682.5072 1868.2881 1964.4818 102.1346 0.7859 -1066.8209 0.0000 0.0000 2632.8236 6184.2005 290.8027 3551.3769 6215.1941 296.8263 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: 9334.66, 0.00391544/step Wall: 9334.66, 0.00391544/step, 0.189681 hours remaining, 115.902344 MB of memory in use. ENERGY: 2325600 649.4626 1851.8539 1953.2653 99.1348 2.3290 -1052.7125 0.0000 0.0000 2691.3411 6194.6740 297.2661 3503.3330 6227.8262 297.8447 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: 9335.44, 0.00391369/step Wall: 9335.44, 0.00391369/step, 0.189379 hours remaining, 115.902344 MB of memory in use. ENERGY: 2325800 615.0310 1837.9627 1967.7495 105.6424 0.6910 -1077.5008 0.0000 0.0000 2765.5547 6215.1306 305.4632 3449.5759 6248.4418 299.1740 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: 9336.22, 0.00391312/step Wall: 9336.22, 0.00391312/step, 0.189134 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2326000 689.0076 1825.9498 1961.0268 127.8165 1.4526 -1073.8321 0.0000 0.0000 2693.4795 6224.9007 297.5023 3531.4212 6255.8601 301.7430 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: 9337.01, 0.00391406/step Wall: 9337.01, 0.00391406/step, 0.188962 hours remaining, 115.902344 MB of memory in use. ENERGY: 2326200 681.8471 1834.4058 1959.3687 123.8361 0.8312 -1088.4775 0.0000 0.0000 2764.3316 6276.1429 305.3281 3511.8113 6312.3638 303.1231 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: 9337.79, 0.00390982/step Wall: 9337.79, 0.00390982/step, 0.18854 hours remaining, 115.902344 MB of memory in use. ENERGY: 2326400 665.7709 1933.1915 1969.4531 104.7780 1.4790 -1077.3545 0.0000 0.0000 2639.1321 6236.4501 291.4995 3597.3180 6264.0814 301.3967 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: 9338.57, 0.00391565/step Wall: 9338.57, 0.00391565/step, 0.188604 hours remaining, 115.902344 MB of memory in use. ENERGY: 2326600 633.8815 1877.8951 1975.2969 108.1620 1.2328 -1021.7725 0.0000 0.0000 2704.8301 6279.5258 298.7560 3574.6958 6310.3000 301.2224 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: 9339.35, 0.00391437/step Wall: 9339.35, 0.00391437/step, 0.188324 hours remaining, 115.902344 MB of memory in use. ENERGY: 2326800 632.6731 1855.8791 1992.9109 112.6787 0.7152 -1067.8187 0.0000 0.0000 2728.7620 6255.8003 301.3994 3527.0383 6290.8614 302.0009 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: 9340.14, 0.00391458/step Wall: 9340.14, 0.00391458/step, 0.188117 hours remaining, 115.902344 MB of memory in use. ENERGY: 2327000 663.1732 1904.7180 1975.6754 101.7502 0.7104 -1072.2437 0.0000 0.0000 2701.8557 6275.6391 298.4275 3573.7834 6307.2332 302.1324 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: 9340.92, 0.00391527/step Wall: 9340.92, 0.00391527/step, 0.187933 hours remaining, 115.902344 MB of memory in use. ENERGY: 2327200 621.0250 1886.9750 1955.9195 126.2505 2.1912 -1031.7439 0.0000 0.0000 2722.7678 6283.3851 300.7373 3560.6173 6316.2854 301.0866 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: 9341.7, 0.00390875/step Wall: 9341.7, 0.00390875/step, 0.187403 hours remaining, 115.902344 MB of memory in use. ENERGY: 2327400 656.9880 1826.9336 1996.9158 111.6143 1.1949 -1051.2731 0.0000 0.0000 2747.4464 6289.8200 303.4631 3542.3735 6323.4265 303.9320 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: 9342.48, 0.00391557/step Wall: 9342.48, 0.00391557/step, 0.187512 hours remaining, 115.902344 MB of memory in use. ENERGY: 2327600 675.7984 1910.6429 1968.0979 100.9781 2.4966 -1107.8581 0.0000 0.0000 2712.2258 6262.3815 299.5729 3550.1558 6297.6419 303.3814 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: 9343.27, 0.00391572/step Wall: 9343.27, 0.00391572/step, 0.187302 hours remaining, 115.902344 MB of memory in use. ENERGY: 2327800 639.2562 1915.3999 1951.6171 111.4524 1.4401 -1072.6666 0.0000 0.0000 2763.4444 6309.9434 305.2301 3546.4990 6341.8370 303.0073 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: 9344.05, 0.00391553/step Wall: 9344.05, 0.00391553/step, 0.187075 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2328000 683.9734 1869.5060 1983.0528 112.2020 1.3452 -1096.3235 0.0000 0.0000 2760.7622 6314.5182 304.9339 3553.7560 6348.9549 305.0160 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: 9344.83, 0.00391166/step Wall: 9344.83, 0.00391166/step, 0.186673 hours remaining, 115.902344 MB of memory in use. ENERGY: 2328200 665.6949 1838.6822 1953.8649 93.9056 1.3140 -1097.7910 0.0000 0.0000 2787.0633 6242.7338 307.8389 3455.6706 6276.7483 303.4489 LDB: ============= START OF LOAD BALANCING ============== 9347.53 LDB: ============== END OF LOAD BALANCING =============== 9347.53 LDB: =============== DONE WITH MIGRATION ================ 9347.53 LDB: ============= START OF LOAD BALANCING ============== 9347.93 LDB: ============== END OF LOAD BALANCING =============== 9347.93 LDB: =============== DONE WITH MIGRATION ================ 9347.93 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: 9345.62, 0.00391985/step Wall: 9345.62, 0.00391985/step, 0.186846 hours remaining, 115.902344 MB of memory in use. ENERGY: 2328400 636.0668 1899.0399 1951.5113 110.2225 1.6393 -1076.8614 0.0000 0.0000 2663.5547 6185.1731 294.1970 3521.6184 6218.0705 300.5651 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: 9346.4, 0.00391503/step Wall: 9346.4, 0.00391503/step, 0.186399 hours remaining, 115.902344 MB of memory in use. ENERGY: 2328600 640.1077 1863.2520 1952.7006 111.3338 2.9875 -1128.2395 0.0000 0.0000 2712.7872 6154.9293 299.6349 3442.1421 6190.3892 299.9904 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: 9347.18, 0.00391443/step Wall: 9347.18, 0.00391443/step, 0.186153 hours remaining, 115.902344 MB of memory in use. ENERGY: 2328800 656.8935 1804.8480 1979.1202 105.3955 1.4963 -1105.2551 0.0000 0.0000 2745.5793 6188.0778 303.2569 3442.4984 6223.9774 299.7931 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: 9347.97, 0.00391526/step Wall: 9347.97, 0.00391526/step, 0.185975 hours remaining, 115.902344 MB of memory in use. ENERGY: 2329000 656.5354 1841.2665 1918.4236 106.2897 1.3603 -1077.8044 0.0000 0.0000 2740.3706 6186.4417 302.6816 3446.0711 6218.9699 299.1222 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: 9348.75, 0.00390967/step Wall: 9348.75, 0.00390967/step, 0.185492 hours remaining, 115.902344 MB of memory in use. ENERGY: 2329200 626.3783 1878.4504 1956.1189 97.4856 0.7952 -1105.3808 0.0000 0.0000 2768.7572 6222.6048 305.8169 3453.8475 6256.8833 302.0746 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: 9349.53, 0.00391572/step Wall: 9349.53, 0.00391572/step, 0.185562 hours remaining, 115.902344 MB of memory in use. ENERGY: 2329400 680.2252 1826.9596 1956.9028 116.0971 0.3372 -1067.7197 0.0000 0.0000 2712.7536 6225.5559 299.6312 3512.8023 6257.3638 300.5020 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: 9350.31, 0.0039175/step Wall: 9350.31, 0.0039175/step, 0.185429 hours remaining, 115.902344 MB of memory in use. ENERGY: 2329600 667.1379 1913.6219 1942.4307 114.5587 2.3065 -1077.5340 0.0000 0.0000 2671.9544 6234.4761 295.1248 3562.5217 6264.6365 301.4774 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: 9351.1, 0.00391576/step Wall: 9351.1, 0.00391576/step, 0.185128 hours remaining, 115.902344 MB of memory in use. ENERGY: 2329800 630.8907 1843.2655 1935.4892 106.6008 1.8946 -1062.0507 0.0000 0.0000 2821.6963 6277.7864 311.6642 3456.0901 6315.0900 302.2607 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: 9351.88, 0.00391057/step Wall: 9351.88, 0.00391057/step, 0.184666 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2330000 648.4776 1826.6949 1971.6800 108.0810 0.9479 -1092.5426 0.0000 0.0000 2762.6976 6226.0364 305.1476 3463.3388 6262.3063 302.4670 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2330000 WRITING COORDINATES TO DCD FILE MD.1.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: 9353.89, 0.0100289/step Wall: 9353.89, 0.0100289/step, 0.473032 hours remaining, 115.902344 MB of memory in use. ENERGY: 2330200 672.1778 1844.3093 1970.5412 107.1230 1.7580 -1110.9905 0.0000 0.0000 2740.5631 6225.4819 302.7028 3484.9188 6256.5753 302.6015 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: 9354.67, 0.00391714/step Wall: 9354.67, 0.00391714/step, 0.184541 hours remaining, 115.902344 MB of memory in use. ENERGY: 2330400 615.3954 1890.8527 1942.5832 105.5404 2.0344 -1088.2209 0.0000 0.0000 2669.0975 6137.2826 294.8093 3468.1851 6170.6928 298.8797 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: 9355.45, 0.00391557/step Wall: 9355.45, 0.00391557/step, 0.184249 hours remaining, 115.902344 MB of memory in use. ENERGY: 2330600 649.7113 1839.8102 1956.9729 104.7571 1.3682 -1077.9039 0.0000 0.0000 2683.2995 6158.0152 296.3779 3474.7157 6192.2075 297.1452 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: 9356.24, 0.00391564/step Wall: 9356.24, 0.00391564/step, 0.184035 hours remaining, 115.902344 MB of memory in use. ENERGY: 2330800 702.1471 1835.9793 1950.9054 100.4815 2.2227 -1060.5917 0.0000 0.0000 2664.3601 6195.5043 294.2860 3531.1442 6225.9968 297.6748 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: 9357.02, 0.00391552/step Wall: 9357.02, 0.00391552/step, 0.183812 hours remaining, 115.902344 MB of memory in use. ENERGY: 2331000 691.2326 1828.0994 1949.0793 112.2597 3.1688 -1065.9063 0.0000 0.0000 2700.5980 6218.5314 298.2886 3517.9334 6249.4149 298.0979 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: 9357.8, 0.00390855/step Wall: 9357.8, 0.00390855/step, 0.183268 hours remaining, 115.902344 MB of memory in use. ENERGY: 2331200 674.3453 1811.7448 1922.2492 114.8673 1.7784 -1048.5352 0.0000 0.0000 2691.4363 6167.8860 297.2766 3476.4498 6199.7189 298.3869 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: 9358.58, 0.00392064/step Wall: 9358.58, 0.00392064/step, 0.183617 hours remaining, 115.902344 MB of memory in use. ENERGY: 2331400 663.6093 1862.7779 1959.7582 108.0007 2.3892 -1067.7026 0.0000 0.0000 2679.1616 6207.9943 295.9209 3528.8327 6238.8653 298.7572 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: 9359.37, 0.00391279/step Wall: 9359.37, 0.00391279/step, 0.183032 hours remaining, 115.902344 MB of memory in use. ENERGY: 2331600 648.2619 1860.5494 1941.7719 109.6241 2.9144 -1091.2837 0.0000 0.0000 2741.2864 6213.1243 302.7827 3471.8379 6248.3917 298.5748 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: 9360.15, 0.00391275/step Wall: 9360.15, 0.00391275/step, 0.182813 hours remaining, 115.902344 MB of memory in use. ENERGY: 2331800 623.7912 1856.7843 1977.3522 113.8940 2.5290 -1047.3046 0.0000 0.0000 2742.4035 6269.4497 302.9061 3527.0462 6302.8695 300.9544 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: 9360.93, 0.00390994/step Wall: 9360.93, 0.00390994/step, 0.182464 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2332000 634.4066 1841.2621 1961.9407 106.7141 2.3213 -1030.1975 0.0000 0.0000 2734.5885 6251.0359 302.0429 3516.4473 6284.1255 302.8269 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: 9361.71, 0.00391277/step Wall: 9361.71, 0.00391277/step, 0.182379 hours remaining, 115.902344 MB of memory in use. ENERGY: 2332200 655.3478 1827.2772 1969.5550 106.4207 3.6039 -1024.0288 0.0000 0.0000 2684.3122 6222.4880 296.4898 3538.1758 6254.7524 298.4312 LDB: ============= START OF LOAD BALANCING ============== 9364.41 LDB: ============== END OF LOAD BALANCING =============== 9364.41 LDB: =============== DONE WITH MIGRATION ================ 9364.41 LDB: ============= START OF LOAD BALANCING ============== 9364.81 LDB: ============== END OF LOAD BALANCING =============== 9364.81 LDB: =============== DONE WITH MIGRATION ================ 9364.81 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: 9362.5, 0.00391779/step Wall: 9362.5, 0.00391779/step, 0.182395 hours remaining, 115.902344 MB of memory in use. ENERGY: 2332400 645.4750 1837.1276 1959.9136 111.1493 3.4185 -1060.3669 0.0000 0.0000 2666.3156 6163.0326 294.5020 3496.7170 6194.3425 297.5647 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: 9363.28, 0.00391284/step Wall: 9363.28, 0.00391284/step, 0.181947 hours remaining, 115.902344 MB of memory in use. ENERGY: 2332600 617.3206 1854.5388 1947.8987 100.8171 2.0357 -1063.3243 0.0000 0.0000 2712.7505 6172.0370 299.6309 3459.2864 6204.5351 298.1327 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: 9364.06, 0.00391353/step Wall: 9364.06, 0.00391353/step, 0.181762 hours remaining, 115.902344 MB of memory in use. ENERGY: 2332800 682.2699 1867.1136 1943.4180 117.1590 2.3299 -1105.0219 0.0000 0.0000 2701.0102 6208.2789 298.3341 3507.2687 6239.5489 299.5167 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: 9364.84, 0.00391147/step Wall: 9364.84, 0.00391147/step, 0.181449 hours remaining, 115.902344 MB of memory in use. ENERGY: 2333000 650.8730 1859.9069 1938.8504 125.2283 2.6451 -1078.1995 0.0000 0.0000 2719.7204 6219.0246 300.4007 3499.3041 6249.3609 299.1821 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: 9365.63, 0.00391417/step Wall: 9365.63, 0.00391417/step, 0.181357 hours remaining, 115.902344 MB of memory in use. ENERGY: 2333200 633.4113 1896.0841 1960.8861 106.1086 3.5580 -1054.7832 0.0000 0.0000 2713.4283 6258.6932 299.7057 3545.2649 6292.3619 299.9293 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: 9366.41, 0.00391551/step Wall: 9366.41, 0.00391551/step, 0.181201 hours remaining, 115.902344 MB of memory in use. ENERGY: 2333400 651.4690 1855.0121 1967.6807 111.4719 3.9956 -1083.7208 0.0000 0.0000 2699.0062 6204.9146 298.1127 3505.9084 6237.9401 301.2596 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: 9367.19, 0.0039165/step Wall: 9367.19, 0.0039165/step, 0.181029 hours remaining, 115.902344 MB of memory in use. ENERGY: 2333600 661.7608 1840.9690 1953.7813 103.4682 3.2699 -1086.8086 0.0000 0.0000 2705.9432 6182.3837 298.8790 3476.4405 6215.4526 298.0912 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: 9367.98, 0.00391473/step Wall: 9367.98, 0.00391473/step, 0.18073 hours remaining, 115.902344 MB of memory in use. ENERGY: 2333800 654.6356 1818.2909 1960.9622 99.0494 3.1007 -1071.9587 0.0000 0.0000 2765.8076 6229.8877 305.4912 3464.0801 6267.1725 298.5195 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: 9368.76, 0.00390976/step Wall: 9368.76, 0.00390976/step, 0.180283 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2334000 686.6487 1824.7199 1980.8318 108.6230 3.4067 -1081.8716 0.0000 0.0000 2722.7029 6245.0614 300.7301 3522.3585 6280.4144 299.9806 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: 9369.54, 0.00391408/step Wall: 9369.54, 0.00391408/step, 0.180265 hours remaining, 115.902344 MB of memory in use. ENERGY: 2334200 695.1994 1827.7151 1938.6998 119.6831 3.4791 -1081.7379 0.0000 0.0000 2728.8529 6231.8914 301.4094 3503.0386 6263.6061 299.8155 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: 9370.32, 0.00391559/step Wall: 9370.32, 0.00391559/step, 0.180117 hours remaining, 115.902344 MB of memory in use. ENERGY: 2334400 674.7083 1825.4116 1960.5103 117.0676 0.8831 -1089.5606 0.0000 0.0000 2696.5977 6185.6181 297.8467 3489.0204 6214.5670 299.3070 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: 9371.11, 0.00393166/step Wall: 9371.11, 0.00393166/step, 0.180638 hours remaining, 115.902344 MB of memory in use. ENERGY: 2334600 662.8494 1855.3451 1968.1530 119.2953 1.9555 -1136.0474 0.0000 0.0000 2696.4620 6168.0130 297.8317 3471.5510 6199.7572 298.6366 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: 9371.89, 0.00391502/step Wall: 9371.89, 0.00391502/step, 0.179656 hours remaining, 115.902344 MB of memory in use. ENERGY: 2334800 646.0815 1874.1647 1958.7739 96.5486 1.9743 -1122.0894 0.0000 0.0000 2701.1589 6156.6125 298.3505 3455.4536 6191.6660 298.9456 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: 9372.68, 0.00391752/step Wall: 9372.68, 0.00391752/step, 0.179553 hours remaining, 115.902344 MB of memory in use. ENERGY: 2335000 645.6889 1840.6309 1926.4960 110.1797 1.2184 -1086.9579 0.0000 0.0000 2729.3446 6166.6006 301.4637 3437.2561 6199.5953 297.0569 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: 9373.46, 0.00391617/step Wall: 9373.46, 0.00391617/step, 0.179274 hours remaining, 115.902344 MB of memory in use. ENERGY: 2335200 648.6361 1824.2628 1933.9607 113.3544 1.4109 -1072.1229 0.0000 0.0000 2694.8946 6144.3966 297.6586 3449.5020 6180.4705 299.1725 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: 9374.24, 0.00391556/step Wall: 9374.24, 0.00391556/step, 0.179028 hours remaining, 115.902344 MB of memory in use. ENERGY: 2335400 654.4318 1839.1808 1942.9596 109.7047 1.0334 -1130.5766 0.0000 0.0000 2716.5774 6133.3112 300.0535 3416.7338 6165.8877 297.3455 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: 9375.03, 0.00391651/step Wall: 9375.03, 0.00391651/step, 0.178854 hours remaining, 115.902344 MB of memory in use. ENERGY: 2335600 634.3000 1844.1815 1944.9518 97.1401 1.8209 -1073.4770 0.0000 0.0000 2690.6308 6139.5481 297.1877 3448.9173 6171.7593 297.6966 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: 9375.81, 0.00391054/step Wall: 9375.81, 0.00391054/step, 0.178364 hours remaining, 115.902344 MB of memory in use. ENERGY: 2335800 645.5403 1864.2859 1933.6417 101.5992 2.5947 -1112.5949 0.0000 0.0000 2681.7676 6116.8346 296.2087 3435.0670 6148.3465 296.1357 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: 9376.59, 0.00391541/step Wall: 9376.59, 0.00391541/step, 0.178369 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2336000 669.1153 1837.1590 1921.7908 103.9381 2.9662 -1100.3411 0.0000 0.0000 2705.4681 6140.0964 298.8265 3434.6283 6172.4218 296.5356 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: 9377.38, 0.00391474/step Wall: 9377.38, 0.00391474/step, 0.178121 hours remaining, 115.902344 MB of memory in use. ENERGY: 2336200 654.9368 1825.9491 1952.0884 104.8656 2.4862 -1082.1761 0.0000 0.0000 2685.1212 6143.2713 296.5791 3458.1501 6176.0288 296.2395 LDB: ============= START OF LOAD BALANCING ============== 9380.08 LDB: ============== END OF LOAD BALANCING =============== 9380.08 LDB: =============== DONE WITH MIGRATION ================ 9380.08 LDB: ============= START OF LOAD BALANCING ============== 9380.47 LDB: ============== END OF LOAD BALANCING =============== 9380.47 LDB: =============== DONE WITH MIGRATION ================ 9380.47 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: 9378.16, 0.00391774/step Wall: 9378.16, 0.00391773/step, 0.178039 hours remaining, 115.902344 MB of memory in use. ENERGY: 2336400 647.9136 1809.0698 1939.0860 99.4887 3.7376 -1030.0206 0.0000 0.0000 2689.4002 6158.6753 297.0517 3469.2751 6193.7249 296.1549 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: 9378.94, 0.00390827/step Wall: 9378.94, 0.00390828/step, 0.177392 hours remaining, 115.902344 MB of memory in use. ENERGY: 2336600 641.2174 1863.1366 1934.5581 110.3116 3.6037 -1096.3688 0.0000 0.0000 2734.9689 6191.4275 302.0849 3456.4586 6225.1275 298.2009 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: 9379.72, 0.0039145/step Wall: 9379.72, 0.0039145/step, 0.177457 hours remaining, 115.902344 MB of memory in use. ENERGY: 2336800 635.7835 1851.8549 1944.7593 104.1044 3.0557 -1063.6641 0.0000 0.0000 2756.8956 6232.7892 304.5068 3475.8936 6266.6860 300.7477 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: 9380.51, 0.00391351/step Wall: 9380.51, 0.00391351/step, 0.177195 hours remaining, 115.902344 MB of memory in use. ENERGY: 2337000 707.2551 1851.3539 1930.0781 99.9912 2.4791 -1117.6638 0.0000 0.0000 2706.8126 6180.3062 298.9750 3473.4936 6215.5088 300.0333 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: 9381.29, 0.00391129/step Wall: 9381.29, 0.00391129/step, 0.176877 hours remaining, 115.902344 MB of memory in use. ENERGY: 2337200 668.4554 1836.3613 1955.1400 105.5380 2.4961 -1084.4534 0.0000 0.0000 2687.2414 6170.7788 296.8133 3483.5374 6203.8979 299.6797 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: 9382.07, 0.00391113/step Wall: 9382.07, 0.00391113/step, 0.176653 hours remaining, 115.902344 MB of memory in use. ENERGY: 2337400 681.3053 1853.0020 1939.6824 103.7407 4.2293 -1095.2234 0.0000 0.0000 2733.7148 6220.4511 301.9464 3486.7363 6254.0392 299.6513 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: 9382.85, 0.00390804/step Wall: 9382.85, 0.00390804/step, 0.176296 hours remaining, 115.902344 MB of memory in use. ENERGY: 2337600 643.0711 1931.0350 1910.8932 118.3876 2.0261 -1049.3859 0.0000 0.0000 2731.7805 6287.8077 301.7328 3556.0272 6318.7942 304.1477 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: 9383.64, 0.00391574/step Wall: 9383.64, 0.00391574/step, 0.176426 hours remaining, 115.902344 MB of memory in use. ENERGY: 2337800 680.5593 1919.6699 1941.6042 113.4654 2.6003 -1065.5702 0.0000 0.0000 2733.9148 6326.2437 301.9685 3592.3289 6358.2605 305.1602 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: 9384.42, 0.00391433/step Wall: 9384.42, 0.00391433/step, 0.176145 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2338000 656.1880 1862.0931 1961.1821 125.1759 4.9376 -1071.7813 0.0000 0.0000 2770.4134 6308.2087 305.9999 3537.7953 6342.8034 303.7823 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: 9385.2, 0.00391261/step Wall: 9385.2, 0.00391261/step, 0.17585 hours remaining, 115.902344 MB of memory in use. ENERGY: 2338200 662.6313 1910.1510 1959.5522 109.5568 2.3011 -1079.5893 0.0000 0.0000 2736.4447 6301.0477 302.2479 3564.6031 6329.9197 304.6519 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: 9385.98, 0.00390864/step Wall: 9385.98, 0.00390864/step, 0.175454 hours remaining, 115.902344 MB of memory in use. ENERGY: 2338400 622.2365 1916.9909 1941.5653 107.2336 3.9623 -1068.3662 0.0000 0.0000 2710.5993 6234.2218 299.3932 3523.6225 6266.0887 302.6101 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: 9386.77, 0.00391422/step Wall: 9386.77, 0.00391422/step, 0.175487 hours remaining, 115.902344 MB of memory in use. ENERGY: 2338600 637.8986 1886.6808 1952.8292 109.3019 3.8057 -1068.7080 0.0000 0.0000 2743.3326 6265.1409 303.0087 3521.8083 6298.5962 302.1435 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: 9387.55, 0.003914/step Wall: 9387.55, 0.003914/step, 0.17526 hours remaining, 115.902344 MB of memory in use. ENERGY: 2338800 634.5912 1847.8555 1960.1356 112.4026 2.0510 -1098.1498 0.0000 0.0000 2723.8987 6182.7848 300.8622 3458.8861 6218.0169 300.7876 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: 9388.33, 0.00391441/step Wall: 9388.33, 0.00391441/step, 0.175061 hours remaining, 115.902344 MB of memory in use. ENERGY: 2339000 646.2436 1844.3891 1976.2790 107.5848 2.1121 -1094.9204 0.0000 0.0000 2720.0062 6201.6943 300.4323 3481.6881 6234.6506 299.3490 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: 9389.11, 0.00391176/step Wall: 9389.11, 0.00391176/step, 0.174725 hours remaining, 115.902344 MB of memory in use. ENERGY: 2339200 648.0343 1853.3457 1954.2632 113.6929 1.0873 -1091.5630 0.0000 0.0000 2720.2054 6199.0658 300.4543 3478.8604 6231.0841 301.0514 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: 9389.9, 0.00390898/step Wall: 9389.9, 0.00390897/step, 0.174383 hours remaining, 115.902344 MB of memory in use. ENERGY: 2339400 672.4472 1853.3048 1959.3954 99.4037 2.2459 -1126.8436 0.0000 0.0000 2750.7050 6210.6585 303.8230 3459.9535 6246.4038 302.3936 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: 9390.68, 0.00391484/step Wall: 9390.68, 0.00391484/step, 0.174428 hours remaining, 115.902344 MB of memory in use. ENERGY: 2339600 668.8407 1848.8255 1960.0532 120.8062 3.2270 -1096.1047 0.0000 0.0000 2699.2011 6204.8490 298.1343 3505.6479 6238.1102 299.5718 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: 9391.46, 0.00391533/step Wall: 9391.46, 0.00391533/step, 0.174232 hours remaining, 115.902344 MB of memory in use. ENERGY: 2339800 669.5437 1859.9214 1947.5926 116.0284 3.2994 -1065.8315 0.0000 0.0000 2672.4854 6203.0395 295.1835 3530.5541 6232.1944 300.1676 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: 9392.24, 0.00391257/step Wall: 9392.24, 0.00391257/step, 0.173892 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2340000 633.6749 1866.7019 1926.0455 112.9206 3.3802 -1093.0186 0.0000 0.0000 2710.5614 6160.2660 299.3891 3449.7045 6191.6604 298.4921 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2340000 WRITING COORDINATES TO DCD FILE MD.1.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: 9393.59, 0.00670906/step Wall: 9393.59, 0.00670906/step, 0.297808 hours remaining, 115.902344 MB of memory in use. ENERGY: 2340200 639.1166 1844.4720 1918.7243 112.2981 1.8397 -1060.2511 0.0000 0.0000 2687.0527 6143.2523 296.7925 3456.1996 6176.4584 298.4418 LDB: ============= START OF LOAD BALANCING ============== 9396.29 LDB: ============== END OF LOAD BALANCING =============== 9396.29 LDB: =============== DONE WITH MIGRATION ================ 9396.29 LDB: ============= START OF LOAD BALANCING ============== 9396.68 LDB: ============== END OF LOAD BALANCING =============== 9396.68 LDB: =============== DONE WITH MIGRATION ================ 9396.68 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: 9394.37, 0.00391749/step Wall: 9394.37, 0.00391749/step, 0.173675 hours remaining, 115.902344 MB of memory in use. ENERGY: 2340400 631.4607 1844.1916 1910.1852 107.4926 3.0171 -1081.9103 0.0000 0.0000 2757.7536 6172.1905 304.6016 3414.4369 6208.1633 298.3156 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: 9395.15, 0.00391278/step Wall: 9395.15, 0.00391278/step, 0.173249 hours remaining, 115.902344 MB of memory in use. ENERGY: 2340600 644.5194 1817.3780 1967.5663 106.5080 3.5529 -1097.2045 0.0000 0.0000 2731.5035 6173.8235 301.7022 3442.3200 6207.4800 299.9547 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: 9395.93, 0.00391023/step Wall: 9395.93, 0.00391023/step, 0.172919 hours remaining, 115.902344 MB of memory in use. ENERGY: 2340800 669.9610 1835.3827 1959.0322 122.1994 2.4548 -1087.3461 0.0000 0.0000 2685.0938 6186.7778 296.5761 3501.6840 6218.1993 299.4989 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: 9396.72, 0.00391408/step Wall: 9396.72, 0.00391407/step, 0.172872 hours remaining, 115.902344 MB of memory in use. ENERGY: 2341000 627.2263 1849.0012 1953.6357 100.8401 1.4834 -1091.7814 0.0000 0.0000 2706.2462 6146.6515 298.9124 3440.4053 6180.5197 298.2436 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: 9397.5, 0.00391255/step Wall: 9397.5, 0.00391255/step, 0.172587 hours remaining, 115.902344 MB of memory in use. ENERGY: 2341200 637.6890 1843.8942 1919.0843 101.1881 3.2312 -1079.4570 0.0000 0.0000 2727.1797 6152.8096 301.2246 3425.6299 6190.4088 296.4666 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: 9398.28, 0.00391849/step Wall: 9398.28, 0.00391849/step, 0.172631 hours remaining, 115.902344 MB of memory in use. ENERGY: 2341400 633.4882 1845.8504 1917.1152 103.6079 3.6291 -1100.9337 0.0000 0.0000 2716.3194 6119.0765 300.0250 3402.7571 6153.0250 297.3420 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: 9399.07, 0.00391162/step Wall: 9399.07, 0.00391162/step, 0.172111 hours remaining, 115.902344 MB of memory in use. ENERGY: 2341600 659.0412 1818.0081 1950.4574 105.6753 4.0863 -1105.4855 0.0000 0.0000 2736.0831 6167.8660 302.2080 3431.7828 6202.6908 296.6060 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: 9399.85, 0.00390931/step Wall: 9399.85, 0.00390931/step, 0.171792 hours remaining, 115.902344 MB of memory in use. ENERGY: 2341800 636.8563 1866.8056 1966.9787 110.1948 3.2506 -1102.4042 0.0000 0.0000 2699.2122 6180.8941 298.1355 3481.6820 6216.4647 298.6482 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: 9400.63, 0.0039116/step Wall: 9400.63, 0.0039116/step, 0.171676 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2342000 649.3934 1894.6584 1950.9251 101.9841 4.1172 -1080.5400 0.0000 0.0000 2732.6408 6253.1789 301.8278 3520.5382 6281.7871 301.2755 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: 9401.41, 0.00391145/step Wall: 9401.41, 0.00391145/step, 0.171452 hours remaining, 115.902344 MB of memory in use. ENERGY: 2342200 665.5638 1873.8901 1927.1205 113.0970 3.8759 -1084.7657 0.0000 0.0000 2786.2020 6284.9837 307.7438 3498.7816 6319.5163 302.5954 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: 9402.19, 0.00391136/step Wall: 9402.19, 0.00391136/step, 0.171231 hours remaining, 115.902344 MB of memory in use. ENERGY: 2342400 632.7949 1834.3222 1935.0261 110.4291 3.1894 -1056.0411 0.0000 0.0000 2794.7822 6254.5027 308.6915 3459.7206 6290.2252 303.1840 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: 9402.98, 0.00390797/step Wall: 9402.98, 0.00390797/step, 0.170865 hours remaining, 115.902344 MB of memory in use. ENERGY: 2342600 595.9285 1892.9429 1940.4553 110.6071 4.3311 -1102.5933 0.0000 0.0000 2744.0612 6185.7326 303.0892 3441.6715 6218.2781 303.1813 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: 9403.76, 0.003912/step Wall: 9403.76, 0.003912/step, 0.170824 hours remaining, 115.902344 MB of memory in use. ENERGY: 2342800 645.0049 1835.5149 1974.8097 114.8068 2.5592 -1065.8810 0.0000 0.0000 2689.2696 6196.0841 297.0373 3506.8145 6228.9221 300.6115 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: 9404.54, 0.00391227/step Wall: 9404.54, 0.00391228/step, 0.170619 hours remaining, 115.902344 MB of memory in use. ENERGY: 2343000 668.1966 1847.5948 1932.8230 105.1385 2.4873 -1068.0926 0.0000 0.0000 2724.3703 6212.5180 300.9143 3488.1477 6244.9592 300.4329 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: 9405.32, 0.0039124/step Wall: 9405.32, 0.0039124/step, 0.170407 hours remaining, 115.902344 MB of memory in use. ENERGY: 2343200 640.3021 1839.4563 1993.0661 107.9835 3.4394 -1063.4347 0.0000 0.0000 2718.4431 6239.2557 300.2596 3520.8126 6273.6465 301.2008 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: 9406.11, 0.00391272/step Wall: 9406.11, 0.00391272/step, 0.170203 hours remaining, 115.902344 MB of memory in use. ENERGY: 2343400 635.6625 1868.4881 1953.1753 113.2539 2.8753 -1080.6730 0.0000 0.0000 2762.5261 6255.3082 305.1287 3492.7820 6287.5589 302.5102 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: 9406.89, 0.00391027/step Wall: 9406.89, 0.00391027/step, 0.16988 hours remaining, 115.902344 MB of memory in use. ENERGY: 2343600 680.1844 1829.3265 1970.4359 99.8820 2.7007 -1102.0333 0.0000 0.0000 2705.1995 6185.6955 298.7968 3480.4961 6218.4061 302.0248 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: 9407.67, 0.00391344/step Wall: 9407.67, 0.00391344/step, 0.1698 hours remaining, 115.902344 MB of memory in use. ENERGY: 2343800 666.9603 1828.1956 1985.5197 104.7759 3.7777 -1080.6278 0.0000 0.0000 2681.2944 6189.8957 296.1564 3508.6014 6220.7344 299.4745 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: 9408.45, 0.00391382/step Wall: 9408.45, 0.00391382/step, 0.169599 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2344000 670.5995 1890.9181 1931.6244 114.9183 2.2389 -1100.3143 0.0000 0.0000 2680.7763 6190.7611 296.0992 3509.9848 6221.8131 300.5098 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: 9409.24, 0.00391357/step Wall: 9409.24, 0.00391356/step, 0.16937 hours remaining, 115.902344 MB of memory in use. ENERGY: 2344200 680.4813 1818.4438 1962.3721 104.1749 1.5290 -1089.4728 0.0000 0.0000 2745.7148 6223.2432 303.2719 3477.5283 6260.4404 299.9342 LDB: ============= START OF LOAD BALANCING ============== 9411.94 LDB: ============== END OF LOAD BALANCING =============== 9411.94 LDB: =============== DONE WITH MIGRATION ================ 9411.94 LDB: ============= START OF LOAD BALANCING ============== 9412.33 LDB: ============== END OF LOAD BALANCING =============== 9412.33 LDB: =============== DONE WITH MIGRATION ================ 9412.33 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: 9410.02, 0.00391493/step Wall: 9410.02, 0.00391494/step, 0.169212 hours remaining, 115.902344 MB of memory in use. ENERGY: 2344400 650.3668 1865.7201 1953.2363 106.6608 2.8030 -1088.1773 0.0000 0.0000 2713.8818 6204.4914 299.7558 3490.6097 6237.6263 299.7805 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: 9410.8, 0.0039129/step Wall: 9410.8, 0.0039129/step, 0.168907 hours remaining, 115.902344 MB of memory in use. ENERGY: 2344600 665.1265 1795.3998 1970.1644 91.8821 2.5980 -1080.0749 0.0000 0.0000 2738.4923 6183.5882 302.4741 3445.0959 6215.1136 298.9090 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: 9411.58, 0.00391276/step Wall: 9411.58, 0.00391276/step, 0.168683 hours remaining, 115.902344 MB of memory in use. ENERGY: 2344800 672.6344 1840.4494 1955.3411 105.9226 2.0279 -1098.1474 0.0000 0.0000 2683.7739 6162.0018 296.4303 3478.2279 6192.5572 298.3974 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: 9412.37, 0.00391325/step Wall: 9412.37, 0.00391325/step, 0.168487 hours remaining, 115.902344 MB of memory in use. ENERGY: 2345000 639.3058 1856.9238 1971.7672 116.5955 2.9479 -1093.8695 0.0000 0.0000 2699.9053 6193.5759 298.2121 3493.6706 6227.3720 298.2632 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: 9413.15, 0.00391332/step Wall: 9413.15, 0.00391332/step, 0.168273 hours remaining, 115.902344 MB of memory in use. ENERGY: 2345200 666.1185 1849.3960 1931.1484 113.2938 2.0471 -1119.9325 0.0000 0.0000 2719.5072 6161.5783 300.3771 3442.0712 6195.8263 297.3778 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: 9413.93, 0.00390949/step Wall: 9413.93, 0.00390949/step, 0.167891 hours remaining, 115.902344 MB of memory in use. ENERGY: 2345400 654.6444 1867.6302 1955.8123 111.7625 0.4107 -1106.3747 0.0000 0.0000 2707.5730 6191.4584 299.0590 3483.8854 6225.6217 298.2493 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: 9414.71, 0.00391273/step Wall: 9414.71, 0.00391273/step, 0.167813 hours remaining, 115.902344 MB of memory in use. ENERGY: 2345600 683.2588 1832.1832 1990.4263 116.9089 2.8253 -1089.9519 0.0000 0.0000 2672.5191 6208.1696 295.1872 3535.6505 6239.6602 299.8927 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: 9415.5, 0.00391446/step Wall: 9415.5, 0.00391446/step, 0.16767 hours remaining, 115.902344 MB of memory in use. ENERGY: 2345800 648.4152 1835.1763 1953.1433 110.8118 4.3397 -1065.2797 0.0000 0.0000 2694.0831 6180.6897 297.5690 3486.6065 6217.4273 299.0539 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: 9416.28, 0.00391116/step Wall: 9416.28, 0.00391116/step, 0.167311 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2346000 636.4587 1851.0897 1968.9999 107.6098 3.1691 -1092.1591 0.0000 0.0000 2719.2460 6194.4141 300.3483 3475.1681 6231.8228 298.3256 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: 9417.06, 0.00391129/step Wall: 9417.06, 0.00391129/step, 0.167099 hours remaining, 115.902344 MB of memory in use. ENERGY: 2346200 656.1219 1850.4426 1946.6351 106.3307 3.6443 -1070.5961 0.0000 0.0000 2679.1261 6171.7047 295.9169 3492.5785 6205.8031 299.2655 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: 9417.84, 0.00390943/step Wall: 9417.84, 0.00390943/step, 0.166803 hours remaining, 115.902344 MB of memory in use. ENERGY: 2346400 642.7035 1832.8431 1967.6333 117.4661 2.3770 -1104.9772 0.0000 0.0000 2749.3470 6207.3928 303.6730 3458.0458 6242.9446 300.7242 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: 9418.63, 0.00391153/step Wall: 9418.63, 0.00391153/step, 0.166674 hours remaining, 115.902344 MB of memory in use. ENERGY: 2346600 655.7500 1872.2571 1940.7908 122.4365 2.8455 -1098.4414 0.0000 0.0000 2660.1836 6155.8220 293.8247 3495.6384 6183.2155 298.3619 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: 9419.41, 0.00391036/step Wall: 9419.41, 0.00391036/step, 0.166408 hours remaining, 115.902344 MB of memory in use. ENERGY: 2346800 656.6063 1844.7389 1941.0776 98.9810 2.8187 -1062.6340 0.0000 0.0000 2688.9373 6170.5257 297.0006 3481.5884 6204.7716 297.4235 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: 9420.19, 0.00391101/step Wall: 9420.19, 0.00391101/step, 0.166218 hours remaining, 115.902344 MB of memory in use. ENERGY: 2347000 644.8504 1834.3731 1942.1196 102.4877 2.1711 -1065.9551 0.0000 0.0000 2693.1670 6153.2139 297.4678 3460.0469 6183.8861 296.7721 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: 9420.97, 0.00390916/step Wall: 9420.97, 0.00390916/step, 0.165922 hours remaining, 115.902344 MB of memory in use. ENERGY: 2347200 589.1420 1851.5681 1950.5884 98.3502 3.2380 -1037.8231 0.0000 0.0000 2641.0540 6096.1176 291.7118 3455.0637 6128.8298 294.9365 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: 9421.75, 0.00391156/step Wall: 9421.75, 0.00391156/step, 0.165807 hours remaining, 115.902344 MB of memory in use. ENERGY: 2347400 630.5440 1834.0422 1942.2107 90.9293 4.0245 -1044.5460 0.0000 0.0000 2648.5626 6105.7674 292.5411 3457.2048 6136.7202 294.9415 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: 9422.54, 0.00391305/step Wall: 9422.54, 0.00391305/step, 0.165652 hours remaining, 115.902344 MB of memory in use. ENERGY: 2347600 633.0208 1845.4276 1983.2142 100.5923 2.7258 -1114.4838 0.0000 0.0000 2654.8503 6105.3471 293.2356 3450.4968 6135.0310 293.6644 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: 9423.79, 0.00624897/step Wall: 9423.79, 0.00624897/step, 0.264192 hours remaining, 115.902344 MB of memory in use. ENERGY: 2347800 632.1678 1830.3343 1982.3865 106.2948 3.0835 -1104.4367 0.0000 0.0000 2682.1407 6131.9709 296.2499 3449.8302 6163.6757 294.5236 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: 9424.58, 0.00395273/step Wall: 9424.58, 0.00395273/step, 0.166893 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2348000 626.3705 1824.9266 1962.5279 106.5394 3.2402 -1083.7239 0.0000 0.0000 2682.5027 6122.3834 296.2899 3439.8807 6153.1918 296.1308 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: 9425.36, 0.00391569/step Wall: 9425.36, 0.00391569/step, 0.165112 hours remaining, 115.902344 MB of memory in use. ENERGY: 2348200 655.6989 1801.5385 1970.1648 109.8121 3.1694 -1095.1289 0.0000 0.0000 2710.1540 6155.4087 299.3441 3445.2548 6185.9482 297.4484 LDB: ============= START OF LOAD BALANCING ============== 9428.06 LDB: ============== END OF LOAD BALANCING =============== 9428.06 LDB: =============== DONE WITH MIGRATION ================ 9428.06 LDB: ============= START OF LOAD BALANCING ============== 9428.45 LDB: ============== END OF LOAD BALANCING =============== 9428.45 LDB: =============== DONE WITH MIGRATION ================ 9428.45 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: 9426.14, 0.00391997/step Wall: 9426.14, 0.00391997/step, 0.165074 hours remaining, 115.902344 MB of memory in use. ENERGY: 2348400 643.3416 1869.8569 1978.3174 103.9150 1.2709 -1139.7795 0.0000 0.0000 2706.3263 6163.2487 298.9213 3456.9224 6193.8071 297.9907 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: 9426.93, 0.00390978/step Wall: 9426.93, 0.00390978/step, 0.164428 hours remaining, 115.902344 MB of memory in use. ENERGY: 2348600 664.6693 1819.6100 1936.3332 107.5712 3.2689 -1071.8042 0.0000 0.0000 2696.2907 6155.9390 297.8128 3459.6483 6187.9887 296.9650 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: 9427.71, 0.00391498/step Wall: 9427.71, 0.00391498/step, 0.164429 hours remaining, 115.902344 MB of memory in use. ENERGY: 2348800 646.4993 1884.9110 1938.4149 112.6477 3.1106 -1099.8964 0.0000 0.0000 2662.8872 6148.5743 294.1233 3485.6872 6180.9060 297.3834 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: 9428.49, 0.00391653/step Wall: 9428.49, 0.00391653/step, 0.164277 hours remaining, 115.902344 MB of memory in use. ENERGY: 2349000 687.3833 1812.3472 1959.5423 109.6581 3.4522 -1123.7966 0.0000 0.0000 2740.3876 6188.9742 302.6834 3448.5866 6222.9939 298.4101 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: 9429.28, 0.00391665/step Wall: 9429.28, 0.00391665/step, 0.164064 hours remaining, 115.902344 MB of memory in use. ENERGY: 2349200 649.1893 1838.6848 1980.6142 107.2386 3.1793 -1059.9633 0.0000 0.0000 2690.3529 6209.2957 297.1570 3518.9428 6245.5192 300.8075 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: 9430.06, 0.0039286/step Wall: 9430.06, 0.00392861/step, 0.164347 hours remaining, 115.902344 MB of memory in use. ENERGY: 2349400 640.5773 1799.6190 1972.3210 116.2021 4.2964 -1090.6580 0.0000 0.0000 2773.3775 6215.7352 306.3273 3442.3577 6253.7801 299.6617 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: 9430.85, 0.0039221/step Wall: 9430.85, 0.0039221/step, 0.163857 hours remaining, 115.902344 MB of memory in use. ENERGY: 2349600 655.4292 1933.7415 1949.8440 110.2632 2.5108 -1081.7328 0.0000 0.0000 2737.3564 6307.4122 302.3486 3570.0559 6337.9179 303.0821 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: 9431.63, 0.00392158/step Wall: 9431.63, 0.00392158/step, 0.163617 hours remaining, 115.902344 MB of memory in use. ENERGY: 2349800 653.0997 1850.5499 1940.8206 113.9498 2.1978 -1065.4654 0.0000 0.0000 2747.9171 6243.0696 303.5151 3495.1525 6278.0709 303.3865 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: 9432.41, 0.00392261/step Wall: 9432.41, 0.00392261/step, 0.163442 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2350000 629.3828 1896.4448 1972.7498 117.7508 3.1317 -1051.8379 0.0000 0.0000 2686.7771 6254.3991 296.7620 3567.6220 6284.9044 301.4135 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2350000 WRITING COORDINATES TO DCD FILE MD.1.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: 9434.14, 0.00862651/step Wall: 9434.14, 0.00862651/step, 0.358959 hours remaining, 115.902344 MB of memory in use. ENERGY: 2350200 662.3241 1864.7551 1971.3238 105.8363 3.8750 -1076.5552 0.0000 0.0000 2673.6872 6205.2464 295.3162 3531.5592 6236.4423 301.1597 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: 9434.92, 0.00391017/step Wall: 9434.92, 0.00391017/step, 0.162489 hours remaining, 115.902344 MB of memory in use. ENERGY: 2350400 611.4640 1807.0883 1964.6854 106.4095 3.0583 -1045.0464 0.0000 0.0000 2741.6997 6189.3587 302.8284 3447.6590 6223.5676 299.1479 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: 9435.7, 0.00391634/step Wall: 9435.7, 0.00391634/step, 0.162528 hours remaining, 115.902344 MB of memory in use. ENERGY: 2350600 646.8365 1836.0798 1923.0756 99.6997 4.1670 -1085.1964 0.0000 0.0000 2715.5550 6140.2171 299.9406 3424.6622 6173.0982 297.6725 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: 9436.49, 0.00391593/step Wall: 9436.49, 0.00391594/step, 0.162294 hours remaining, 115.902344 MB of memory in use. ENERGY: 2350800 676.9012 1815.2213 1960.2364 112.8483 3.6468 -1085.2980 0.0000 0.0000 2682.5739 6166.1300 296.2978 3483.5560 6200.2790 297.1499 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: 9437.27, 0.00391572/step Wall: 9437.27, 0.00391572/step, 0.162067 hours remaining, 115.902344 MB of memory in use. ENERGY: 2351000 648.9258 1837.4427 1949.0710 112.5288 3.5953 -1129.8586 0.0000 0.0000 2737.3591 6159.0643 302.3489 3421.7051 6190.5387 296.8563 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: 9438.05, 0.00390951/step Wall: 9438.05, 0.00390951/step, 0.161593 hours remaining, 115.902344 MB of memory in use. ENERGY: 2351200 659.2091 1825.1383 1969.9389 102.5763 4.2302 -1085.7931 0.0000 0.0000 2748.8940 6224.1938 303.6230 3475.2998 6259.1197 299.6700 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: 9438.84, 0.00392358/step Wall: 9438.84, 0.00392358/step, 0.161957 hours remaining, 115.902344 MB of memory in use. ENERGY: 2351400 655.3068 1856.3072 1959.7658 100.7135 4.8495 -1113.5861 0.0000 0.0000 2742.9598 6206.3165 302.9675 3463.3567 6238.6816 300.8476 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: 9439.62, 0.00391333/step Wall: 9439.62, 0.00391333/step, 0.161316 hours remaining, 115.902344 MB of memory in use. ENERGY: 2351600 659.6846 1825.9955 1976.6000 115.0401 4.1042 -1084.6149 0.0000 0.0000 2730.4365 6227.2460 301.5843 3496.8095 6263.0497 300.8963 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: 9440.4, 0.00391558/step Wall: 9440.4, 0.00391558/step, 0.161191 hours remaining, 115.902344 MB of memory in use. ENERGY: 2351800 636.9533 1808.7443 1970.4915 113.4673 3.5621 -1067.0402 0.0000 0.0000 2730.5217 6196.7001 301.5937 3466.1783 6229.9642 299.6980 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: 9441.19, 0.00391366/step Wall: 9441.19, 0.00391366/step, 0.160895 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2352000 687.3439 1855.8695 1974.5507 105.8807 3.8805 -1047.1647 0.0000 0.0000 2667.2850 6247.6456 294.6091 3580.3606 6279.7827 299.3394 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: 9441.97, 0.00391073/step Wall: 9441.97, 0.00391073/step, 0.160557 hours remaining, 115.902344 MB of memory in use. ENERGY: 2352200 625.4764 1836.0048 1974.9709 102.1223 3.1780 -1061.0819 0.0000 0.0000 2709.6948 6190.3654 299.2933 3480.6705 6222.8770 298.7753 LDB: ============= START OF LOAD BALANCING ============== 9444.67 LDB: ============== END OF LOAD BALANCING =============== 9444.67 LDB: =============== DONE WITH MIGRATION ================ 9444.67 LDB: ============= START OF LOAD BALANCING ============== 9445.06 LDB: ============== END OF LOAD BALANCING =============== 9445.06 LDB: =============== DONE WITH MIGRATION ================ 9445.06 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: 9442.75, 0.00392022/step Wall: 9442.75, 0.00392022/step, 0.160729 hours remaining, 115.902344 MB of memory in use. ENERGY: 2352400 665.4501 1835.1105 1958.8713 111.3353 1.5725 -1073.0626 0.0000 0.0000 2694.0004 6193.2776 297.5599 3499.2772 6223.6573 298.1315 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: 9443.54, 0.00391406/step Wall: 9443.54, 0.00391406/step, 0.160259 hours remaining, 115.902344 MB of memory in use. ENERGY: 2352600 659.5136 1854.8265 1923.2532 118.3581 3.9456 -1067.1493 0.0000 0.0000 2696.5520 6189.2998 297.8417 3492.7478 6221.4297 298.3674 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: 9444.32, 0.00391397/step Wall: 9444.32, 0.00391397/step, 0.160038 hours remaining, 115.902344 MB of memory in use. ENERGY: 2352800 648.4693 1874.2167 1962.9705 96.8207 2.3093 -1070.6965 0.0000 0.0000 2672.2068 6186.2968 295.1527 3514.0900 6215.6621 299.0987 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: 9445.1, 0.00390839/step Wall: 9445.1, 0.00390839/step, 0.159592 hours remaining, 115.902344 MB of memory in use. ENERGY: 2353000 642.1245 1836.1834 1938.3032 102.8204 2.3247 -1059.1476 0.0000 0.0000 2713.8825 6176.4910 299.7559 3462.6085 6208.5037 295.5226 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: 9445.88, 0.00391423/step Wall: 9445.88, 0.00391423/step, 0.159614 hours remaining, 115.902344 MB of memory in use. ENERGY: 2353200 659.6753 1889.7615 1955.9863 113.0717 3.9721 -1082.5670 0.0000 0.0000 2726.1884 6266.0883 301.1151 3539.8999 6297.9712 301.3391 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: 9446.67, 0.00391314/step Wall: 9446.67, 0.00391314/step, 0.159352 hours remaining, 115.902344 MB of memory in use. ENERGY: 2353400 663.8145 1860.7937 2003.8236 113.6365 3.7183 -1072.4180 0.0000 0.0000 2727.7716 6301.1401 301.2900 3573.3685 6334.9336 304.2977 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: 9447.45, 0.00391426/step Wall: 9447.45, 0.00391426/step, 0.15918 hours remaining, 115.902344 MB of memory in use. ENERGY: 2353600 680.8966 1868.0869 1976.6025 107.5508 3.5902 -1101.5408 0.0000 0.0000 2725.1239 6260.3101 300.9975 3535.1862 6295.4605 302.4923 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: 9448.23, 0.0039143/step Wall: 9448.23, 0.0039143/step, 0.158964 hours remaining, 115.902344 MB of memory in use. ENERGY: 2353800 656.5538 1821.1352 1945.0407 99.2329 5.2769 -1070.6439 0.0000 0.0000 2748.9924 6205.5880 303.6339 3456.5956 6240.4967 300.5833 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: 9449.01, 0.00391157/step Wall: 9449.01, 0.00391157/step, 0.158636 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2354000 650.7033 1887.4931 1938.9345 96.6414 3.4864 -1094.6546 0.0000 0.0000 2720.5756 6203.1797 300.4952 3482.6041 6239.9736 300.8289 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: 9449.8, 0.00391528/step Wall: 9449.8, 0.00391528/step, 0.158569 hours remaining, 115.902344 MB of memory in use. ENERGY: 2354200 653.1874 1829.5392 1957.2919 104.1846 3.0526 -1059.5847 0.0000 0.0000 2744.1301 6231.8011 303.0968 3487.6710 6264.6154 300.2070 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: 9450.58, 0.00391561/step Wall: 9450.58, 0.00391561/step, 0.158365 hours remaining, 115.902344 MB of memory in use. ENERGY: 2354400 647.3182 1868.6945 1972.1413 108.2751 3.7669 -1103.3863 0.0000 0.0000 2704.7525 6201.5622 298.7474 3496.8097 6231.4199 298.8875 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: 9451.36, 0.00391411/step Wall: 9451.36, 0.00391411/step, 0.158087 hours remaining, 115.902344 MB of memory in use. ENERGY: 2354600 668.1689 1829.3823 1975.2573 111.6774 3.3136 -1078.6893 0.0000 0.0000 2702.6903 6211.8006 298.5197 3509.1103 6244.2722 299.1562 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: 9452.15, 0.00391467/step Wall: 9452.15, 0.00391467/step, 0.157892 hours remaining, 115.902344 MB of memory in use. ENERGY: 2354800 658.6594 1872.9409 1953.6464 106.5439 3.6565 -1096.7707 0.0000 0.0000 2708.8264 6207.5028 299.1974 3498.6764 6239.1294 300.0170 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: 9452.93, 0.00390968/step Wall: 9452.93, 0.00390968/step, 0.157473 hours remaining, 115.902344 MB of memory in use. ENERGY: 2355000 666.9565 1818.5246 1989.1089 103.9925 2.7486 -1085.1569 0.0000 0.0000 2674.6449 6170.8190 295.4220 3496.1741 6202.1206 297.9910 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: 9453.71, 0.00391503/step Wall: 9453.71, 0.00391503/step, 0.157471 hours remaining, 115.902344 MB of memory in use. ENERGY: 2355200 678.4022 1854.5790 1924.9207 110.1223 1.8554 -1102.6791 0.0000 0.0000 2666.4247 6133.6252 294.5140 3467.2005 6165.7670 295.9573 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: 9454.49, 0.00391451/step Wall: 9454.49, 0.00391451/step, 0.157233 hours remaining, 115.902344 MB of memory in use. ENERGY: 2355400 634.8097 1813.0274 1948.4680 105.1901 3.2091 -1091.0757 0.0000 0.0000 2679.4957 6093.1242 295.9578 3413.6285 6127.5941 294.9017 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: 9455.28, 0.00391468/step Wall: 9455.28, 0.00391468/step, 0.157022 hours remaining, 115.902344 MB of memory in use. ENERGY: 2355600 627.0623 1823.4093 1920.1838 105.1954 3.5255 -1094.2360 0.0000 0.0000 2715.4990 6100.6393 299.9344 3385.1403 6137.8797 294.5760 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: 9456.06, 0.00390947/step Wall: 9456.06, 0.00390947/step, 0.156596 hours remaining, 115.902344 MB of memory in use. ENERGY: 2355800 658.9040 1818.7128 1949.1895 106.1262 2.9409 -1108.6926 0.0000 0.0000 2685.3792 6112.5601 296.6076 3427.1809 6144.6951 295.5456 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: 9456.84, 0.00391406/step Wall: 9456.84, 0.00391406/step, 0.156562 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2356000 647.4918 1873.9645 1953.8536 105.3054 2.0043 -1088.1216 0.0000 0.0000 2675.2849 6169.7828 295.4927 3494.4979 6203.1435 296.1691 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: 9457.62, 0.00391454/step Wall: 9457.62, 0.00391454/step, 0.156364 hours remaining, 115.902344 MB of memory in use. ENERGY: 2356200 661.1218 1826.8321 1942.1916 106.4670 2.2843 -1070.7100 0.0000 0.0000 2722.8246 6191.0115 300.7436 3468.1869 6223.4564 296.8864 LDB: ============= START OF LOAD BALANCING ============== 9460.32 LDB: ============== END OF LOAD BALANCING =============== 9460.32 LDB: =============== DONE WITH MIGRATION ================ 9460.32 LDB: ============= START OF LOAD BALANCING ============== 9460.72 LDB: ============== END OF LOAD BALANCING =============== 9462.13 LDB: =============== DONE WITH MIGRATION ================ 9462.13 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: 9459.83, 0.0110085/step Wall: 9459.83, 0.0110085/step, 0.439117 hours remaining, 115.902344 MB of memory in use. ENERGY: 2356400 654.4701 1897.1204 1973.8604 113.6470 3.7614 -1100.4373 0.0000 0.0000 2677.7300 6220.1520 295.7627 3542.4220 6253.7277 300.1903 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: 9460.61, 0.00393633/step Wall: 9460.61, 0.00393633/step, 0.156797 hours remaining, 115.902344 MB of memory in use. ENERGY: 2356600 684.8586 1820.4442 1941.1879 109.2548 2.6434 -1078.9141 0.0000 0.0000 2694.9969 6174.4716 297.6699 3479.4748 6208.8873 298.4091 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: 9461.4, 0.00391497/step Wall: 9461.4, 0.00391497/step, 0.155729 hours remaining, 115.902344 MB of memory in use. ENERGY: 2356800 641.3212 1852.1370 1936.0138 117.3963 2.3920 -1083.8971 0.0000 0.0000 2706.9982 6172.3615 298.9955 3465.3632 6204.0855 298.1318 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: 9462.18, 0.00391382/step Wall: 9462.18, 0.00391382/step, 0.155466 hours remaining, 115.902344 MB of memory in use. ENERGY: 2357000 636.1066 1861.6640 1932.1704 103.2201 3.0081 -1039.6035 0.0000 0.0000 2706.0363 6202.6019 298.8892 3496.5656 6238.9583 298.9786 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: 9462.96, 0.00391068/step Wall: 9462.96, 0.00391068/step, 0.155123 hours remaining, 115.902344 MB of memory in use. ENERGY: 2357200 634.9359 1818.6064 1940.3071 114.1848 3.7977 -1074.7523 0.0000 0.0000 2769.5109 6206.5904 305.9002 3437.0796 6241.5125 298.4302 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: 9463.74, 0.00391425/step Wall: 9463.74, 0.00391425/step, 0.155048 hours remaining, 115.902344 MB of memory in use. ENERGY: 2357400 651.6561 1872.2479 1968.8804 112.8072 2.7656 -1079.5241 0.0000 0.0000 2730.4003 6259.2335 301.5803 3528.8331 6292.5922 299.3744 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: 9464.53, 0.00391451/step Wall: 9464.53, 0.00391451/step, 0.154841 hours remaining, 115.902344 MB of memory in use. ENERGY: 2357600 627.3049 1835.3524 1933.9914 111.6915 5.4020 -1019.8657 0.0000 0.0000 2675.5830 6169.4595 295.5256 3493.8765 6202.0355 300.1015 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: 9465.31, 0.00391286/step Wall: 9465.31, 0.00391286/step, 0.154558 hours remaining, 115.902344 MB of memory in use. ENERGY: 2357800 628.2193 1900.8505 1935.8059 104.0777 4.5197 -1042.6371 0.0000 0.0000 2643.3754 6174.2114 291.9682 3530.8360 6206.8982 295.7147 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: 9466.09, 0.00390931/step Wall: 9466.09, 0.00390932/step, 0.154201 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2358000 658.6607 1887.0233 1938.0404 94.8620 2.7139 -1086.5768 0.0000 0.0000 2681.6404 6176.3639 296.1947 3494.7235 6209.9654 297.2306 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: 9466.87, 0.00391424/step Wall: 9466.87, 0.00391424/step, 0.154177 hours remaining, 115.902344 MB of memory in use. ENERGY: 2358200 658.7989 1855.3991 2006.0625 96.9146 2.8172 -1088.5073 0.0000 0.0000 2714.9864 6246.4714 299.8778 3531.4850 6279.7415 301.4784 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: 9467.66, 0.00391516/step Wall: 9467.66, 0.00391516/step, 0.153996 hours remaining, 115.902344 MB of memory in use. ENERGY: 2358400 655.1947 1860.7567 1960.5318 128.3954 3.0402 -1083.4386 0.0000 0.0000 2655.3541 6179.8343 293.2913 3524.4801 6208.3589 298.9924 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: 9468.44, 0.00391678/step Wall: 9468.44, 0.00391678/step, 0.153842 hours remaining, 115.902344 MB of memory in use. ENERGY: 2358600 661.0492 1814.8907 1957.1046 113.6867 2.3826 -1076.9563 0.0000 0.0000 2717.9847 6190.1422 300.2090 3472.1575 6220.8244 299.1193 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: 9469.22, 0.00391479/step Wall: 9469.22, 0.00391479/step, 0.153547 hours remaining, 115.902344 MB of memory in use. ENERGY: 2358800 690.5222 1823.2732 1973.7147 122.6428 3.7614 -1104.7544 0.0000 0.0000 2706.0234 6215.1833 298.8878 3509.1599 6245.5424 300.4138 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: 9470, 0.00390945/step Wall: 9470, 0.00390945/step, 0.15312 hours remaining, 115.902344 MB of memory in use. ENERGY: 2359000 660.9332 1870.6057 1958.4159 108.4810 3.1242 -1088.1794 0.0000 0.0000 2720.3340 6233.7146 300.4685 3513.3806 6264.3556 301.9639 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: 9470.79, 0.0039145/step Wall: 9470.79, 0.0039145/step, 0.1531 hours remaining, 115.902344 MB of memory in use. ENERGY: 2359200 650.2465 1835.3136 1954.9907 110.1798 3.9456 -1067.8920 0.0000 0.0000 2787.4385 6274.2226 307.8803 3486.7842 6312.5144 303.0616 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: 9471.57, 0.00391807/step Wall: 9471.57, 0.00391807/step, 0.153022 hours remaining, 115.902344 MB of memory in use. ENERGY: 2359400 655.9627 1866.9655 1950.6030 110.9948 3.7820 -1081.4838 0.0000 0.0000 2719.3511 6226.1753 300.3599 3506.8242 6261.0030 301.3980 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: 9472.35, 0.00391656/step Wall: 9472.35, 0.00391656/step, 0.152746 hours remaining, 115.902344 MB of memory in use. ENERGY: 2359600 617.2046 1840.7372 1935.7531 119.3620 2.9908 -1036.3383 0.0000 0.0000 2724.4899 6204.1992 300.9275 3479.7094 6235.0103 300.1373 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: 9473.14, 0.00391012/step Wall: 9473.14, 0.00391012/step, 0.152277 hours remaining, 115.902344 MB of memory in use. ENERGY: 2359800 628.0413 1833.2008 1955.4177 101.7650 2.9082 -1075.5420 0.0000 0.0000 2764.2352 6210.0261 305.3175 3445.7910 6241.8913 301.8765 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: 9473.92, 0.00391593/step Wall: 9473.92, 0.00391594/step, 0.152286 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2360000 673.4907 1863.8172 1931.6239 108.0078 3.4905 -1080.8226 0.0000 0.0000 2701.7353 6201.3428 298.4142 3499.6075 6232.5074 299.9601 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2360000 WRITING COORDINATES TO DCD FILE MD.1.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: 9474.75, 0.00416299/step Wall: 9474.75, 0.00416299/step, 0.161663 hours remaining, 115.902344 MB of memory in use. ENERGY: 2360200 711.0417 1836.2295 1961.7039 105.8539 3.9786 -1124.1439 0.0000 0.0000 2723.6789 6218.3424 300.8379 3494.6636 6250.0413 297.9970 LDB: ============= START OF LOAD BALANCING ============== 9477.45 LDB: ============== END OF LOAD BALANCING =============== 9477.45 LDB: =============== DONE WITH MIGRATION ================ 9477.45 LDB: ============= START OF LOAD BALANCING ============== 9477.85 LDB: ============== END OF LOAD BALANCING =============== 9477.85 LDB: =============== DONE WITH MIGRATION ================ 9477.85 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: 9475.54, 0.0039202/step Wall: 9475.54, 0.0039202/step, 0.152017 hours remaining, 115.902344 MB of memory in use. ENERGY: 2360400 652.2856 1874.3188 1943.9659 107.3586 4.2679 -1081.1146 0.0000 0.0000 2695.0614 6196.1436 297.6770 3501.0822 6229.3722 299.7606 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: 9476.32, 0.00391521/step Wall: 9476.32, 0.00391521/step, 0.151606 hours remaining, 115.902344 MB of memory in use. ENERGY: 2360600 650.7856 1821.3263 1958.8292 112.3830 2.5822 -1087.6977 0.0000 0.0000 2760.1626 6218.3713 304.8676 3458.2087 6251.5512 300.1949 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: 9477.1, 0.00391127/step Wall: 9477.1, 0.00391127/step, 0.151236 hours remaining, 115.902344 MB of memory in use. ENERGY: 2360800 639.2228 1814.9720 1978.9435 108.0629 2.9921 -1100.5061 0.0000 0.0000 2720.2246 6163.9119 300.4564 3443.6873 6196.6357 299.4463 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: 9477.88, 0.00391573/step Wall: 9477.88, 0.00391573/step, 0.151191 hours remaining, 115.902344 MB of memory in use. ENERGY: 2361000 597.5363 1862.5302 1975.5209 104.4219 4.7168 -1112.2729 0.0000 0.0000 2706.3875 6138.8407 298.9280 3432.4532 6174.4425 297.4989 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: 9478.67, 0.00392084/step Wall: 9478.67, 0.00392084/step, 0.15117 hours remaining, 115.902344 MB of memory in use. ENERGY: 2361200 686.7239 1851.9820 1942.3767 100.0851 2.3889 -1111.8554 0.0000 0.0000 2675.4439 6147.1451 295.5102 3471.7012 6180.4318 296.6267 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: 9479.45, 0.00391284/step Wall: 9479.45, 0.00391284/step, 0.150644 hours remaining, 115.902344 MB of memory in use. ENERGY: 2361400 639.4169 1786.3929 1953.9809 105.1236 3.4528 -1086.8556 0.0000 0.0000 2670.8860 6072.3975 295.0068 3401.5115 6107.0378 293.4232 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: 9480.23, 0.00391544/step Wall: 9480.23, 0.00391544/step, 0.150527 hours remaining, 115.902344 MB of memory in use. ENERGY: 2361600 632.9518 1875.6010 1938.9938 120.5690 0.2194 -1117.0671 0.0000 0.0000 2725.8945 6177.1624 301.0826 3451.2679 6211.1627 296.4111 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: 9481.02, 0.00391123/step Wall: 9481.02, 0.00391123/step, 0.150148 hours remaining, 115.902344 MB of memory in use. ENERGY: 2361800 650.6542 1870.6994 1951.1950 113.1442 2.9406 -1072.5383 0.0000 0.0000 2671.5576 6187.6527 295.0810 3516.0951 6221.5341 299.5330 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: 9481.8, 0.00391534/step Wall: 9481.8, 0.00391534/step, 0.150088 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2362000 667.1320 1861.7100 1944.9838 119.0297 4.4722 -1104.9253 0.0000 0.0000 2690.7687 6183.1712 297.2029 3492.4025 6219.6204 298.8411 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: 9482.58, 0.00391771/step Wall: 9482.58, 0.00391771/step, 0.149961 hours remaining, 115.902344 MB of memory in use. ENERGY: 2362200 674.4321 1846.4038 1947.6233 114.2691 2.1904 -1092.5771 0.0000 0.0000 2671.0231 6163.3647 295.0219 3492.3415 6195.6865 298.0505 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: 9483.37, 0.00391848/step Wall: 9483.37, 0.00391848/step, 0.149773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2362400 674.8290 1829.8509 1948.7092 119.0885 2.1698 -1099.2690 0.0000 0.0000 2741.2262 6216.6046 302.7761 3475.3784 6250.7415 299.9925 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: 9484.15, 0.00391068/step Wall: 9484.15, 0.00391068/step, 0.149257 hours remaining, 115.902344 MB of memory in use. ENERGY: 2362600 641.5946 1905.0873 1922.5078 114.4587 1.9170 -1094.5814 0.0000 0.0000 2741.1290 6232.1130 302.7653 3490.9840 6265.9629 301.0772 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: 9484.93, 0.00391845/step Wall: 9484.93, 0.00391845/step, 0.149336 hours remaining, 115.902344 MB of memory in use. ENERGY: 2362800 666.6033 1898.1476 1935.5499 102.8724 2.1850 -1103.7503 0.0000 0.0000 2721.4917 6223.0995 300.5963 3501.6078 6256.0078 302.7835 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: 9485.72, 0.00391644/step Wall: 9485.72, 0.00391644/step, 0.149042 hours remaining, 115.902344 MB of memory in use. ENERGY: 2363000 670.0991 1870.2389 1940.5134 106.6901 2.5133 -1094.9869 0.0000 0.0000 2729.4004 6224.4684 301.4699 3495.0680 6259.0766 300.4220 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: 9486.5, 0.00391639/step Wall: 9486.5, 0.00391639/step, 0.148823 hours remaining, 115.902344 MB of memory in use. ENERGY: 2363200 635.6790 1862.2316 1954.1526 107.8167 2.4915 -1073.8180 0.0000 0.0000 2745.7383 6234.2917 303.2744 3488.5534 6270.7562 301.3604 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: 9487.28, 0.00391634/step Wall: 9487.28, 0.00391634/step, 0.148603 hours remaining, 115.902344 MB of memory in use. ENERGY: 2363400 634.0220 1857.4405 1968.6220 111.0298 1.9205 -1116.3534 0.0000 0.0000 2750.6727 6207.3542 303.8195 3456.6815 6241.7953 301.0617 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: 9488.07, 0.0039118/step Wall: 9488.07, 0.0039118/step, 0.148214 hours remaining, 115.902344 MB of memory in use. ENERGY: 2363600 656.4269 1895.1788 1929.6362 114.8682 2.8249 -1088.1288 0.0000 0.0000 2705.1880 6215.9942 298.7956 3510.8061 6248.0006 299.1377 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: 9488.85, 0.00391707/step Wall: 9488.85, 0.00391707/step, 0.148196 hours remaining, 115.902344 MB of memory in use. ENERGY: 2363800 687.6308 1858.1544 1974.8072 101.8224 2.0418 -1085.3897 0.0000 0.0000 2683.0236 6222.0906 296.3474 3539.0670 6254.8334 298.8978 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: 9489.63, 0.00391703/step Wall: 9489.63, 0.00391703/step, 0.147977 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2364000 679.9327 1854.3558 1965.7850 103.6178 1.1337 -1078.0319 0.0000 0.0000 2685.1320 6211.9249 296.5803 3526.7929 6244.2118 300.2168 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: 9490.42, 0.00391677/step Wall: 9490.42, 0.00391677/step, 0.147749 hours remaining, 115.902344 MB of memory in use. ENERGY: 2364200 654.5949 1873.6539 1948.9755 110.0276 3.1346 -1065.5094 0.0000 0.0000 2678.7871 6203.6642 295.8795 3524.8771 6235.1063 299.2572 LDB: ============= START OF LOAD BALANCING ============== 9493.12 LDB: ============== END OF LOAD BALANCING =============== 9493.12 LDB: =============== DONE WITH MIGRATION ================ 9493.12 LDB: ============= START OF LOAD BALANCING ============== 9493.51 LDB: ============== END OF LOAD BALANCING =============== 9493.51 LDB: =============== DONE WITH MIGRATION ================ 9493.51 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: 9491.2, 0.00394038/step Wall: 9491.2, 0.00394038/step, 0.148421 hours remaining, 115.902344 MB of memory in use. ENERGY: 2364400 644.4657 1786.7165 1944.8074 123.7621 1.9603 -1032.7393 0.0000 0.0000 2722.3757 6191.3483 300.6940 3468.9726 6223.7082 298.5668 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: 9491.99, 0.00391539/step Wall: 9491.99, 0.00391539/step, 0.147262 hours remaining, 115.902344 MB of memory in use. ENERGY: 2364600 643.4884 1862.4105 1948.4618 104.9678 2.1808 -1056.6235 0.0000 0.0000 2706.2232 6211.1089 298.9099 3504.8857 6246.1775 298.7911 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: 9492.77, 0.0039172/step Wall: 9492.77, 0.0039172/step, 0.147113 hours remaining, 115.902344 MB of memory in use. ENERGY: 2364800 645.6829 1903.5422 1949.6532 106.8011 2.8718 -1088.4234 0.0000 0.0000 2717.2687 6237.3965 300.1299 3520.1277 6272.8507 298.5837 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: 9493.55, 0.00391634/step Wall: 9493.55, 0.00391634/step, 0.146863 hours remaining, 115.902344 MB of memory in use. ENERGY: 2365000 629.5378 1859.4452 1942.8476 120.4791 2.5772 -1057.1828 0.0000 0.0000 2732.8708 6230.5749 301.8532 3497.7041 6261.1327 300.3930 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: 9494.34, 0.00391497/step Wall: 9494.34, 0.00391497/step, 0.146594 hours remaining, 115.902344 MB of memory in use. ENERGY: 2365200 637.4912 1886.1171 1954.7211 101.2124 2.0452 -1098.9204 0.0000 0.0000 2703.3684 6186.0349 298.5946 3482.6666 6219.9960 299.2905 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: 9495.12, 0.003908/step Wall: 9495.12, 0.003908/step, 0.146116 hours remaining, 115.902344 MB of memory in use. ENERGY: 2365400 674.5791 1842.4157 1967.0838 96.8309 0.8622 -1078.6993 0.0000 0.0000 2676.9771 6180.0494 295.6796 3503.0723 6210.5651 299.2605 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: 9495.9, 0.00391479/step Wall: 9495.9, 0.00391479/step, 0.146152 hours remaining, 115.902344 MB of memory in use. ENERGY: 2365600 656.1171 1889.6101 1943.2520 86.3747 2.0426 -1070.0741 0.0000 0.0000 2786.7143 6294.0368 307.8004 3507.3225 6326.4475 301.1672 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: 9496.68, 0.00391465/step Wall: 9496.68, 0.00391465/step, 0.145929 hours remaining, 115.902344 MB of memory in use. ENERGY: 2365800 673.9564 1844.1448 1947.4134 111.9036 2.4015 -1058.1103 0.0000 0.0000 2792.3851 6314.0946 308.4267 3521.7095 6347.1851 304.3689 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: 9497.47, 0.00391467/step Wall: 9497.47, 0.00391467/step, 0.145713 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2366000 647.2195 1845.4378 1946.7731 116.5595 2.5314 -1058.4243 0.0000 0.0000 2796.2463 6296.3434 308.8532 3500.0970 6330.0926 306.2732 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: 9498.25, 0.00391254/step Wall: 9498.25, 0.00391254/step, 0.145416 hours remaining, 115.902344 MB of memory in use. ENERGY: 2366200 656.8380 1861.6114 1970.0596 111.5094 3.7051 -1091.7732 0.0000 0.0000 2693.5220 6205.4723 297.5070 3511.9503 6237.5042 302.2872 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: 9499.03, 0.00390914/step Wall: 9499.03, 0.00390914/step, 0.145073 hours remaining, 115.902344 MB of memory in use. ENERGY: 2366400 687.0056 1857.1790 1991.5062 99.2617 1.6719 -1057.5389 0.0000 0.0000 2665.7858 6244.8713 294.4435 3579.0854 6278.1547 301.8785 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: 9499.81, 0.00391489/step Wall: 9499.81, 0.00391489/step, 0.145068 hours remaining, 115.902344 MB of memory in use. ENERGY: 2366600 658.7052 1835.4079 1952.0080 106.0061 2.1611 -1065.2337 0.0000 0.0000 2745.5877 6234.6422 303.2578 3489.0545 6266.8307 300.7843 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: 9500.6, 0.0039157/step Wall: 9500.6, 0.0039157/step, 0.144881 hours remaining, 115.902344 MB of memory in use. ENERGY: 2366800 630.6819 1889.0181 1922.3377 120.0362 3.8975 -1071.1500 0.0000 0.0000 2745.4036 6240.2250 303.2375 3494.8214 6271.8718 300.8240 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: 9501.38, 0.00391473/step Wall: 9501.38, 0.00391473/step, 0.144628 hours remaining, 115.902344 MB of memory in use. ENERGY: 2367000 645.7251 1906.6573 1922.4450 108.3010 2.4552 -1089.2819 0.0000 0.0000 2706.3156 6202.6173 298.9201 3496.3017 6233.5342 301.9613 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: 9502.16, 0.0039094/step Wall: 9502.16, 0.0039094/step, 0.144214 hours remaining, 115.902344 MB of memory in use. ENERGY: 2367200 683.0680 1844.7619 1968.0762 96.1802 1.4225 -1087.1128 0.0000 0.0000 2682.3194 6188.7153 296.2696 3506.3960 6222.7801 300.0672 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: 9502.95, 0.0039158/step Wall: 9502.95, 0.0039158/step, 0.144232 hours remaining, 115.902344 MB of memory in use. ENERGY: 2367400 664.7058 1852.7132 1929.7692 102.6329 2.4028 -1122.8348 0.0000 0.0000 2775.5667 6204.9558 306.5691 3429.3891 6240.2974 300.8380 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: 9503.73, 0.00391696/step Wall: 9503.73, 0.00391696/step, 0.144057 hours remaining, 115.902344 MB of memory in use. ENERGY: 2367600 670.8502 1870.7855 1945.1624 117.4703 2.6209 -1114.9740 0.0000 0.0000 2691.6327 6183.5480 297.2983 3491.9153 6217.5801 299.4183 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: 9504.51, 0.00391693/step Wall: 9504.51, 0.00391692/step, 0.143838 hours remaining, 115.902344 MB of memory in use. ENERGY: 2367800 673.9279 1790.3211 1951.4972 108.2677 1.7792 -1049.1809 0.0000 0.0000 2717.1546 6193.7668 300.1173 3476.6122 6224.8122 298.3348 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: 9505.29, 0.00391504/step Wall: 9505.29, 0.00391505/step, 0.143552 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2368000 632.8019 1754.3277 1968.2172 100.8791 1.2807 -1063.7636 0.0000 0.0000 2770.9528 6164.6958 306.0595 3393.7430 6197.8588 298.7555 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: 9506.08, 0.00391114/step Wall: 9506.08, 0.00391114/step, 0.143191 hours remaining, 115.902344 MB of memory in use. ENERGY: 2368200 627.3087 1896.4667 1971.0536 110.7766 2.3538 -1083.3298 0.0000 0.0000 2677.7268 6202.3564 295.7624 3524.6297 6238.1374 297.5844 LDB: ============= START OF LOAD BALANCING ============== 9508.78 LDB: ============== END OF LOAD BALANCING =============== 9508.78 LDB: =============== DONE WITH MIGRATION ================ 9508.78 LDB: ============= START OF LOAD BALANCING ============== 9509.17 LDB: ============== END OF LOAD BALANCING =============== 9509.17 LDB: =============== DONE WITH MIGRATION ================ 9509.17 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: 9506.86, 0.00392108/step Wall: 9506.86, 0.00392108/step, 0.143337 hours remaining, 115.902344 MB of memory in use. ENERGY: 2368400 681.0390 1866.3203 1982.0491 116.1215 2.4112 -1103.0274 0.0000 0.0000 2700.0945 6245.0082 298.2330 3544.9137 6277.2323 301.0858 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: 9507.64, 0.00391459/step Wall: 9507.64, 0.00391459/step, 0.142883 hours remaining, 115.902344 MB of memory in use. ENERGY: 2368600 671.9631 1886.9345 1959.0822 105.3643 1.8614 -1071.3487 0.0000 0.0000 2716.3544 6270.2112 300.0289 3553.8568 6306.0073 301.4279 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: 9508.43, 0.00391747/step Wall: 9508.43, 0.00391747/step, 0.14277 hours remaining, 115.902344 MB of memory in use. ENERGY: 2368800 685.6858 1904.9801 1965.9074 95.6938 2.5740 -1097.6497 0.0000 0.0000 2668.0728 6225.2642 294.6961 3557.1914 6258.0471 300.8637 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: 9509.21, 0.00390849/step Wall: 9509.21, 0.00390849/step, 0.142226 hours remaining, 115.902344 MB of memory in use. ENERGY: 2369000 666.1717 1865.6283 1942.4527 105.8320 3.0947 -1066.9589 0.0000 0.0000 2707.7741 6223.9945 299.0812 3516.2205 6257.9534 300.2976 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: 9509.99, 0.00391553/step Wall: 9509.99, 0.00391553/step, 0.142264 hours remaining, 115.902344 MB of memory in use. ENERGY: 2369200 647.8058 1874.0098 1987.5373 112.8066 2.5865 -1077.8225 0.0000 0.0000 2729.3141 6276.2376 301.4603 3546.9235 6308.7243 301.0216 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: 9510.78, 0.00391835/step Wall: 9510.78, 0.00391835/step, 0.142149 hours remaining, 115.902344 MB of memory in use. ENERGY: 2369400 689.7965 1858.9885 1970.8974 107.3666 2.4475 -1096.3695 0.0000 0.0000 2741.0565 6274.1834 302.7573 3533.1269 6307.4339 304.2429 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: 9511.56, 0.00391707/step Wall: 9511.56, 0.00391707/step, 0.141885 hours remaining, 115.902344 MB of memory in use. ENERGY: 2369600 674.4513 1866.4098 1951.1386 101.3142 2.3957 -1077.1038 0.0000 0.0000 2737.9814 6256.5872 302.4177 3518.6059 6290.0843 303.0296 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: 9512.34, 0.00391939/step Wall: 9512.34, 0.00391939/step, 0.141751 hours remaining, 115.902344 MB of memory in use. ENERGY: 2369800 678.8960 1890.6897 1978.3312 108.8073 1.7652 -1103.8521 0.0000 0.0000 2730.5525 6285.1897 301.5971 3554.6373 6316.6192 302.2735 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: 9513.13, 0.00391164/step Wall: 9513.13, 0.00391164/step, 0.141254 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2370000 679.6796 1866.7036 1949.5766 108.2553 3.2449 -1074.0352 0.0000 0.0000 2733.7477 6267.1724 301.9500 3533.4248 6298.6395 302.9143 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2370000 WRITING COORDINATES TO DCD FILE MD.1.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: 9515.34, 0.0110554/step Wall: 9515.34, 0.0110554/step, 0.398609 hours remaining, 115.902344 MB of memory in use. ENERGY: 2370200 662.7904 1910.6548 1954.7761 102.1256 2.7986 -1090.3935 0.0000 0.0000 2766.1784 6308.9305 305.5321 3542.7520 6340.9074 304.4719 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: 9516.12, 0.00391096/step Wall: 9516.12, 0.00391096/step, 0.140795 hours remaining, 115.902344 MB of memory in use. ENERGY: 2370400 642.4725 1882.4297 1954.4381 108.0881 2.9456 -1081.5605 0.0000 0.0000 2779.4584 6288.2720 306.9989 3508.8136 6324.7964 304.0492 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: 9516.9, 0.00391819/step Wall: 9516.9, 0.00391819/step, 0.140837 hours remaining, 115.902344 MB of memory in use. ENERGY: 2370600 674.4729 1823.4175 1948.1582 112.8606 4.0509 -1067.3033 0.0000 0.0000 2750.4750 6246.1317 303.7976 3495.6567 6279.2103 303.0406 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: 9517.69, 0.00391801/step Wall: 9517.69, 0.00391801/step, 0.140613 hours remaining, 115.902344 MB of memory in use. ENERGY: 2370800 638.3749 1784.5374 1976.6169 114.1760 3.9372 -1089.4327 0.0000 0.0000 2700.6759 6128.8857 298.2972 3428.2098 6165.6521 298.1363 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: 9518.47, 0.00392474/step Wall: 9518.47, 0.00392474/step, 0.140636 hours remaining, 115.902344 MB of memory in use. ENERGY: 2371000 681.7854 1835.5271 1940.5758 103.4253 3.1628 -1103.9509 0.0000 0.0000 2671.7587 6132.2843 295.1032 3460.5256 6164.4005 297.0962 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: 9519.25, 0.00391205/step Wall: 9519.25, 0.00391205/step, 0.139964 hours remaining, 115.902344 MB of memory in use. ENERGY: 2371200 662.8653 1841.8282 1974.7003 108.8597 4.3108 -1108.6943 0.0000 0.0000 2656.9639 6140.8339 293.4691 3483.8700 6171.9834 297.0223 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: 9520.04, 0.00391604/step Wall: 9520.04, 0.00391604/step, 0.13989 hours remaining, 115.902344 MB of memory in use. ENERGY: 2371400 642.2397 1827.5399 1975.2113 108.2391 2.4676 -1063.7053 0.0000 0.0000 2662.8130 6154.8053 294.1151 3491.9923 6184.7669 297.7514 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: 9520.82, 0.00391442/step Wall: 9520.82, 0.00391442/step, 0.139614 hours remaining, 115.902344 MB of memory in use. ENERGY: 2371600 628.5337 1827.3595 1956.0681 101.1203 2.5621 -1044.5301 0.0000 0.0000 2679.5830 6150.6966 295.9674 3471.1137 6181.0111 296.7847 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: 9521.6, 0.00391451/step Wall: 9521.6, 0.00391451/step, 0.1394 hours remaining, 115.902344 MB of memory in use. ENERGY: 2371800 674.0503 1812.1197 1932.1083 113.8066 2.2761 -1071.9105 0.0000 0.0000 2703.1690 6165.6195 298.5725 3462.4505 6198.2304 296.1857 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: 9522.39, 0.00391456/step Wall: 9522.39, 0.00391456/step, 0.139184 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2372000 674.0421 1880.2739 1942.2502 98.0759 2.5011 -1084.2280 0.0000 0.0000 2685.2715 6198.1867 296.5957 3512.9152 6230.0593 299.3478 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: 9523.17, 0.00390837/step Wall: 9523.17, 0.00390837/step, 0.138747 hours remaining, 115.902344 MB of memory in use. ENERGY: 2372200 659.2622 1891.8738 1949.3105 102.7780 1.3974 -1054.0686 0.0000 0.0000 2648.2317 6198.7850 292.5046 3550.5533 6230.2422 299.0675 LDB: ============= START OF LOAD BALANCING ============== 9525.87 LDB: ============== END OF LOAD BALANCING =============== 9525.87 LDB: =============== DONE WITH MIGRATION ================ 9525.87 LDB: ============= START OF LOAD BALANCING ============== 9526.26 LDB: ============== END OF LOAD BALANCING =============== 9526.26 LDB: =============== DONE WITH MIGRATION ================ 9526.26 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: 9523.95, 0.00391976/step Wall: 9523.95, 0.00391975/step, 0.138933 hours remaining, 115.902344 MB of memory in use. ENERGY: 2372400 654.5359 1901.4358 1930.8933 115.6406 3.3098 -1047.1093 0.0000 0.0000 2646.2694 6204.9755 292.2878 3558.7061 6237.6254 299.6192 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: 9524.73, 0.00391601/step Wall: 9524.73, 0.00391601/step, 0.138583 hours remaining, 115.902344 MB of memory in use. ENERGY: 2372600 712.3529 1883.3831 1910.5552 101.3072 3.3878 -1083.1772 0.0000 0.0000 2711.9517 6239.7607 299.5426 3527.8090 6268.6364 300.1934 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: 9525.52, 0.00391512/step Wall: 9525.52, 0.00391512/step, 0.138334 hours remaining, 115.902344 MB of memory in use. ENERGY: 2372800 632.1078 1828.8645 1955.4137 114.0471 3.2238 -1049.8780 0.0000 0.0000 2720.0755 6203.8544 300.4399 3483.7789 6237.6941 298.4736 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: 9526.3, 0.00391659/step Wall: 9526.3, 0.00391659/step, 0.138169 hours remaining, 115.902344 MB of memory in use. ENERGY: 2373000 636.6242 1852.5616 1929.2707 105.9005 2.1099 -1046.9754 0.0000 0.0000 2686.7679 6166.2594 296.7610 3479.4915 6198.6824 299.0096 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: 9527.08, 0.00391031/step Wall: 9527.08, 0.00391031/step, 0.13773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2373200 650.9869 1891.2222 1901.7786 121.5035 2.6295 -1082.1114 0.0000 0.0000 2741.9979 6228.0071 302.8613 3486.0092 6260.2954 298.5386 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: 9527.87, 0.00391443/step Wall: 9527.87, 0.00391443/step, 0.137657 hours remaining, 115.902344 MB of memory in use. ENERGY: 2373400 666.5967 1848.1833 1950.0401 106.7172 2.9488 -1049.1335 0.0000 0.0000 2705.2972 6230.6500 298.8076 3525.3528 6265.2150 300.9212 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: 9528.65, 0.00391887/step Wall: 9528.65, 0.00391887/step, 0.137596 hours remaining, 115.902344 MB of memory in use. ENERGY: 2373600 681.7185 1875.9195 1941.6169 100.7158 3.6271 -1065.3796 0.0000 0.0000 2769.5450 6307.7631 305.9040 3538.2182 6342.2571 304.1609 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: 9529.43, 0.00391697/step Wall: 9529.43, 0.00391697/step, 0.137311 hours remaining, 115.902344 MB of memory in use. ENERGY: 2373800 679.5011 1930.1423 1931.5507 96.0682 2.9685 -1038.8320 0.0000 0.0000 2745.4847 6346.8834 303.2464 3601.3987 6380.8617 306.5392 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: 9530.22, 0.00391089/step Wall: 9530.22, 0.00391089/step, 0.136881 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2374000 663.3480 1872.2457 1947.1995 118.7266 3.5630 -1071.8551 0.0000 0.0000 2775.7160 6308.9436 306.5856 3533.2277 6345.7073 305.8365 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: 9531, 0.00391865/step Wall: 9531, 0.00391865/step, 0.136935 hours remaining, 115.902344 MB of memory in use. ENERGY: 2374200 669.4730 1875.9446 1954.3029 121.4402 2.8461 -1063.8456 0.0000 0.0000 2719.2230 6279.3841 300.3458 3560.1612 6312.6911 305.2062 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: 9531.78, 0.00391619/step Wall: 9531.78, 0.00391619/step, 0.136632 hours remaining, 115.902344 MB of memory in use. ENERGY: 2374400 631.4873 1886.5481 1946.2044 111.1892 2.8539 -1050.3704 0.0000 0.0000 2694.7926 6222.7050 297.6473 3527.9124 6254.8869 302.6373 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: 9532.57, 0.00391846/step Wall: 9532.57, 0.00391846/step, 0.136493 hours remaining, 115.902344 MB of memory in use. ENERGY: 2374600 664.0765 1840.1926 1917.0597 103.2618 4.7698 -1065.6926 0.0000 0.0000 2734.5954 6198.2631 302.0437 3463.6677 6230.6540 300.9076 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: 9533.35, 0.00391426/step Wall: 9533.35, 0.00391426/step, 0.136129 hours remaining, 115.902344 MB of memory in use. ENERGY: 2374800 623.3871 1888.0320 1927.9523 109.8771 3.3756 -1089.5377 0.0000 0.0000 2779.5531 6242.6395 307.0094 3463.0864 6276.6356 299.6836 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: 9534.13, 0.00390988/step Wall: 9534.13, 0.00390987/step, 0.135759 hours remaining, 115.902344 MB of memory in use. ENERGY: 2375000 642.7645 1917.4034 1932.4487 100.7771 3.8860 -1074.7075 0.0000 0.0000 2713.8027 6236.3750 299.7471 3522.5723 6269.9799 300.0489 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: 9534.91, 0.00391488/step Wall: 9534.91, 0.00391489/step, 0.135716 hours remaining, 115.902344 MB of memory in use. ENERGY: 2375200 644.9079 1837.8035 1951.1217 112.4992 2.6284 -1058.6410 0.0000 0.0000 2741.2810 6231.6008 302.7821 3490.3198 6264.7591 300.4249 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: 9535.7, 0.00391623/step Wall: 9535.7, 0.00391623/step, 0.135545 hours remaining, 115.902344 MB of memory in use. ENERGY: 2375400 613.6758 1908.1507 1967.7679 97.3406 3.7422 -1072.4067 0.0000 0.0000 2696.7854 6215.0559 297.8675 3518.2705 6250.2612 299.8748 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: 9536.48, 0.00391669/step Wall: 9536.48, 0.00391669/step, 0.135343 hours remaining, 115.902344 MB of memory in use. ENERGY: 2375600 643.6187 1839.2892 1947.0988 122.8847 2.8176 -1091.1311 0.0000 0.0000 2760.4994 6225.0773 304.9048 3464.5779 6259.8278 300.6321 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: 9537.26, 0.00390985/step Wall: 9537.26, 0.00390985/step, 0.13489 hours remaining, 115.902344 MB of memory in use. ENERGY: 2375800 655.0280 1830.0614 1941.4141 112.3701 2.5613 -1059.9840 0.0000 0.0000 2713.8232 6195.2742 299.7493 3481.4510 6226.2509 300.3517 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: 9538.05, 0.00391595/step Wall: 9538.05, 0.00391595/step, 0.134883 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2376000 626.5181 1847.3934 1953.0227 117.0922 3.6797 -1033.3558 0.0000 0.0000 2683.3415 6197.6917 296.3825 3514.3503 6228.9245 299.3378 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: 9538.83, 0.00391634/step Wall: 9538.83, 0.00391634/step, 0.134678 hours remaining, 115.902344 MB of memory in use. ENERGY: 2376200 697.0190 1843.6475 1952.6470 99.5233 3.4278 -1097.4879 0.0000 0.0000 2665.7128 6164.4896 294.4354 3498.7768 6192.3222 297.1970 LDB: ============= START OF LOAD BALANCING ============== 9541.53 LDB: ============== END OF LOAD BALANCING =============== 9541.53 LDB: =============== DONE WITH MIGRATION ================ 9541.53 LDB: ============= START OF LOAD BALANCING ============== 9541.92 LDB: ============== END OF LOAD BALANCING =============== 9541.92 LDB: =============== DONE WITH MIGRATION ================ 9541.92 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: 9539.61, 0.00391941/step Wall: 9539.61, 0.00391941/step, 0.134566 hours remaining, 115.902344 MB of memory in use. ENERGY: 2376400 668.3574 1876.7412 1973.6947 98.6027 3.7822 -1082.6609 0.0000 0.0000 2699.1173 6237.6346 298.1250 3538.5173 6268.0841 300.7482 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: 9540.4, 0.0039156/step Wall: 9540.4, 0.0039156/step, 0.134218 hours remaining, 115.902344 MB of memory in use. ENERGY: 2376600 628.6167 1883.0789 1951.4068 109.7334 3.1744 -1090.4047 0.0000 0.0000 2740.5256 6226.1312 302.6987 3485.6056 6258.2913 302.2039 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: 9541.18, 0.00391022/step Wall: 9541.18, 0.00391022/step, 0.133816 hours remaining, 115.902344 MB of memory in use. ENERGY: 2376800 663.5798 1836.7692 1920.3414 104.4274 2.9745 -1089.8946 0.0000 0.0000 2738.5858 6176.7835 302.4844 3438.1977 6213.3690 300.5580 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: 9541.96, 0.00391621/step Wall: 9541.96, 0.00391621/step, 0.133804 hours remaining, 115.902344 MB of memory in use. ENERGY: 2377000 640.0392 1825.3970 1926.0144 110.8635 3.3651 -1100.1829 0.0000 0.0000 2721.0585 6126.5547 300.5485 3405.4963 6157.9592 298.5811 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: 9542.74, 0.00391642/step Wall: 9542.74, 0.00391642/step, 0.133594 hours remaining, 115.902344 MB of memory in use. ENERGY: 2377200 657.6168 1852.2841 1941.1074 117.7136 3.5657 -1123.1208 0.0000 0.0000 2717.5988 6166.7655 300.1664 3449.1667 6198.7990 297.6501 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: 9543.53, 0.00391734/step Wall: 9543.53, 0.00391734/step, 0.133407 hours remaining, 115.902344 MB of memory in use. ENERGY: 2377400 651.4354 1831.1661 1971.4280 116.6073 3.6602 -1102.5749 0.0000 0.0000 2720.4442 6192.1663 300.4806 3471.7220 6226.2180 299.6126 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: 9544.31, 0.00391849/step Wall: 9544.31, 0.00391849/step, 0.133229 hours remaining, 115.902344 MB of memory in use. ENERGY: 2377600 637.9018 1853.5666 1952.6100 122.6168 2.4300 -1042.5895 0.0000 0.0000 2745.9518 6272.4876 303.2980 3526.5358 6306.5101 300.5009 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: 9545.09, 0.00391148/step Wall: 9545.09, 0.00391148/step, 0.132773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2377800 682.3091 1896.6861 1950.5587 108.6437 3.3328 -1076.0218 0.0000 0.0000 2775.1363 6340.6448 306.5215 3565.5085 6372.4996 305.3606 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: 9545.88, 0.00391771/step Wall: 9545.88, 0.00391771/step, 0.132767 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2378000 685.0239 1882.7838 1947.9030 102.7325 2.5810 -1085.0291 0.0000 0.0000 2743.8844 6279.8793 303.0697 3535.9949 6311.4026 303.7687 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: 9546.66, 0.00391767/step Wall: 9546.66, 0.00391767/step, 0.132548 hours remaining, 115.902344 MB of memory in use. ENERGY: 2378200 634.8421 1905.3982 1925.4916 110.2163 3.0843 -1098.3997 0.0000 0.0000 2764.2261 6244.8590 305.3165 3480.6329 6280.1325 302.5431 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: 9547.44, 0.00391638/step Wall: 9547.44, 0.00391638/step, 0.132287 hours remaining, 115.902344 MB of memory in use. ENERGY: 2378400 660.5144 1873.0549 1948.1848 117.0817 2.8483 -1116.7470 0.0000 0.0000 2762.6304 6247.5675 305.1402 3484.9371 6283.2724 303.3094 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: 9548.23, 0.00391183/step Wall: 9548.23, 0.00391183/step, 0.131916 hours remaining, 115.902344 MB of memory in use. ENERGY: 2378600 653.8770 1849.4957 1976.2939 120.0575 1.9524 -1057.5222 0.0000 0.0000 2731.3218 6275.4760 301.6821 3544.1543 6308.8712 302.3779 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: 9549.01, 0.00391565/step Wall: 9549.01, 0.00391565/step, 0.131827 hours remaining, 115.902344 MB of memory in use. ENERGY: 2378800 635.0852 1845.3068 1977.3495 121.7535 3.3605 -1061.4530 0.0000 0.0000 2746.8669 6268.2694 303.3991 3521.4025 6300.4719 304.5076 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: 9549.79, 0.00391621/step Wall: 9549.79, 0.00391621/step, 0.131628 hours remaining, 115.902344 MB of memory in use. ENERGY: 2379000 602.1392 1860.1103 1977.4951 103.1713 4.8133 -1069.0204 0.0000 0.0000 2812.6716 6291.3805 310.6674 3478.7089 6323.2978 303.9612 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: 9550.58, 0.00392871/step Wall: 9550.58, 0.00392871/step, 0.13183 hours remaining, 115.902344 MB of memory in use. ENERGY: 2379200 667.7106 1871.4322 2003.2580 111.4302 4.8659 -1125.9150 0.0000 0.0000 2754.6445 6287.4265 304.2582 3532.7820 6323.0935 304.0194 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: 9551.36, 0.00391838/step Wall: 9551.36, 0.00391838/step, 0.131266 hours remaining, 115.902344 MB of memory in use. ENERGY: 2379400 662.7116 1922.9443 1923.1005 105.6332 4.3924 -1105.9088 0.0000 0.0000 2762.8812 6275.7544 305.1679 3512.8732 6309.7024 303.2808 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: 9552.14, 0.00391198/step Wall: 9552.14, 0.00391198/step, 0.130834 hours remaining, 115.902344 MB of memory in use. ENERGY: 2379600 668.4831 1847.9917 1975.2359 107.5779 4.1016 -1091.9081 0.0000 0.0000 2757.2086 6268.6906 304.5414 3511.4820 6301.4211 303.5640 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: 9552.93, 0.00391848/step Wall: 9552.93, 0.00391848/step, 0.130834 hours remaining, 115.902344 MB of memory in use. ENERGY: 2379800 641.2850 1880.9872 1949.7972 94.7129 4.5617 -1078.2537 0.0000 0.0000 2790.6337 6283.7241 308.2333 3493.0904 6317.7207 302.2669 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: 9553.71, 0.0039183/step Wall: 9553.71, 0.0039183/step, 0.13061 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2380000 678.5454 1865.3312 1947.6440 98.0442 2.9888 -1062.5454 0.0000 0.0000 2732.1459 6262.1540 301.7731 3530.0081 6298.2890 302.3896 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2380000 WRITING COORDINATES TO DCD FILE MD.1.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: 9554.53, 0.00410161/step Wall: 9554.53, 0.00410161/step, 0.136493 hours remaining, 115.902344 MB of memory in use. ENERGY: 2380200 658.7892 1873.5224 1956.4130 103.8313 4.1440 -1061.1302 0.0000 0.0000 2763.4397 6299.0096 305.2296 3535.5698 6333.0481 301.7994 LDB: ============= START OF LOAD BALANCING ============== 9557.23 LDB: ============== END OF LOAD BALANCING =============== 9557.23 LDB: =============== DONE WITH MIGRATION ================ 9557.23 LDB: ============= START OF LOAD BALANCING ============== 9557.62 LDB: ============== END OF LOAD BALANCING =============== 9557.62 LDB: =============== DONE WITH MIGRATION ================ 9557.62 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: 9555.32, 0.00391727/step Wall: 9555.32, 0.00391727/step, 0.130141 hours remaining, 115.902344 MB of memory in use. ENERGY: 2380400 630.8271 1900.7786 1967.6847 104.3931 4.2097 -1048.9725 0.0000 0.0000 2762.3962 6321.3168 305.1144 3558.9207 6355.7193 303.8955 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: 9556.1, 0.00391499/step Wall: 9556.1, 0.00391499/step, 0.129847 hours remaining, 115.902344 MB of memory in use. ENERGY: 2380600 661.1957 1884.3869 1972.6058 117.1626 3.8126 -1080.9058 0.0000 0.0000 2728.0088 6286.2667 301.3162 3558.2579 6317.8074 304.4196 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: 9556.88, 0.00391855/step Wall: 9556.88, 0.00391855/step, 0.129748 hours remaining, 115.902344 MB of memory in use. ENERGY: 2380800 658.4102 1926.2503 1959.0593 112.1958 3.7809 -1092.4685 0.0000 0.0000 2739.9144 6307.1424 302.6312 3567.2279 6340.4612 304.3667 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: 9557.67, 0.00392586/step Wall: 9557.67, 0.00392586/step, 0.129771 hours remaining, 115.902344 MB of memory in use. ENERGY: 2381000 659.4671 1843.9320 1974.8840 106.1803 2.6645 -1088.3298 0.0000 0.0000 2742.0709 6240.8691 302.8694 3498.7982 6274.5385 302.8111 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: 9558.45, 0.00391742/step Wall: 9558.45, 0.00391742/step, 0.129275 hours remaining, 115.902344 MB of memory in use. ENERGY: 2381200 648.4052 1835.4863 1945.3787 120.2356 4.3814 -1087.8589 0.0000 0.0000 2725.2891 6191.3174 301.0158 3466.0283 6226.7932 300.3058 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: 9559.23, 0.00391132/step Wall: 9559.23, 0.00391132/step, 0.128856 hours remaining, 115.902344 MB of memory in use. ENERGY: 2381400 624.3756 1856.8270 1954.8995 121.7833 2.4240 -1111.5967 0.0000 0.0000 2771.7368 6220.4495 306.1461 3448.7127 6254.4755 300.7325 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: 9560.02, 0.00391472/step Wall: 9560.02, 0.00391472/step, 0.128751 hours remaining, 115.902344 MB of memory in use. ENERGY: 2381600 643.5898 1845.2084 1943.8304 107.3531 2.5347 -1075.3532 0.0000 0.0000 2752.0273 6219.1905 303.9691 3467.1632 6254.0526 301.2170 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: 9560.8, 0.00391585/step Wall: 9560.8, 0.00391585/step, 0.12857 hours remaining, 115.902344 MB of memory in use. ENERGY: 2381800 659.5636 1824.8220 1974.3172 110.3882 2.7678 -1078.6805 0.0000 0.0000 2713.9513 6207.1297 299.7635 3493.1784 6240.1672 300.5877 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: 9561.58, 0.0039125/step Wall: 9561.58, 0.0039125/step, 0.128243 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2382000 676.6213 1825.9295 1934.5743 109.1659 2.8944 -1063.7602 0.0000 0.0000 2735.3617 6220.7870 302.1283 3485.4253 6253.5954 300.8652 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: 9562.36, 0.00391413/step Wall: 9562.36, 0.00391413/step, 0.128079 hours remaining, 115.902344 MB of memory in use. ENERGY: 2382200 668.6215 1797.2930 1952.8781 108.6013 2.7017 -1087.7927 0.0000 0.0000 2742.2070 6184.5099 302.8844 3442.3029 6218.3007 300.2215 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: 9563.15, 0.00391011/step Wall: 9563.15, 0.00391011/step, 0.12773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2382400 644.9364 1821.4530 1972.8293 111.6119 3.8183 -1085.5717 0.0000 0.0000 2688.3699 6157.4471 296.9379 3469.0772 6191.0422 298.3980 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: 9563.93, 0.00391183/step Wall: 9563.93, 0.00391183/step, 0.127569 hours remaining, 115.902344 MB of memory in use. ENERGY: 2382600 599.5481 1823.0797 1954.7398 118.3855 3.1172 -1056.1941 0.0000 0.0000 2662.2289 6104.9051 294.0506 3442.6762 6137.0188 296.0783 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: 9564.71, 0.00391356/step Wall: 9564.71, 0.00391356/step, 0.127408 hours remaining, 115.902344 MB of memory in use. ENERGY: 2382800 638.8939 1831.2617 1934.9565 97.7778 3.4312 -1073.6239 0.0000 0.0000 2694.7849 6127.4821 297.6465 3432.6973 6161.3284 294.4207 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: 9565.49, 0.00391348/step Wall: 9565.49, 0.00391348/step, 0.127188 hours remaining, 115.902344 MB of memory in use. ENERGY: 2383000 616.8286 1824.2973 1928.6613 115.0919 3.1575 -1066.3177 0.0000 0.0000 2716.1851 6137.9040 300.0102 3421.7189 6172.4516 296.2080 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: 9566.28, 0.00390921/step Wall: 9566.28, 0.00390921/step, 0.126832 hours remaining, 115.902344 MB of memory in use. ENERGY: 2383200 668.3194 1826.0071 1968.1325 113.7198 3.3604 -1120.7925 0.0000 0.0000 2641.9526 6100.6993 291.8110 3458.7467 6133.3562 294.3513 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: 9567.06, 0.00391384/step Wall: 9567.06, 0.00391384/step, 0.126765 hours remaining, 115.902344 MB of memory in use. ENERGY: 2383400 662.7057 1812.9018 1953.9043 104.7808 4.8074 -1114.4797 0.0000 0.0000 2664.6371 6089.2574 294.3166 3424.6203 6124.4830 294.7002 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: 9567.84, 0.003915/step Wall: 9567.84, 0.003915/step, 0.126585 hours remaining, 115.902344 MB of memory in use. ENERGY: 2383600 670.8935 1827.9602 1944.9528 112.9257 4.5244 -1096.6046 0.0000 0.0000 2698.0132 6162.6652 298.0031 3464.6520 6194.4689 294.9752 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: 9568.62, 0.00391416/step Wall: 9568.62, 0.00391416/step, 0.12634 hours remaining, 115.902344 MB of memory in use. ENERGY: 2383800 635.1173 1823.0446 1945.5534 102.3262 3.1533 -1069.0817 0.0000 0.0000 2734.8732 6174.9864 302.0744 3440.1132 6204.1580 297.5654 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: 9569.41, 0.00391423/step Wall: 9569.41, 0.00391423/step, 0.126125 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2384000 653.7579 1855.2256 1953.3100 113.2650 3.3010 -1088.0319 0.0000 0.0000 2689.9982 6180.8259 297.1178 3490.8277 6213.0097 297.9276 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: 9570.19, 0.00390951/step Wall: 9570.19, 0.00390951/step, 0.125756 hours remaining, 115.902344 MB of memory in use. ENERGY: 2384200 671.0036 1784.4774 1945.4473 104.1238 3.9843 -1079.0799 0.0000 0.0000 2723.7953 6153.7517 300.8508 3429.9564 6187.7981 297.8106 LDB: ============= START OF LOAD BALANCING ============== 9572.89 LDB: ============== END OF LOAD BALANCING =============== 9572.89 LDB: =============== DONE WITH MIGRATION ================ 9572.89 LDB: ============= START OF LOAD BALANCING ============== 9573.28 LDB: ============== END OF LOAD BALANCING =============== 9573.28 LDB: =============== DONE WITH MIGRATION ================ 9573.28 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: 9570.97, 0.00392049/step Wall: 9570.97, 0.00392049/step, 0.125891 hours remaining, 115.902344 MB of memory in use. ENERGY: 2384400 652.5596 1828.3146 1953.5634 112.1647 3.3171 -1049.8196 0.0000 0.0000 2702.8468 6202.9466 298.5370 3500.0997 6235.3949 297.2698 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: 9571.76, 0.00391343/step Wall: 9571.76, 0.00391343/step, 0.125447 hours remaining, 115.902344 MB of memory in use. ENERGY: 2384600 662.3540 1885.3869 1938.8574 111.9807 3.1337 -1115.1776 0.0000 0.0000 2702.5585 6189.0935 298.5051 3486.5351 6222.8834 298.7554 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: 9572.54, 0.00391485/step Wall: 9572.54, 0.00391485/step, 0.125275 hours remaining, 115.902344 MB of memory in use. ENERGY: 2384800 634.5729 1836.2936 1927.8628 99.0340 4.2573 -1051.8239 0.0000 0.0000 2670.2111 6120.4079 294.9323 3450.1967 6152.0046 295.5080 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: 9573.32, 0.00391106/step Wall: 9573.32, 0.00391106/step, 0.124936 hours remaining, 115.902344 MB of memory in use. ENERGY: 2385000 607.1971 1847.2457 1954.3858 116.0200 5.2376 -1072.0461 0.0000 0.0000 2670.0951 6128.1352 294.9194 3458.0401 6160.0897 295.2145 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: 9574.1, 0.00391517/step Wall: 9574.1, 0.00391517/step, 0.12485 hours remaining, 115.902344 MB of memory in use. ENERGY: 2385200 679.2691 1858.8953 1941.6044 100.5545 3.3931 -1087.9353 0.0000 0.0000 2691.6343 6187.4154 297.2985 3495.7811 6221.8753 298.4935 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: 9574.89, 0.00391672/step Wall: 9574.89, 0.00391672/step, 0.124682 hours remaining, 115.902344 MB of memory in use. ENERGY: 2385400 670.7711 1854.9425 1948.0780 102.5523 3.2017 -1073.2604 0.0000 0.0000 2672.7763 6179.0614 295.2156 3506.2852 6209.5644 298.0774 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: 9575.67, 0.00391461/step Wall: 9575.67, 0.00391461/step, 0.124398 hours remaining, 115.902344 MB of memory in use. ENERGY: 2385600 687.5795 1833.1404 1957.4993 115.6810 2.3604 -1063.9814 0.0000 0.0000 2610.8511 6143.1303 288.3758 3532.2791 6173.2327 296.1548 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: 9576.45, 0.0039139/step Wall: 9576.45, 0.0039139/step, 0.124158 hours remaining, 115.902344 MB of memory in use. ENERGY: 2385800 620.3965 1833.3630 1950.1286 115.1911 2.9705 -1074.3693 0.0000 0.0000 2691.5339 6139.2143 297.2874 3447.6804 6173.6699 295.4648 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: 9577.24, 0.00390733/step Wall: 9577.24, 0.00390733/step, 0.123732 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2386000 667.1088 1822.2643 1941.1193 112.9316 3.4537 -1069.0325 0.0000 0.0000 2690.6422 6168.4874 297.1889 3477.8452 6200.5817 296.0892 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: 9578.02, 0.00391527/step Wall: 9578.02, 0.00391527/step, 0.123766 hours remaining, 115.902344 MB of memory in use. ENERGY: 2386200 646.7775 1819.0844 1959.1444 109.4496 2.7592 -1113.9490 0.0000 0.0000 2716.9201 6140.1862 300.0914 3423.2662 6173.2315 296.9223 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: 9578.8, 0.00391736/step Wall: 9578.8, 0.00391736/step, 0.123614 hours remaining, 115.902344 MB of memory in use. ENERGY: 2386400 659.8637 1836.3811 1937.1469 110.9619 3.4111 -1074.7876 0.0000 0.0000 2643.6134 6116.5904 291.9945 3472.9771 6151.9893 296.9492 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: 9579.58, 0.00391525/step Wall: 9579.58, 0.00391525/step, 0.12333 hours remaining, 115.902344 MB of memory in use. ENERGY: 2386600 669.9141 1873.9361 1919.9622 107.1794 2.9260 -1081.5852 0.0000 0.0000 2670.7527 6163.0854 294.9921 3492.3328 6196.2077 296.4157 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: 9580.37, 0.00390965/step Wall: 9580.37, 0.00390965/step, 0.122937 hours remaining, 115.902344 MB of memory in use. ENERGY: 2386800 639.6013 1869.6906 1954.3649 112.4863 1.9726 -1095.9388 0.0000 0.0000 2718.5138 6200.6907 300.2674 3482.1769 6233.7959 299.2757 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: 9581.15, 0.00391329/step Wall: 9581.15, 0.00391329/step, 0.122834 hours remaining, 115.902344 MB of memory in use. ENERGY: 2387000 671.8188 1862.9171 1953.8764 115.7126 2.7604 -1065.1367 0.0000 0.0000 2655.4939 6197.4425 293.3067 3541.9486 6228.3574 299.2018 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: 9581.93, 0.00391465/step Wall: 9581.93, 0.00391465/step, 0.122659 hours remaining, 115.902344 MB of memory in use. ENERGY: 2387200 665.0711 1867.7743 1939.1059 103.4994 2.3856 -1089.6109 0.0000 0.0000 2688.5640 6176.7894 296.9594 3488.2254 6207.7957 297.3535 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: 9582.72, 0.00391547/step Wall: 9582.72, 0.00391547/step, 0.122467 hours remaining, 115.902344 MB of memory in use. ENERGY: 2387400 644.4312 1865.8642 1938.5485 94.7860 2.2971 -1082.2678 0.0000 0.0000 2732.7436 6196.4028 301.8391 3463.6592 6231.2716 298.5719 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: 9583.5, 0.0039149/step Wall: 9583.5, 0.0039149/step, 0.122232 hours remaining, 115.902344 MB of memory in use. ENERGY: 2387600 648.7623 1889.8380 1946.8792 106.4600 1.5112 -1113.3764 0.0000 0.0000 2763.2739 6243.3483 305.2113 3480.0744 6277.1258 301.1170 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: 9584.28, 0.00390912/step Wall: 9584.28, 0.00390912/step, 0.121834 hours remaining, 115.902344 MB of memory in use. ENERGY: 2387800 614.2393 1901.9114 1978.6152 109.9981 0.5224 -1117.8821 0.0000 0.0000 2721.1289 6208.5333 300.5563 3487.4044 6239.7559 300.7880 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: 9585.06, 0.00391526/step Wall: 9585.06, 0.00391526/step, 0.121808 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2388000 646.6307 1886.2932 1942.8027 102.9728 1.7546 -1086.9633 0.0000 0.0000 2714.6272 6208.1179 299.8381 3493.4907 6243.1080 299.3267 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: 9585.85, 0.00391525/step Wall: 9585.85, 0.00391525/step, 0.12159 hours remaining, 115.902344 MB of memory in use. ENERGY: 2388200 686.6793 1840.0186 1949.8321 122.1253 2.1930 -1049.0397 0.0000 0.0000 2717.0577 6268.8662 300.1066 3551.8085 6302.0424 300.9642 LDB: ============= START OF LOAD BALANCING ============== 9588.55 LDB: ============== END OF LOAD BALANCING =============== 9588.55 LDB: =============== DONE WITH MIGRATION ================ 9588.55 LDB: ============= START OF LOAD BALANCING ============== 9588.94 LDB: ============== END OF LOAD BALANCING =============== 9588.94 LDB: =============== DONE WITH MIGRATION ================ 9588.94 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: 9586.63, 0.00391818/step Wall: 9586.63, 0.00391818/step, 0.121464 hours remaining, 115.902344 MB of memory in use. ENERGY: 2388400 681.2132 1825.4591 1926.5713 110.0699 2.5883 -1084.7303 0.0000 0.0000 2802.3940 6263.5654 309.5322 3461.1714 6296.7768 304.2130 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: 9587.41, 0.00391409/step Wall: 9587.41, 0.00391408/step, 0.121119 hours remaining, 115.902344 MB of memory in use. ENERGY: 2388600 659.4905 1855.5240 1926.2252 106.2046 3.1450 -1095.9970 0.0000 0.0000 2833.7484 6288.3408 312.9954 3454.5924 6324.3507 304.3636 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: 9588.19, 0.00390916/step Wall: 9588.19, 0.00390917/step, 0.12075 hours remaining, 115.902344 MB of memory in use. ENERGY: 2388800 686.2646 1938.9769 1959.2438 117.1304 3.5079 -1099.5624 0.0000 0.0000 2709.4775 6315.0386 299.2693 3605.5612 6344.3109 305.3635 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: 9588.98, 0.00391507/step Wall: 9588.98, 0.00391507/step, 0.120715 hours remaining, 115.902344 MB of memory in use. ENERGY: 2389000 707.3249 1865.2133 1953.2116 102.8971 1.6947 -1077.0427 0.0000 0.0000 2764.7610 6318.0600 305.3756 3553.2990 6350.1179 306.2715 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: 9589.76, 0.00391354/step Wall: 9589.76, 0.00391354/step, 0.12045 hours remaining, 115.902344 MB of memory in use. ENERGY: 2389200 671.9896 1885.1829 1944.0004 122.8794 3.3272 -1088.6268 0.0000 0.0000 2756.9287 6295.6815 304.5105 3538.7527 6330.7103 303.8810 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: 9590.54, 0.00391315/step Wall: 9590.54, 0.00391315/step, 0.120221 hours remaining, 115.902344 MB of memory in use. ENERGY: 2389400 659.9064 1850.3738 1936.3704 104.1166 2.7063 -1079.0378 0.0000 0.0000 2814.6210 6289.0567 310.8827 3474.4357 6325.4329 303.8562 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: 9591.32, 0.0039079/step Wall: 9591.32, 0.0039079/step, 0.119842 hours remaining, 115.902344 MB of memory in use. ENERGY: 2389600 702.7947 1887.9360 1926.5965 100.6360 2.6495 -1081.2567 0.0000 0.0000 2746.1796 6285.5356 303.3232 3539.3560 6316.8536 305.0264 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: 9592.11, 0.00391273/step Wall: 9592.11, 0.00391273/step, 0.119773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2389800 633.5241 1882.0104 1960.0057 112.6232 2.5419 -1073.8289 0.0000 0.0000 2759.9534 6276.8298 304.8445 3516.8764 6314.0961 304.6252 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: 9592.89, 0.0039151/step Wall: 9592.89, 0.0039151/step, 0.119628 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2390000 655.2675 1850.4666 1956.1780 116.0331 3.1463 -1060.7254 0.0000 0.0000 2762.7508 6283.1169 305.1535 3520.3661 6315.4108 303.8295 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2390000 WRITING COORDINATES TO DCD FILE MD.1.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: 9594.29, 0.00701291/step Wall: 9594.29, 0.00701291/step, 0.213894 hours remaining, 115.902344 MB of memory in use. ENERGY: 2390200 689.6422 1875.1811 1975.8856 108.5088 2.1830 -1114.9972 0.0000 0.0000 2752.0433 6288.4469 303.9708 3536.4036 6321.1252 303.6123 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: 9595.08, 0.00391309/step Wall: 9595.08, 0.00391309/step, 0.119132 hours remaining, 115.902344 MB of memory in use. ENERGY: 2390400 665.2898 1899.9749 1991.6940 110.1761 2.0166 -1124.8598 0.0000 0.0000 2700.6860 6244.9777 298.2983 3544.2917 6278.4155 302.5344 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: 9595.86, 0.00391307/step Wall: 9595.86, 0.00391307/step, 0.118914 hours remaining, 115.902344 MB of memory in use. ENERGY: 2390600 665.7634 1870.3899 1943.7549 107.9758 2.2975 -1045.6201 0.0000 0.0000 2691.8134 6236.3748 297.3183 3544.5614 6268.8102 301.3925 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: 9596.64, 0.00391211/step Wall: 9596.64, 0.00391211/step, 0.118667 hours remaining, 115.902344 MB of memory in use. ENERGY: 2390800 638.7028 1880.3811 1957.9617 102.1118 4.5849 -1069.8972 0.0000 0.0000 2739.8505 6253.6956 302.6241 3513.8451 6286.0058 303.1346 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: 9597.42, 0.00391439/step Wall: 9597.42, 0.00391439/step, 0.118519 hours remaining, 115.902344 MB of memory in use. ENERGY: 2391000 720.6310 1840.6791 1939.9241 98.8469 3.5924 -1112.0326 0.0000 0.0000 2687.1461 6178.7871 296.8028 3491.6409 6214.2043 299.9053 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: 9598.2, 0.00390705/step Wall: 9598.2, 0.00390705/step, 0.11808 hours remaining, 115.902344 MB of memory in use. ENERGY: 2391200 706.8032 1819.1524 1948.1021 107.6028 2.4049 -1099.3591 0.0000 0.0000 2686.3305 6171.0367 296.7127 3484.7062 6204.7749 299.2752 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: 9598.99, 0.00391228/step Wall: 9598.99, 0.00391228/step, 0.11802 hours remaining, 115.902344 MB of memory in use. ENERGY: 2391400 606.1301 1810.1752 1967.5448 102.4667 2.9680 -1056.8323 0.0000 0.0000 2706.5847 6139.0373 298.9498 3432.4526 6172.2478 297.7385 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: 9599.77, 0.00391088/step Wall: 9599.77, 0.00391088/step, 0.117761 hours remaining, 115.902344 MB of memory in use. ENERGY: 2391600 688.0718 1823.0214 1973.0992 104.3195 2.7349 -1116.0802 0.0000 0.0000 2660.5643 6135.7309 293.8667 3475.1666 6169.3930 296.6369 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: 9600.55, 0.00391685/step Wall: 9600.55, 0.00391685/step, 0.117723 hours remaining, 115.902344 MB of memory in use. ENERGY: 2391800 669.8560 1829.9383 1950.2534 113.6670 2.0506 -1108.5919 0.0000 0.0000 2621.2109 6078.3842 289.5200 3457.1733 6110.2892 294.8140 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: 9601.34, 0.00392115/step Wall: 9601.34, 0.00392115/step, 0.117635 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2392000 620.2873 1803.7139 1961.0506 112.4156 2.7766 -1088.5236 0.0000 0.0000 2665.0575 6076.7779 294.3630 3411.7204 6108.1567 291.8478 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: 9602.12, 0.00392132/step Wall: 9602.12, 0.00392132/step, 0.117422 hours remaining, 115.902344 MB of memory in use. ENERGY: 2392200 626.7899 1778.4327 1961.6271 104.6290 2.6135 -1085.9337 0.0000 0.0000 2690.9436 6079.1021 297.2222 3388.1585 6113.0162 292.2419 LDB: ============= START OF LOAD BALANCING ============== 9604.82 LDB: ============== END OF LOAD BALANCING =============== 9604.82 LDB: =============== DONE WITH MIGRATION ================ 9604.82 LDB: ============= START OF LOAD BALANCING ============== 9605.21 LDB: ============== END OF LOAD BALANCING =============== 9605.21 LDB: =============== DONE WITH MIGRATION ================ 9605.21 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: 9602.91, 0.00392052/step Wall: 9602.91, 0.00392052/step, 0.11718 hours remaining, 115.902344 MB of memory in use. ENERGY: 2392400 600.5843 1835.0970 1944.8205 110.6169 1.9066 -1048.0548 0.0000 0.0000 2715.3141 6160.2847 299.9140 3444.9706 6196.1987 295.0030 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: 9603.69, 0.00391183/step Wall: 9603.69, 0.00391183/step, 0.116703 hours remaining, 115.902344 MB of memory in use. ENERGY: 2392600 676.4089 1851.7093 1945.5028 94.6850 2.3140 -1075.8729 0.0000 0.0000 2685.9020 6180.6492 296.6654 3494.7472 6211.9286 296.9940 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: 9604.47, 0.00391233/step Wall: 9604.47, 0.00391233/step, 0.116501 hours remaining, 115.902344 MB of memory in use. ENERGY: 2392800 670.0048 1821.4110 1963.9127 116.9250 2.4550 -1090.9068 0.0000 0.0000 2681.7845 6165.5861 296.2106 3483.8017 6197.9664 298.0654 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: 9605.25, 0.00390716/step Wall: 9605.25, 0.00390716/step, 0.116129 hours remaining, 115.902344 MB of memory in use. ENERGY: 2393000 633.5958 1864.3038 1937.7963 109.2336 1.9362 -1065.8190 0.0000 0.0000 2612.2567 6093.3034 288.5310 3481.0467 6122.6262 295.1783 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: 9606.03, 0.0039107/step Wall: 9606.03, 0.0039107/step, 0.116018 hours remaining, 115.902344 MB of memory in use. ENERGY: 2393200 618.5785 1843.8103 1950.0279 115.1048 3.3336 -1081.8352 0.0000 0.0000 2734.6204 6183.6403 302.0464 3449.0199 6217.3832 296.8413 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: 9606.82, 0.00391064/step Wall: 9606.82, 0.00391064/step, 0.115798 hours remaining, 115.902344 MB of memory in use. ENERGY: 2393400 692.0108 1825.0169 1950.8965 110.1837 3.1919 -1107.1580 0.0000 0.0000 2756.5664 6230.7082 304.4704 3474.1419 6265.1338 300.6067 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: 9607.6, 0.00391063/step Wall: 9607.6, 0.00391063/step, 0.115581 hours remaining, 115.902344 MB of memory in use. ENERGY: 2393600 664.4161 1831.7415 1969.9094 101.9103 2.6092 -1061.6843 0.0000 0.0000 2718.7802 6227.6823 300.2968 3508.9022 6259.8445 301.8056 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: 9608.38, 0.00390858/step Wall: 9608.38, 0.00390858/step, 0.115303 hours remaining, 115.902344 MB of memory in use. ENERGY: 2393800 614.7497 1892.5871 1928.9905 98.5724 2.4292 -1033.6983 0.0000 0.0000 2717.4265 6221.0573 300.1473 3503.6308 6253.8607 299.9424 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: 9609.16, 0.0039105/step Wall: 9609.16, 0.0039105/step, 0.115143 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2394000 644.0703 1839.1430 1937.6538 104.1661 2.6247 -1098.0699 0.0000 0.0000 2701.9716 6131.5596 298.4403 3429.5879 6166.4921 298.1940 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: 9609.94, 0.00391163/step Wall: 9609.94, 0.00391163/step, 0.114958 hours remaining, 115.902344 MB of memory in use. ENERGY: 2394200 639.2077 1827.2208 1948.8066 103.6421 1.9854 -1089.1335 0.0000 0.0000 2725.4665 6157.1956 301.0354 3431.7291 6189.7023 296.2096 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: 9610.73, 0.00392277/step Wall: 9610.73, 0.00392277/step, 0.115068 hours remaining, 115.902344 MB of memory in use. ENERGY: 2394400 647.1100 1785.4941 1969.1130 103.9451 1.1854 -1060.5157 0.0000 0.0000 2743.4799 6189.8118 303.0250 3446.3319 6224.9354 298.6028 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: 9611.51, 0.00391223/step Wall: 9611.51, 0.00391223/step, 0.114541 hours remaining, 115.902344 MB of memory in use. ENERGY: 2394600 667.3967 1850.3054 1981.1281 106.7539 1.8701 -1103.1564 0.0000 0.0000 2704.6157 6208.9136 298.7323 3504.2979 6240.1972 299.7474 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: 9612.29, 0.00390855/step Wall: 9612.29, 0.00390855/step, 0.114217 hours remaining, 115.902344 MB of memory in use. ENERGY: 2394800 645.1544 1834.4426 1966.9787 115.4496 3.0075 -1073.1253 0.0000 0.0000 2691.9226 6183.8301 297.3303 3491.9076 6212.8538 299.2375 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: 9613.08, 0.00391179/step Wall: 9613.08, 0.00391179/step, 0.114094 hours remaining, 115.902344 MB of memory in use. ENERGY: 2395000 650.5954 1860.0575 1976.1081 108.8900 2.1230 -1057.3865 0.0000 0.0000 2709.1668 6249.5543 299.2350 3540.3874 6278.9890 302.0775 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: 9613.86, 0.00391093/step Wall: 9613.86, 0.00391093/step, 0.113852 hours remaining, 115.902344 MB of memory in use. ENERGY: 2395200 661.4115 1831.2978 1974.2879 107.4608 3.8839 -1069.8016 0.0000 0.0000 2747.4800 6256.0203 303.4668 3508.5403 6288.2914 302.7811 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: 9614.64, 0.0039115/step Wall: 9614.64, 0.0039115/step, 0.113651 hours remaining, 115.902344 MB of memory in use. ENERGY: 2395400 618.5563 1846.9492 1983.8508 113.2449 2.5215 -1061.4076 0.0000 0.0000 2712.9305 6216.6455 299.6507 3503.7150 6250.6357 300.3822 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: 9615.42, 0.00390712/step Wall: 9615.42, 0.00390712/step, 0.113306 hours remaining, 115.902344 MB of memory in use. ENERGY: 2395600 635.7863 1873.7814 1949.6732 109.6998 1.4822 -1062.5142 0.0000 0.0000 2665.8948 6173.8035 294.4555 3507.9087 6204.4586 299.2237 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: 9616.2, 0.00391274/step Wall: 9616.2, 0.00391274/step, 0.113252 hours remaining, 115.902344 MB of memory in use. ENERGY: 2395800 670.8275 1877.7899 1930.3041 114.3422 1.2551 -1090.5190 0.0000 0.0000 2643.0231 6147.0227 291.9293 3503.9997 6178.6929 297.3507 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: 9616.99, 0.00391273/step Wall: 9616.99, 0.00391273/step, 0.113034 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2396000 650.8203 1814.3951 1932.8224 108.8856 2.6033 -1076.0375 0.0000 0.0000 2700.4640 6133.9532 298.2738 3433.4892 6167.5133 297.4529 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: 9617.77, 0.0039138/step Wall: 9617.77, 0.00391381/step, 0.112848 hours remaining, 115.902344 MB of memory in use. ENERGY: 2396200 643.1161 1831.9690 1938.5245 110.1341 1.4306 -1089.3139 0.0000 0.0000 2716.4039 6152.2645 300.0344 3435.8606 6186.6728 297.4073 LDB: ============= START OF LOAD BALANCING ============== 9620.47 LDB: ============== END OF LOAD BALANCING =============== 9620.47 LDB: =============== DONE WITH MIGRATION ================ 9620.47 LDB: ============= START OF LOAD BALANCING ============== 9620.86 LDB: ============== END OF LOAD BALANCING =============== 9620.86 LDB: =============== DONE WITH MIGRATION ================ 9620.86 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: 9618.55, 0.00391948/step Wall: 9618.55, 0.00391948/step, 0.112794 hours remaining, 115.902344 MB of memory in use. ENERGY: 2396400 652.7826 1826.0864 1946.2530 116.9616 1.9748 -1084.8436 0.0000 0.0000 2657.7161 6116.9309 293.5522 3459.2147 6148.3627 296.2387 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: 9619.33, 0.0039089/step Wall: 9619.33, 0.0039089/step, 0.112272 hours remaining, 115.902344 MB of memory in use. ENERGY: 2396600 662.5925 1883.3203 1923.8098 107.6170 1.2370 -1051.6495 0.0000 0.0000 2651.4209 6178.3480 292.8568 3526.9271 6208.0251 297.0190 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: 9620.12, 0.00391492/step Wall: 9620.12, 0.00391492/step, 0.112228 hours remaining, 115.902344 MB of memory in use. ENERGY: 2396800 650.9063 1815.6901 1965.3069 109.7966 2.6874 -1104.7721 0.0000 0.0000 2719.9615 6159.5766 300.4273 3439.6151 6190.9243 299.5978 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: 9620.9, 0.00391382/step Wall: 9620.9, 0.00391382/step, 0.111979 hours remaining, 115.902344 MB of memory in use. ENERGY: 2397000 617.7404 1866.8661 1958.9169 107.4800 1.7462 -1099.0468 0.0000 0.0000 2705.5698 6159.2726 298.8377 3453.7028 6192.2645 297.5196 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: 9621.68, 0.00391423/step Wall: 9621.68, 0.00391423/step, 0.111773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2397200 641.7281 1816.8006 1946.2538 102.1978 3.2291 -1106.1091 0.0000 0.0000 2672.6376 6076.7381 295.2003 3404.1004 6108.8894 296.1442 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: 9622.47, 0.00391397/step Wall: 9622.47, 0.00391397/step, 0.111548 hours remaining, 115.902344 MB of memory in use. ENERGY: 2397400 681.9487 1840.3360 1958.2966 102.6395 3.9020 -1110.0189 0.0000 0.0000 2623.5934 6100.6974 289.7832 3477.1040 6130.6413 293.8090 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: 9623.25, 0.00390812/step Wall: 9623.25, 0.00390812/step, 0.111164 hours remaining, 115.902344 MB of memory in use. ENERGY: 2397600 636.8359 1824.1924 1959.2002 107.9375 2.5824 -1087.0647 0.0000 0.0000 2707.2715 6150.9553 299.0257 3443.6838 6185.1343 295.8894 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: 9624.03, 0.00391359/step Wall: 9624.03, 0.00391359/step, 0.111102 hours remaining, 115.902344 MB of memory in use. ENERGY: 2397800 647.3558 1826.6323 1982.4295 125.0662 1.5181 -1070.4544 0.0000 0.0000 2681.7768 6194.3244 296.2097 3512.5476 6227.9729 299.0345 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: 9624.81, 0.00391388/step Wall: 9624.81, 0.00391388/step, 0.110893 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2398000 659.7031 1827.0494 1963.8274 105.5465 2.8136 -1093.1131 0.0000 0.0000 2728.9978 6194.8246 301.4254 3465.8269 6228.4654 299.8579 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: 9625.6, 0.00391397/step Wall: 9625.6, 0.00391397/step, 0.110678 hours remaining, 115.902344 MB of memory in use. ENERGY: 2398200 672.7262 1860.7462 1956.4312 126.3857 2.0945 -1071.0785 0.0000 0.0000 2650.9474 6198.2528 292.8045 3547.3053 6228.5523 298.4976 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: 9626.38, 0.00390825/step Wall: 9626.38, 0.00390825/step, 0.110299 hours remaining, 115.902344 MB of memory in use. ENERGY: 2398400 611.8677 1869.2981 1954.9868 105.5871 2.0836 -1065.1441 0.0000 0.0000 2699.5688 6178.2480 298.1749 3478.6792 6209.8678 298.1665 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: 9627.16, 0.00391279/step Wall: 9627.16, 0.00391279/step, 0.11021 hours remaining, 115.902344 MB of memory in use. ENERGY: 2398600 639.7901 1827.6410 1972.9783 94.9396 2.9514 -1061.1943 0.0000 0.0000 2676.3374 6153.4435 295.6089 3477.1062 6185.1185 297.5087 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: 9627.94, 0.00391352/step Wall: 9627.94, 0.00391352/step, 0.110013 hours remaining, 115.902344 MB of memory in use. ENERGY: 2398800 668.0438 1875.3699 1939.9611 102.0117 3.8645 -1082.8765 0.0000 0.0000 2692.9873 6199.3618 297.4479 3506.3745 6230.2390 296.3482 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: 9628.73, 0.00391588/step Wall: 9628.73, 0.00391588/step, 0.109862 hours remaining, 115.902344 MB of memory in use. ENERGY: 2399000 663.3058 1860.1921 1929.7915 105.6306 3.4596 -1064.2768 0.0000 0.0000 2689.1372 6187.2400 297.0227 3498.1028 6219.2241 297.9918 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: 9629.51, 0.00391291/step Wall: 9629.51, 0.00391291/step, 0.109561 hours remaining, 115.902344 MB of memory in use. ENERGY: 2399200 644.6844 1938.7644 1960.8645 99.2809 2.3999 -1098.4789 0.0000 0.0000 2702.0869 6249.6019 298.4530 3547.5150 6280.8211 300.9440 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: 9630.29, 0.00390751/step Wall: 9630.29, 0.00390751/step, 0.109193 hours remaining, 115.902344 MB of memory in use. ENERGY: 2399400 666.1001 1805.8600 1953.0551 115.6633 1.3275 -1076.7609 0.0000 0.0000 2746.9731 6212.2182 303.4108 3465.2450 6245.5635 300.0418 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: 9631.07, 0.003913/step Wall: 9631.07, 0.003913/step, 0.109129 hours remaining, 115.902344 MB of memory in use. ENERGY: 2399600 644.9769 1861.4302 1942.1530 103.7519 1.9611 -1079.7276 0.0000 0.0000 2761.4741 6236.0195 305.0125 3474.5454 6270.4287 300.4572 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: 9631.86, 0.00391491/step Wall: 9631.86, 0.00391492/step, 0.108965 hours remaining, 115.902344 MB of memory in use. ENERGY: 2399800 657.3119 1856.8076 1946.3641 103.6901 2.0639 -1114.5856 0.0000 0.0000 2763.5472 6215.1990 305.2415 3451.6519 6249.5262 301.7103 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: 9632.64, 0.00391508/step Wall: 9632.64, 0.00391508/step, 0.108752 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2400000 617.2996 1867.7889 1955.9648 97.5156 3.3140 -1100.8689 0.0000 0.0000 2771.0789 6212.0929 306.0734 3441.0140 6249.7499 300.5730 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2400000 WRITING COORDINATES TO DCD FILE MD.1.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: 9633.46, 0.00410835/step Wall: 9633.46, 0.00410835/step, 0.113892 hours remaining, 115.902344 MB of memory in use. ENERGY: 2400200 647.2667 1888.0411 1954.3486 110.3257 1.9840 -1086.2321 0.0000 0.0000 2745.7077 6261.4417 303.2711 3515.7341 6296.5465 300.5445 LDB: ============= START OF LOAD BALANCING ============== 9636.16 LDB: ============== END OF LOAD BALANCING =============== 9636.16 LDB: =============== DONE WITH MIGRATION ================ 9636.16 LDB: ============= START OF LOAD BALANCING ============== 9636.55 LDB: ============== END OF LOAD BALANCING =============== 9636.55 LDB: =============== DONE WITH MIGRATION ================ 9636.55 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: 9634.24, 0.0039194/step Wall: 9634.24, 0.0039194/step, 0.108437 hours remaining, 115.902344 MB of memory in use. ENERGY: 2400400 663.5774 1922.8481 1934.5697 103.2089 1.8716 -1089.1252 0.0000 0.0000 2671.8773 6208.8278 295.1163 3536.9505 6240.0473 300.0495 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: 9635.03, 0.00391493/step Wall: 9635.03, 0.00391493/step, 0.108096 hours remaining, 115.902344 MB of memory in use. ENERGY: 2400600 659.2099 1832.8162 1952.1961 117.7429 1.4758 -1074.2618 0.0000 0.0000 2704.5252 6193.7043 298.7223 3489.1791 6226.7156 300.7541 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: 9635.81, 0.00391443/step Wall: 9635.81, 0.00391443/step, 0.107864 hours remaining, 115.902344 MB of memory in use. ENERGY: 2400800 627.0919 1868.2175 1941.2899 113.0863 1.9862 -1090.0582 0.0000 0.0000 2721.4092 6183.0228 300.5872 3461.6136 6215.4451 298.4705 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: 9636.59, 0.00391425/step Wall: 9636.59, 0.00391425/step, 0.107642 hours remaining, 115.902344 MB of memory in use. ENERGY: 2401000 643.9182 1875.1423 1953.3644 105.8422 1.1829 -1101.5089 0.0000 0.0000 2705.3952 6183.3363 298.8184 3477.9411 6216.1784 299.6043 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: 9637.37, 0.00390938/step Wall: 9637.37, 0.00390938/step, 0.107291 hours remaining, 115.902344 MB of memory in use. ENERGY: 2401200 682.5130 1867.1446 1968.9716 101.5339 2.1814 -1143.0515 0.0000 0.0000 2763.4260 6242.7190 305.2281 3479.2930 6278.3996 301.4648 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: 9638.16, 0.00393659/step Wall: 9638.16, 0.00393659/step, 0.107819 hours remaining, 115.902344 MB of memory in use. ENERGY: 2401400 655.7134 1895.6743 1955.8685 109.3689 2.5388 -1121.7659 0.0000 0.0000 2777.3819 6274.7798 306.7696 3497.3980 6309.4814 303.9957 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: 9638.94, 0.0039133/step Wall: 9638.94, 0.0039133/step, 0.106964 hours remaining, 115.902344 MB of memory in use. ENERGY: 2401600 649.5949 1907.8996 1953.1168 107.8607 2.3646 -1093.7869 0.0000 0.0000 2732.8435 6259.8931 301.8502 3527.0496 6290.7241 303.0451 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: 9639.73, 0.00391445/step Wall: 9639.73, 0.00391445/step, 0.106778 hours remaining, 115.902344 MB of memory in use. ENERGY: 2401800 629.8274 1842.8723 1945.2565 111.5752 4.0370 -1069.2073 0.0000 0.0000 2728.7035 6193.0645 301.3929 3464.3610 6228.2369 301.7159 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: 9640.51, 0.00391526/step Wall: 9640.51, 0.00391526/step, 0.106582 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2402000 684.1970 1851.5884 1947.6284 106.0069 4.9622 -1108.1168 0.0000 0.0000 2732.4242 6218.6904 301.8039 3486.2662 6255.9533 300.1588 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: 9641.29, 0.0039098/step Wall: 9641.29, 0.0039098/step, 0.106216 hours remaining, 115.902344 MB of memory in use. ENERGY: 2402200 673.6053 1814.0059 1965.5117 97.5505 3.2896 -1088.7638 0.0000 0.0000 2718.4512 6183.6504 300.2605 3465.1992 6218.5921 299.9958 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: 9642.08, 0.003914/step Wall: 9642.08, 0.00391399/step, 0.106113 hours remaining, 115.902344 MB of memory in use. ENERGY: 2402400 667.3890 1859.3379 1941.6791 99.3314 3.3365 -1094.0450 0.0000 0.0000 2722.9974 6200.0263 300.7626 3477.0289 6232.3403 298.7273 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: 9642.86, 0.00391774/step Wall: 9642.86, 0.00391775/step, 0.105997 hours remaining, 115.902344 MB of memory in use. ENERGY: 2402600 637.3854 1819.2277 1961.3656 110.5151 2.9707 -1082.4036 0.0000 0.0000 2703.5287 6152.5896 298.6123 3449.0609 6186.6874 297.2097 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: 9643.64, 0.00391539/step Wall: 9643.64, 0.00391539/step, 0.105716 hours remaining, 115.902344 MB of memory in use. ENERGY: 2402800 638.4567 1806.9607 1949.0317 102.5600 1.8622 -1111.2400 0.0000 0.0000 2743.3890 6131.0203 303.0150 3387.6313 6165.3602 297.8492 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: 9644.42, 0.00391066/step Wall: 9644.42, 0.00391066/step, 0.10537 hours remaining, 115.902344 MB of memory in use. ENERGY: 2403000 614.2082 1941.0622 1938.9341 101.9182 2.9517 -1123.4058 0.0000 0.0000 2734.5472 6210.2158 302.0384 3475.6686 6245.7568 299.0653 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: 9645.21, 0.00391418/step Wall: 9645.21, 0.00391418/step, 0.105248 hours remaining, 115.902344 MB of memory in use. ENERGY: 2403200 686.9981 1873.4390 1921.3032 106.9747 1.8036 -1107.6222 0.0000 0.0000 2746.8953 6229.7917 303.4022 3482.8964 6264.2397 301.9603 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: 9645.99, 0.00391475/step Wall: 9645.99, 0.00391475/step, 0.105046 hours remaining, 115.902344 MB of memory in use. ENERGY: 2403400 621.7220 1885.8590 1958.4859 95.1616 1.7674 -1046.0749 0.0000 0.0000 2807.1887 6324.1097 310.0618 3516.9210 6357.1065 304.1198 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: 9646.77, 0.00391629/step Wall: 9646.77, 0.00391629/step, 0.10487 hours remaining, 115.902344 MB of memory in use. ENERGY: 2403600 640.9907 1924.7577 1960.3854 102.8650 2.9509 -1087.0932 0.0000 0.0000 2784.5754 6329.4319 307.5641 3544.8564 6362.2134 305.9574 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: 9647.56, 0.00391595/step Wall: 9647.56, 0.00391595/step, 0.104643 hours remaining, 115.902344 MB of memory in use. ENERGY: 2403800 645.3702 1931.7297 1954.0151 117.1430 1.2285 -1069.3311 0.0000 0.0000 2799.9308 6380.0862 309.2602 3580.1555 6411.2846 308.7456 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: 9648.34, 0.00391019/step Wall: 9648.34, 0.00391018/step, 0.104271 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2404000 659.6112 1871.5546 1990.5328 106.9718 2.1699 -1071.4500 0.0000 0.0000 2831.6594 6391.0497 312.7647 3559.3903 6424.6066 310.1788 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: 9649.12, 0.00391532/step Wall: 9649.12, 0.00391533/step, 0.104191 hours remaining, 115.902344 MB of memory in use. ENERGY: 2404200 684.8443 1865.2883 2017.2527 96.1128 2.4892 -1077.8244 0.0000 0.0000 2769.9274 6358.0903 305.9462 3588.1629 6388.9911 308.7109 LDB: ============= START OF LOAD BALANCING ============== 9651.82 LDB: ============== END OF LOAD BALANCING =============== 9651.82 LDB: =============== DONE WITH MIGRATION ================ 9651.82 LDB: ============= START OF LOAD BALANCING ============== 9652.21 LDB: ============== END OF LOAD BALANCING =============== 9652.21 LDB: =============== DONE WITH MIGRATION ================ 9652.21 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: 9649.91, 0.00392052/step Wall: 9649.91, 0.00392052/step, 0.104112 hours remaining, 115.902344 MB of memory in use. ENERGY: 2404400 661.7340 1920.3380 1953.6017 114.0403 3.1254 -1072.9968 0.0000 0.0000 2746.7806 6326.6233 303.3896 3579.8427 6357.2846 306.4966 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: 9650.69, 0.00391686/step Wall: 9650.69, 0.00391686/step, 0.103797 hours remaining, 115.902344 MB of memory in use. ENERGY: 2404600 689.7891 1924.0101 1986.6033 105.0731 3.9794 -1110.7255 0.0000 0.0000 2735.6682 6334.3977 302.1622 3598.7295 6365.9990 306.4157 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: 9651.47, 0.00391009/step Wall: 9651.47, 0.00391009/step, 0.1034 hours remaining, 115.902344 MB of memory in use. ENERGY: 2404800 660.9230 1829.2268 1987.8213 114.7890 3.2379 -1063.3600 0.0000 0.0000 2766.4969 6299.1349 305.5673 3532.6380 6330.8712 306.7902 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: 9652.25, 0.00391457/step Wall: 9652.25, 0.00391457/step, 0.103301 hours remaining, 115.902344 MB of memory in use. ENERGY: 2405000 683.6189 1830.4593 2019.0573 108.8598 2.6881 -1100.9655 0.0000 0.0000 2748.5618 6292.2798 303.5863 3543.7179 6325.7462 304.8100 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: 9653.04, 0.00391626/step Wall: 9653.04, 0.00391626/step, 0.103128 hours remaining, 115.902344 MB of memory in use. ENERGY: 2405200 657.0968 1870.5706 1959.7979 102.1560 3.1559 -1102.4058 0.0000 0.0000 2750.7649 6241.1363 303.8296 3490.3714 6275.9085 303.6196 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: 9653.82, 0.00391576/step Wall: 9653.82, 0.00391576/step, 0.102897 hours remaining, 115.902344 MB of memory in use. ENERGY: 2405400 682.8398 1902.9768 1946.6208 104.1917 2.4389 -1066.7853 0.0000 0.0000 2692.5385 6264.8212 297.3984 3572.2826 6297.0179 300.2700 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: 9654.6, 0.00391725/step Wall: 9654.6, 0.00391725/step, 0.102719 hours remaining, 115.902344 MB of memory in use. ENERGY: 2405600 663.2030 1824.1414 1950.1682 98.6824 2.6104 -1052.4685 0.0000 0.0000 2802.0934 6288.4303 309.4990 3486.3368 6322.2609 302.1250 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: 9655.39, 0.00391071/step Wall: 9655.39, 0.0039107/step, 0.10233 hours remaining, 115.902344 MB of memory in use. ENERGY: 2405800 617.4653 1839.5999 1949.4547 102.9425 2.3751 -1037.5347 0.0000 0.0000 2829.9771 6304.2800 312.5789 3474.3029 6342.7682 303.4801 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: 9656.17, 0.00391558/step Wall: 9656.17, 0.00391558/step, 0.10224 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2406000 690.5754 1878.6322 1931.9274 116.6828 3.3148 -1031.5972 0.0000 0.0000 2769.9688 6359.5042 305.9508 3589.5353 6393.8734 305.6411 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: 9656.95, 0.00391688/step Wall: 9656.95, 0.00391688/step, 0.102056 hours remaining, 115.902344 MB of memory in use. ENERGY: 2406200 703.7163 1895.9862 1950.8067 100.7037 4.4780 -1071.5776 0.0000 0.0000 2751.4831 6335.5963 303.9090 3584.1132 6369.5926 307.9144 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: 9657.74, 0.00391709/step Wall: 9657.74, 0.00391708/step, 0.101844 hours remaining, 115.902344 MB of memory in use. ENERGY: 2406400 665.5438 1927.5803 1939.8555 107.4038 3.8031 -1046.6227 0.0000 0.0000 2768.1724 6365.7363 305.7523 3597.5639 6399.7981 305.5801 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: 9658.52, 0.00391045/step Wall: 9658.52, 0.00391046/step, 0.101455 hours remaining, 115.902344 MB of memory in use. ENERGY: 2406600 665.3300 1892.3855 1964.4651 104.8243 3.6447 -1058.4296 0.0000 0.0000 2782.8325 6355.0526 307.3716 3572.2201 6391.9139 307.9636 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: 9659.3, 0.00391581/step Wall: 9659.3, 0.00391581/step, 0.101376 hours remaining, 115.902344 MB of memory in use. ENERGY: 2406800 701.6293 1859.8277 1939.4672 111.9762 2.8460 -1057.3842 0.0000 0.0000 2770.4198 6328.7819 306.0006 3558.3621 6361.4243 303.9993 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: 9660.08, 0.00391524/step Wall: 9660.08, 0.00391523/step, 0.101143 hours remaining, 115.902344 MB of memory in use. ENERGY: 2407000 645.5814 1850.3083 1967.9182 108.9992 2.9401 -1036.8512 0.0000 0.0000 2741.5112 6280.4073 302.8076 3538.8961 6313.9271 305.0915 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: 9660.87, 0.00391722/step Wall: 9660.87, 0.00391723/step, 0.100977 hours remaining, 115.902344 MB of memory in use. ENERGY: 2407200 639.4681 1891.7795 1959.9767 94.3373 3.6023 -1067.8608 0.0000 0.0000 2679.6956 6200.9986 295.9798 3521.3030 6232.5152 300.3568 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: 9661.65, 0.0039156/step Wall: 9661.65, 0.0039156/step, 0.100718 hours remaining, 115.902344 MB of memory in use. ENERGY: 2407400 668.6895 1805.5933 1949.8909 126.1802 3.8145 -1051.7110 0.0000 0.0000 2700.1816 6202.6388 298.2426 3502.4573 6234.5938 300.8265 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: 9662.43, 0.00390953/step Wall: 9662.43, 0.00390953/step, 0.100344 hours remaining, 115.902344 MB of memory in use. ENERGY: 2407600 646.0330 1883.7292 1949.9496 107.2710 2.5181 -1073.7115 0.0000 0.0000 2704.8785 6220.6680 298.7614 3515.7895 6254.2709 300.2767 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: 9663.22, 0.0039167/step Wall: 9663.22, 0.0039167/step, 0.100311 hours remaining, 115.902344 MB of memory in use. ENERGY: 2407800 629.5796 1851.7068 1962.2559 107.7586 4.6452 -1069.7160 0.0000 0.0000 2729.0662 6215.2962 301.4330 3486.2300 6248.6416 300.2252 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: 9664, 0.00391662/step Wall: 9664, 0.00391662/step, 0.100092 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2408000 672.9868 1875.0796 1928.3593 99.0233 3.3392 -1061.4152 0.0000 0.0000 2666.8223 6184.1953 294.5580 3517.3730 6216.7745 299.4628 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: 9664.78, 0.00391743/step Wall: 9664.78, 0.00391742/step, 0.0998943 hours remaining, 115.902344 MB of memory in use. ENERGY: 2408200 682.5840 1800.8434 1955.2525 116.1731 2.7345 -1068.5657 0.0000 0.0000 2713.0506 6202.0725 299.6640 3489.0219 6236.2734 297.5854 LDB: ============= START OF LOAD BALANCING ============== 9667.48 LDB: ============== END OF LOAD BALANCING =============== 9667.48 LDB: =============== DONE WITH MIGRATION ================ 9667.48 LDB: ============= START OF LOAD BALANCING ============== 9667.88 LDB: ============== END OF LOAD BALANCING =============== 9667.88 LDB: =============== DONE WITH MIGRATION ================ 9667.88 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: 9665.57, 0.00392035/step Wall: 9665.57, 0.00392035/step, 0.0997513 hours remaining, 115.902344 MB of memory in use. ENERGY: 2408400 638.8866 1812.1438 1944.9049 115.1729 3.5123 -1015.0597 0.0000 0.0000 2703.2062 6202.7670 298.5767 3499.5608 6234.4553 298.7868 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: 9666.35, 0.00390985/step Wall: 9666.35, 0.00390985/step, 0.0992668 hours remaining, 115.902344 MB of memory in use. ENERGY: 2408600 647.7623 1820.1088 1962.5244 103.0576 1.4981 -1070.9400 0.0000 0.0000 2740.4879 6204.4992 302.6945 3464.0113 6238.2192 299.8415 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: 9667.13, 0.00391497/step Wall: 9667.13, 0.00391497/step, 0.0991792 hours remaining, 115.902344 MB of memory in use. ENERGY: 2408800 613.0477 1842.7924 1960.2131 113.8676 1.9755 -1053.8194 0.0000 0.0000 2715.3647 6193.4417 299.9196 3478.0770 6229.4729 299.1204 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: 9667.91, 0.00391472/step Wall: 9667.91, 0.00391472/step, 0.0989553 hours remaining, 115.902344 MB of memory in use. ENERGY: 2409000 660.1351 1807.5925 1959.9402 105.0707 2.5054 -1044.1657 0.0000 0.0000 2701.4543 6192.5324 298.3831 3491.0782 6226.9228 300.0536 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: 9668.7, 0.00391762/step Wall: 9668.7, 0.00391762/step, 0.0988111 hours remaining, 115.902344 MB of memory in use. ENERGY: 2409200 648.0011 1842.2554 1931.8098 104.8148 3.7487 -1033.4307 0.0000 0.0000 2727.5075 6224.7065 301.2608 3497.1991 6258.2788 299.9581 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: 9669.48, 0.00390784/step Wall: 9669.48, 0.00390784/step, 0.0983472 hours remaining, 115.902344 MB of memory in use. ENERGY: 2409400 639.6910 1878.1272 1949.8991 108.3921 4.0552 -1100.2520 0.0000 0.0000 2723.4093 6203.3219 300.8081 3479.9126 6234.9221 299.4527 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: 9670.26, 0.0039147/step Wall: 9670.26, 0.0039147/step, 0.0983026 hours remaining, 115.902344 MB of memory in use. ENERGY: 2409600 702.0314 1835.6637 1954.2725 109.9437 3.0874 -1062.7371 0.0000 0.0000 2724.1345 6266.3962 300.8882 3542.2617 6299.8865 301.2661 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: 9671.05, 0.00392609/step Wall: 9671.05, 0.00392609/step, 0.0983705 hours remaining, 115.902344 MB of memory in use. ENERGY: 2409800 673.7832 1852.4806 1963.4146 115.2151 2.7251 -1070.5260 0.0000 0.0000 2746.6540 6283.7466 303.3756 3537.0925 6318.5988 303.0101 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: 9671.83, 0.00391754/step Wall: 9671.83, 0.00391754/step, 0.0979385 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2410000 659.5735 1878.1640 1965.8932 102.3101 3.4130 -1065.5233 0.0000 0.0000 2713.6010 6257.4315 299.7248 3543.8305 6285.0447 302.7946 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2410000 WRITING COORDINATES TO DCD FILE MD.1.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: 9672.65, 0.0040926/step Wall: 9672.65, 0.0040926/step, 0.102088 hours remaining, 115.902344 MB of memory in use. ENERGY: 2410200 636.7650 1826.7819 1964.0039 99.7449 3.4248 -1048.6633 0.0000 0.0000 2757.3655 6239.4228 304.5587 3482.0573 6272.4683 301.8145 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: 9673.43, 0.00390867/step Wall: 9673.43, 0.00390867/step, 0.0972823 hours remaining, 115.902344 MB of memory in use. ENERGY: 2410400 633.5713 1871.9380 1966.6796 108.3426 3.1831 -1082.7593 0.0000 0.0000 2707.8441 6208.7993 299.0889 3500.9553 6243.9546 299.4247 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: 9674.21, 0.00391514/step Wall: 9674.21, 0.00391514/step, 0.0972261 hours remaining, 115.902344 MB of memory in use. ENERGY: 2410600 662.0588 1866.9111 1947.1787 124.1063 2.3148 -1096.9260 0.0000 0.0000 2717.7661 6223.4099 300.1848 3505.6438 6253.8029 298.3983 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: 9675, 0.0039177/step Wall: 9675, 0.0039177/step, 0.097072 hours remaining, 115.902344 MB of memory in use. ENERGY: 2410800 644.8174 1880.8630 1960.4829 105.4030 1.9065 -1072.2123 0.0000 0.0000 2694.6945 6215.9550 297.6365 3521.2605 6246.8100 300.1910 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: 9675.78, 0.00391501/step Wall: 9675.78, 0.00391501/step, 0.0967878 hours remaining, 115.902344 MB of memory in use. ENERGY: 2411000 634.2632 1866.8050 1934.4189 119.9377 3.2437 -1045.8829 0.0000 0.0000 2704.3461 6217.1317 298.7026 3512.7856 6248.9695 298.9555 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: 9676.56, 0.00391587/step Wall: 9676.56, 0.00391587/step, 0.0965916 hours remaining, 115.902344 MB of memory in use. ENERGY: 2411200 643.6219 1837.4074 1933.1250 104.3595 2.9902 -1053.8315 0.0000 0.0000 2734.7478 6202.4203 302.0605 3467.6725 6234.9867 299.8628 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: 9677.35, 0.00390821/step Wall: 9677.35, 0.00390821/step, 0.0961853 hours remaining, 115.902344 MB of memory in use. ENERGY: 2411400 643.0099 1847.6351 1957.4268 110.6580 1.8364 -1044.2301 0.0000 0.0000 2709.0600 6225.3960 299.2232 3516.3360 6261.0114 298.2251 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: 9678.13, 0.00392569/step Wall: 9678.13, 0.00392569/step, 0.0963975 hours remaining, 115.902344 MB of memory in use. ENERGY: 2411600 632.9297 1878.4309 1952.6277 104.0538 2.4384 -1083.6918 0.0000 0.0000 2728.5335 6215.3222 301.3741 3486.7887 6250.6576 299.2936 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: 9678.91, 0.00391478/step Wall: 9678.91, 0.00391478/step, 0.0959121 hours remaining, 115.902344 MB of memory in use. ENERGY: 2411800 647.8434 1839.6386 1962.6832 125.1203 3.6732 -1089.9677 0.0000 0.0000 2734.8922 6223.8832 302.0765 3488.9910 6257.0936 300.5265 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: 9679.7, 0.0039147/step Wall: 9679.7, 0.0039147/step, 0.0956928 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2412000 643.1772 1846.1588 1959.4607 118.0099 3.1346 -1097.2596 0.0000 0.0000 2719.9394 6192.6209 300.4249 3472.6816 6226.9522 298.4000 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: 9680.48, 0.00390885/step Wall: 9680.48, 0.00390885/step, 0.0953324 hours remaining, 115.902344 MB of memory in use. ENERGY: 2412200 652.5497 1823.9226 1986.8420 110.0879 3.8771 -1069.6290 0.0000 0.0000 2711.4217 6219.0721 299.4841 3507.6504 6252.9226 299.0991 LDB: ============= START OF LOAD BALANCING ============== 9683.18 LDB: ============== END OF LOAD BALANCING =============== 9683.18 LDB: =============== DONE WITH MIGRATION ================ 9683.18 LDB: ============= START OF LOAD BALANCING ============== 9683.57 LDB: ============== END OF LOAD BALANCING =============== 9683.57 LDB: =============== DONE WITH MIGRATION ================ 9683.57 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: 9681.26, 0.00391792/step Wall: 9681.26, 0.00391792/step, 0.0953361 hours remaining, 115.902344 MB of memory in use. ENERGY: 2412400 666.0332 1875.8936 1992.1169 104.2323 4.3025 -1094.5360 0.0000 0.0000 2720.9037 6268.9462 300.5314 3548.0425 6303.2847 299.7493 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: 9682.05, 0.00391462/step Wall: 9682.05, 0.00391462/step, 0.0950383 hours remaining, 115.902344 MB of memory in use. ENERGY: 2412600 684.6627 1884.9908 1973.4091 112.1134 3.9979 -1067.5879 0.0000 0.0000 2733.6626 6325.2487 301.9407 3591.5861 6358.6607 301.9947 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: 9682.83, 0.00391619/step Wall: 9682.83, 0.00391619/step, 0.0948588 hours remaining, 115.902344 MB of memory in use. ENERGY: 2412800 687.2359 1891.1705 1979.8132 116.9108 3.0423 -1065.8598 0.0000 0.0000 2709.7737 6322.0865 299.3021 3612.3128 6355.8994 304.5652 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: 9683.61, 0.00391353/step Wall: 9683.61, 0.00391353/step, 0.0945769 hours remaining, 115.902344 MB of memory in use. ENERGY: 2413000 695.2230 1841.6766 1963.9787 92.0889 2.2860 -1036.2008 0.0000 0.0000 2722.1674 6281.2197 300.6710 3559.0522 6314.5882 304.5718 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: 9684.39, 0.00390893/step Wall: 9684.39, 0.00390893/step, 0.0942486 hours remaining, 115.902344 MB of memory in use. ENERGY: 2413200 669.8094 1867.6203 1958.7914 105.7995 2.7536 -1093.0599 0.0000 0.0000 2778.4983 6290.2123 306.8929 3511.7141 6324.0242 302.1875 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: 9685.18, 0.00391267/step Wall: 9685.18, 0.00391267/step, 0.0941215 hours remaining, 115.902344 MB of memory in use. ENERGY: 2413400 661.0278 1858.2442 1965.8321 110.4860 1.4424 -1102.4435 0.0000 0.0000 2748.7529 6243.3420 303.6074 3494.5890 6278.6804 303.1802 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: 9685.96, 0.00391611/step Wall: 9685.96, 0.00391611/step, 0.0939865 hours remaining, 115.902344 MB of memory in use. ENERGY: 2413600 686.0868 1884.9565 1973.2165 107.2944 2.5806 -1102.7227 0.0000 0.0000 2732.6918 6284.1040 301.8334 3551.4121 6317.8115 303.4806 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: 9686.74, 0.00391501/step Wall: 9686.74, 0.00391501/step, 0.0937428 hours remaining, 115.902344 MB of memory in use. ENERGY: 2413800 650.1534 1882.7169 1984.7103 92.8380 3.5158 -1085.6826 0.0000 0.0000 2765.2320 6293.4838 305.4276 3528.2518 6326.2746 302.8846 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: 9687.52, 0.00390821/step Wall: 9687.52, 0.00390821/step, 0.0933628 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2414000 644.0636 1867.4125 1999.7950 103.1523 3.0189 -1119.8188 0.0000 0.0000 2727.6704 6225.2939 301.2788 3497.6234 6260.1015 302.4140 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: 9688.31, 0.00391636/step Wall: 9688.31, 0.00391636/step, 0.0933399 hours remaining, 115.902344 MB of memory in use. ENERGY: 2414200 655.8984 1887.3370 1946.3537 96.7153 3.2595 -1093.5652 0.0000 0.0000 2721.2549 6217.2535 300.5702 3495.9987 6249.5156 299.2456 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: 9689.09, 0.00391568/step Wall: 9689.09, 0.00391568/step, 0.0931061 hours remaining, 115.902344 MB of memory in use. ENERGY: 2414400 662.1167 1823.4637 1955.5818 117.4416 2.5220 -1055.6601 0.0000 0.0000 2724.5516 6230.0172 300.9343 3505.4656 6263.6482 301.4882 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: 9689.87, 0.00391667/step Wall: 9689.87, 0.00391667/step, 0.0929122 hours remaining, 115.902344 MB of memory in use. ENERGY: 2414600 658.6447 1827.8181 1953.5149 110.2254 3.4801 -1104.0954 0.0000 0.0000 2664.1703 6113.7581 294.2650 3449.5878 6146.5759 296.6239 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: 9690.66, 0.0039165/step Wall: 9690.66, 0.0039165/step, 0.0926905 hours remaining, 115.902344 MB of memory in use. ENERGY: 2414800 623.7203 1811.6253 1967.5203 104.4685 2.9131 -1059.7308 0.0000 0.0000 2669.2194 6119.7359 294.8227 3450.5166 6152.9537 295.3500 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: 9691.44, 0.00390879/step Wall: 9691.44, 0.00390879/step, 0.0922909 hours remaining, 115.902344 MB of memory in use. ENERGY: 2415000 644.2962 1852.7962 1965.7832 106.0532 2.2922 -1097.9334 0.0000 0.0000 2648.2660 6121.5536 292.5084 3473.2876 6154.9312 294.1135 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: 9692.22, 0.0039137/step Wall: 9692.22, 0.0039137/step, 0.0921895 hours remaining, 115.902344 MB of memory in use. ENERGY: 2415200 636.4906 1752.7910 1980.8830 101.8102 1.3492 -1085.8536 0.0000 0.0000 2736.7759 6124.2463 302.2845 3387.4705 6158.7408 294.4648 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: 9693, 0.0039159/step Wall: 9693, 0.0039159/step, 0.0920235 hours remaining, 115.902344 MB of memory in use. ENERGY: 2415400 656.2133 1869.6991 1951.2002 106.7979 1.9611 -1098.4858 0.0000 0.0000 2663.2178 6150.6036 294.1598 3487.3858 6180.7009 298.2447 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: 9693.79, 0.00391518/step Wall: 9693.79, 0.00391518/step, 0.0917893 hours remaining, 115.902344 MB of memory in use. ENERGY: 2415600 645.9802 1843.1290 1947.9264 108.8295 2.3294 -1081.0449 0.0000 0.0000 2695.6553 6162.8048 297.7426 3467.1496 6197.0137 297.6985 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: 9694.57, 0.00390937/step Wall: 9694.57, 0.00390937/step, 0.0914358 hours remaining, 115.902344 MB of memory in use. ENERGY: 2415800 655.1546 1822.0361 1951.7537 99.5028 2.1585 -1083.4128 0.0000 0.0000 2686.8213 6134.0141 296.7669 3447.1928 6166.3320 298.2039 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: 9695.35, 0.00391612/step Wall: 9695.35, 0.00391612/step, 0.0913761 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2416000 666.3464 1851.6362 1941.8337 96.0174 2.2216 -1112.9466 0.0000 0.0000 2704.8212 6149.9300 298.7550 3445.1087 6183.4805 297.2769 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: 9696.14, 0.00391414/step Wall: 9696.14, 0.00391414/step, 0.0911124 hours remaining, 115.902344 MB of memory in use. ENERGY: 2416200 638.4238 1833.6726 1931.2199 115.7079 2.9254 -1076.8558 0.0000 0.0000 2688.6936 6133.7875 296.9737 3445.0938 6167.1870 295.3439 LDB: ============= START OF LOAD BALANCING ============== 9698.84 LDB: ============== END OF LOAD BALANCING =============== 9698.84 LDB: =============== DONE WITH MIGRATION ================ 9698.84 LDB: ============= START OF LOAD BALANCING ============== 9699.23 LDB: ============== END OF LOAD BALANCING =============== 9699.23 LDB: =============== DONE WITH MIGRATION ================ 9699.23 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: 9696.92, 0.00392165/step Wall: 9696.92, 0.00392165/step, 0.0910694 hours remaining, 115.902344 MB of memory in use. ENERGY: 2416400 663.7880 1814.2402 1962.2726 97.0466 4.0568 -1094.7698 0.0000 0.0000 2661.3740 6108.0083 293.9562 3446.6343 6140.4172 295.4886 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: 9697.7, 0.00391597/step Wall: 9697.7, 0.00391597/step, 0.0907199 hours remaining, 115.902344 MB of memory in use. ENERGY: 2416600 632.1053 1797.9739 1979.7483 102.2118 1.9819 -1100.0298 0.0000 0.0000 2723.9375 6137.9289 300.8665 3413.9914 6172.5135 296.4113 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: 9698.48, 0.00390875/step Wall: 9698.48, 0.00390875/step, 0.0903357 hours remaining, 115.902344 MB of memory in use. ENERGY: 2416800 619.9420 1863.7778 1932.2657 113.2173 3.7498 -1067.6185 0.0000 0.0000 2666.8218 6132.1559 294.5579 3465.3341 6161.8546 295.6027 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: 9699.27, 0.00391407/step Wall: 9699.27, 0.00391407/step, 0.0902412 hours remaining, 115.902344 MB of memory in use. ENERGY: 2417000 646.0152 1828.5623 1955.2757 93.6076 2.1534 -1085.9938 0.0000 0.0000 2706.9727 6146.5930 298.9927 3439.6204 6180.4486 296.8810 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: 9700.05, 0.00391535/step Wall: 9700.05, 0.00391535/step, 0.0900531 hours remaining, 115.902344 MB of memory in use. ENERGY: 2417200 638.1157 1830.1674 1954.3292 102.2612 2.2773 -1082.7621 0.0000 0.0000 2723.1153 6167.5040 300.7757 3444.3887 6200.4007 296.6099 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: 9700.83, 0.00391518/step Wall: 9700.83, 0.00391518/step, 0.0898316 hours remaining, 115.902344 MB of memory in use. ENERGY: 2417400 638.2272 1836.2549 1952.8558 106.6329 2.8251 -1107.7610 0.0000 0.0000 2691.3257 6120.3606 297.2644 3429.0349 6151.7638 297.4380 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: 9701.62, 0.00391575/step Wall: 9701.62, 0.00391575/step, 0.0896273 hours remaining, 115.902344 MB of memory in use. ENERGY: 2417600 629.0050 1785.7515 1957.7879 102.0280 1.1262 -1042.8091 0.0000 0.0000 2707.2303 6140.1198 299.0211 3432.8895 6173.2788 296.5480 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: 9702.4, 0.00390956/step Wall: 9702.4, 0.00390956/step, 0.0892682 hours remaining, 115.902344 MB of memory in use. ENERGY: 2417800 644.4015 1815.2153 1932.4878 97.9732 3.2177 -1102.7608 0.0000 0.0000 2697.8670 6088.4017 297.9869 3390.5347 6122.4536 294.1020 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: 9703.18, 0.00391867/step Wall: 9703.18, 0.00391867/step, 0.0892587 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2418000 635.7411 1843.6521 1945.0696 94.0821 2.6245 -1081.9348 0.0000 0.0000 2717.2088 6156.4434 300.1233 3439.2346 6190.2407 295.8832 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: 9703.97, 0.00391679/step Wall: 9703.97, 0.00391679/step, 0.0889982 hours remaining, 115.902344 MB of memory in use. ENERGY: 2418200 660.0882 1799.2697 1938.5232 109.5995 3.9345 -1054.6330 0.0000 0.0000 2695.3167 6152.0989 297.7052 3456.7822 6183.2856 297.3811 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: 9704.75, 0.00391624/step Wall: 9704.75, 0.00391624/step, 0.0887681 hours remaining, 115.902344 MB of memory in use. ENERGY: 2418400 638.8218 1812.6301 1962.5784 114.5795 2.2927 -1061.7760 0.0000 0.0000 2680.0200 6149.1465 296.0157 3469.1265 6179.7934 296.5179 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: 9705.53, 0.00390825/step Wall: 9705.53, 0.00390825/step, 0.0883698 hours remaining, 115.902344 MB of memory in use. ENERGY: 2418600 651.9734 1846.2546 1967.7340 116.9925 3.0779 -1091.0670 0.0000 0.0000 2666.0220 6160.9875 294.4696 3494.9655 6190.9272 296.8332 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: 9706.31, 0.00391571/step Wall: 9706.31, 0.00391571/step, 0.088321 hours remaining, 115.902344 MB of memory in use. ENERGY: 2418800 660.8560 1842.1436 1941.7171 97.9910 4.2636 -1091.4943 0.0000 0.0000 2675.6298 6131.1067 295.5308 3455.4769 6162.4731 296.8758 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: 9707.1, 0.00391551/step Wall: 9707.1, 0.00391551/step, 0.0880989 hours remaining, 115.902344 MB of memory in use. ENERGY: 2419000 665.7980 1834.6488 1964.0778 101.0259 2.3806 -1081.7593 0.0000 0.0000 2719.3169 6205.4888 300.3561 3486.1718 6240.1090 297.9193 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: 9707.88, 0.00391544/step Wall: 9707.88, 0.00391544/step, 0.08788 hours remaining, 115.902344 MB of memory in use. ENERGY: 2419200 652.2233 1801.6651 1972.2108 102.4168 2.5855 -1049.1410 0.0000 0.0000 2716.7371 6198.6976 300.0712 3481.9606 6228.5123 298.8845 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: 9708.66, 0.00391645/step Wall: 9708.66, 0.00391645/step, 0.087685 hours remaining, 115.902344 MB of memory in use. ENERGY: 2419400 655.6973 1862.5323 1953.3920 115.5094 4.3720 -1054.2589 0.0000 0.0000 2642.9875 6180.2317 291.9253 3537.2441 6213.3795 297.1751 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: 9709.44, 0.00390886/step Wall: 9709.44, 0.00390886/step, 0.0872979 hours remaining, 115.902344 MB of memory in use. ENERGY: 2419600 679.6905 1844.9491 1952.8990 104.2817 2.3910 -1101.3648 0.0000 0.0000 2684.6126 6167.4592 296.5229 3482.8466 6201.4781 296.8392 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: 9710.23, 0.00391564/step Wall: 9710.23, 0.00391564/step, 0.0872317 hours remaining, 115.902344 MB of memory in use. ENERGY: 2419800 642.9652 1846.3957 1947.2148 115.6059 2.3609 -1073.2363 0.0000 0.0000 2701.3442 6182.6504 298.3710 3481.3062 6217.2731 297.3980 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: 9711.01, 0.00391815/step Wall: 9711.01, 0.00391815/step, 0.0870701 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2420000 641.0096 1928.2087 1958.9937 102.7365 3.4961 -1079.8286 0.0000 0.0000 2675.7575 6230.3735 295.5449 3554.6159 6259.3071 299.5268 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2420000 WRITING COORDINATES TO DCD FILE MD.1.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: 9711.82, 0.00405501/step Wall: 9711.82, 0.00405501/step, 0.0898861 hours remaining, 115.902344 MB of memory in use. ENERGY: 2420200 651.0939 1875.4904 1966.0605 112.3804 2.7178 -1074.6405 0.0000 0.0000 2686.4843 6219.5869 296.7297 3533.1025 6252.0848 300.3306 LDB: ============= START OF LOAD BALANCING ============== 9714.52 LDB: ============== END OF LOAD BALANCING =============== 9714.52 LDB: =============== DONE WITH MIGRATION ================ 9714.52 LDB: ============= START OF LOAD BALANCING ============== 9714.91 LDB: ============== END OF LOAD BALANCING =============== 9714.91 LDB: =============== DONE WITH MIGRATION ================ 9714.91 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: 9712.61, 0.00391421/step Wall: 9712.61, 0.00391421/step, 0.0865475 hours remaining, 115.902344 MB of memory in use. ENERGY: 2420400 672.7836 1843.5276 1972.9859 110.1933 2.7436 -1105.7924 0.0000 0.0000 2663.5963 6160.0377 294.2016 3496.4415 6189.8531 298.5957 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: 9713.39, 0.00391701/step Wall: 9713.39, 0.00391701/step, 0.0863917 hours remaining, 115.902344 MB of memory in use. ENERGY: 2420600 629.4533 1831.6939 1953.8106 99.3125 3.5310 -1079.8137 0.0000 0.0000 2706.3014 6144.2889 298.9185 3437.9876 6178.4597 297.5198 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: 9714.17, 0.00391687/step Wall: 9714.17, 0.00391687/step, 0.0861711 hours remaining, 115.902344 MB of memory in use. ENERGY: 2420800 639.4284 1861.9851 1958.0859 109.2400 2.2317 -1099.9733 0.0000 0.0000 2683.5160 6154.5137 296.4018 3470.9978 6188.5826 295.4029 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: 9714.96, 0.00391808/step Wall: 9714.96, 0.00391808/step, 0.08598 hours remaining, 115.902344 MB of memory in use. ENERGY: 2421000 648.4880 1845.6207 1957.3825 99.3057 2.6355 -1079.3312 0.0000 0.0000 2712.7883 6186.8895 299.6350 3474.1012 6221.4221 298.0338 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: 9715.74, 0.00391897/step Wall: 9715.74, 0.00391897/step, 0.0857819 hours remaining, 115.902344 MB of memory in use. ENERGY: 2421200 648.2268 1836.0071 1939.4233 112.2767 3.5552 -1061.8385 0.0000 0.0000 2752.6950 6230.3455 304.0428 3477.6505 6266.2120 299.1612 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: 9716.52, 0.00391211/step Wall: 9716.52, 0.00391211/step, 0.0854143 hours remaining, 115.902344 MB of memory in use. ENERGY: 2421400 662.2509 1860.9954 1961.9770 104.6974 2.7292 -1099.9292 0.0000 0.0000 2730.4422 6223.1629 301.5849 3492.7207 6255.3367 300.2298 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: 9717.31, 0.00391694/step Wall: 9717.31, 0.00391694/step, 0.0853022 hours remaining, 115.902344 MB of memory in use. ENERGY: 2421600 654.4853 1877.7264 1983.6784 117.2896 3.1544 -1062.9587 0.0000 0.0000 2690.8709 6264.2463 297.2142 3573.3754 6296.5173 299.8496 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: 9718.09, 0.00392452/step Wall: 9718.09, 0.00392452/step, 0.0852494 hours remaining, 115.902344 MB of memory in use. ENERGY: 2421800 656.1124 1876.8573 1981.2432 102.4616 3.3144 -1094.8088 0.0000 0.0000 2715.4834 6240.6635 299.9327 3525.1801 6270.8567 301.7175 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: 9718.87, 0.00391742/step Wall: 9718.87, 0.00391742/step, 0.0848773 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2422000 677.1364 1830.2308 1963.3620 111.1274 2.1872 -1082.5260 0.0000 0.0000 2757.4644 6258.9822 304.5696 3501.5178 6293.1282 302.6984 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: 9719.66, 0.00391527/step Wall: 9719.66, 0.00391527/step, 0.0846133 hours remaining, 115.902344 MB of memory in use. ENERGY: 2422200 662.4820 1881.5162 1961.2841 103.2335 0.4980 -1113.0073 0.0000 0.0000 2722.2025 6218.2090 300.6749 3496.0065 6252.2182 302.0762 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: 9720.44, 0.00391222/step Wall: 9720.44, 0.00391222/step, 0.0843302 hours remaining, 115.902344 MB of memory in use. ENERGY: 2422400 654.9803 1833.5263 1946.4077 119.4390 0.1156 -1077.8701 0.0000 0.0000 2773.2202 6249.8190 306.3099 3476.5988 6284.8130 300.3601 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: 9721.22, 0.00391618/step Wall: 9721.22, 0.00391618/step, 0.0841978 hours remaining, 115.902344 MB of memory in use. ENERGY: 2422600 657.9297 1872.6703 1966.3723 111.8367 0.8094 -1043.8267 0.0000 0.0000 2716.8562 6282.6479 300.0843 3565.7916 6315.8597 302.4678 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: 9722.01, 0.00391625/step Wall: 9722.01, 0.00391625/step, 0.0839818 hours remaining, 115.902344 MB of memory in use. ENERGY: 2422800 616.2606 1881.6077 1974.1127 101.0654 1.1032 -1065.2713 0.0000 0.0000 2755.2263 6264.1044 304.3224 3508.8782 6296.8423 303.2763 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: 9722.79, 0.00391641/step Wall: 9722.79, 0.00391641/step, 0.0837676 hours remaining, 115.902344 MB of memory in use. ENERGY: 2423000 633.1431 1871.6642 1994.7982 112.3586 1.8688 -1066.0791 0.0000 0.0000 2737.1648 6284.9187 302.3275 3547.7539 6319.5292 302.9919 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: 9723.57, 0.00391102/step Wall: 9723.57, 0.00391102/step, 0.0834351 hours remaining, 115.902344 MB of memory in use. ENERGY: 2423200 645.4766 1871.5183 1959.0739 107.1120 1.4978 -1070.5594 0.0000 0.0000 2756.3487 6270.4679 304.4464 3514.1192 6307.7042 304.6133 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: 9724.35, 0.00391677/step Wall: 9724.35, 0.00391677/step, 0.0833403 hours remaining, 115.902344 MB of memory in use. ENERGY: 2423400 656.3056 1856.0199 1999.1887 115.2473 0.7482 -1064.6699 0.0000 0.0000 2715.5228 6278.3625 299.9371 3562.8397 6312.4883 303.1864 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: 9725.14, 0.00391453/step Wall: 9725.14, 0.00391453/step, 0.0830749 hours remaining, 115.902344 MB of memory in use. ENERGY: 2423600 660.7806 1860.1267 1966.0979 108.8027 1.3408 -1072.8343 0.0000 0.0000 2723.1000 6247.4145 300.7740 3524.3145 6281.3614 302.7522 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: 9725.92, 0.00391452/step Wall: 9725.92, 0.00391452/step, 0.0828574 hours remaining, 115.902344 MB of memory in use. ENERGY: 2423800 636.1623 1855.1817 1964.9043 107.6474 1.4148 -1066.3331 0.0000 0.0000 2694.6104 6193.5879 297.6272 3498.9775 6228.5590 299.6957 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: 9726.7, 0.00391568/step Wall: 9726.7, 0.00391568/step, 0.0826644 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2424000 649.3832 1841.7665 1935.2130 98.8196 1.1277 -1072.0428 0.0000 0.0000 2740.5542 6194.8215 302.7018 3454.2673 6228.5365 298.2259 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: 9727.49, 0.00390928/step Wall: 9727.49, 0.00390927/step, 0.0823119 hours remaining, 115.902344 MB of memory in use. ENERGY: 2424200 647.1514 1879.2677 1950.8505 96.8975 2.2454 -1112.6413 0.0000 0.0000 2700.8810 6164.6523 298.3198 3463.7712 6197.6902 299.0167 LDB: ============= START OF LOAD BALANCING ============== 9730.19 LDB: ============== END OF LOAD BALANCING =============== 9730.19 LDB: =============== DONE WITH MIGRATION ================ 9730.19 LDB: ============= START OF LOAD BALANCING ============== 9730.58 LDB: ============== END OF LOAD BALANCING =============== 9730.58 LDB: =============== DONE WITH MIGRATION ================ 9730.58 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: 9728.27, 0.0039192/step Wall: 9728.27, 0.00391921/step, 0.0823034 hours remaining, 115.902344 MB of memory in use. ENERGY: 2424400 640.2468 1857.9768 1953.3813 115.7331 1.5406 -1094.2714 0.0000 0.0000 2699.7130 6174.3202 298.1908 3474.6072 6206.8383 297.6869 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: 9729.05, 0.00391517/step Wall: 9729.05, 0.00391517/step, 0.0820011 hours remaining, 115.902344 MB of memory in use. ENERGY: 2424600 653.8974 1827.2232 1971.2441 107.3221 1.3793 -1099.5841 0.0000 0.0000 2734.1904 6195.6725 301.9989 3461.4821 6229.8126 298.3624 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: 9729.84, 0.00391476/step Wall: 9729.84, 0.00391476/step, 0.081775 hours remaining, 115.902344 MB of memory in use. ENERGY: 2424800 641.2979 1868.6531 1948.6138 106.3247 1.0364 -1071.3912 0.0000 0.0000 2710.6161 6205.1508 299.3951 3494.5347 6236.4129 300.3521 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: 9730.62, 0.00391365/step Wall: 9730.62, 0.00391365/step, 0.0815344 hours remaining, 115.902344 MB of memory in use. ENERGY: 2425000 608.0236 1924.5042 1950.3725 106.0549 1.9134 -1077.8909 0.0000 0.0000 2686.7091 6199.6868 296.7545 3512.9777 6233.7801 300.5538 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: 9731.4, 0.00393482/step Wall: 9731.4, 0.00393482/step, 0.0817568 hours remaining, 115.902344 MB of memory in use. ENERGY: 2425200 621.6427 1913.3471 1952.3430 111.2239 2.0964 -1084.7320 0.0000 0.0000 2685.5939 6201.5150 296.6313 3515.9210 6232.8642 299.9563 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: 9732.19, 0.00391697/step Wall: 9732.19, 0.00391697/step, 0.0811682 hours remaining, 115.902344 MB of memory in use. ENERGY: 2425400 641.6716 1849.9163 1961.1187 106.6897 1.3041 -1096.4764 0.0000 0.0000 2751.6815 6215.9054 303.9309 3464.2239 6249.9912 299.6177 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: 9732.97, 0.00391544/step Wall: 9732.97, 0.00391544/step, 0.080919 hours remaining, 115.902344 MB of memory in use. ENERGY: 2425600 663.0644 1892.5329 1955.8688 101.9877 1.2000 -1121.3513 0.0000 0.0000 2731.2528 6224.5554 301.6745 3493.3025 6257.6914 300.3035 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: 9733.75, 0.00391514/step Wall: 9733.75, 0.00391514/step, 0.0806954 hours remaining, 115.902344 MB of memory in use. ENERGY: 2425800 628.8824 1887.2713 1922.0960 103.0696 2.0642 -1092.8152 0.0000 0.0000 2761.8273 6212.3955 305.0515 3450.5682 6246.8901 299.4017 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: 9734.54, 0.00390944/step Wall: 9734.54, 0.00390944/step, 0.0803607 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2426000 664.5181 1787.1099 1978.8236 100.4472 2.2414 -1087.2988 0.0000 0.0000 2685.1284 6130.9697 296.5799 3445.8413 6164.1479 297.0199 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: 9735.32, 0.00391431/step Wall: 9735.32, 0.00391431/step, 0.0802434 hours remaining, 115.902344 MB of memory in use. ENERGY: 2426200 653.6615 1828.5820 1946.0901 94.4371 2.0398 -1067.4240 0.0000 0.0000 2756.9911 6214.3776 304.5174 3457.3865 6247.0709 299.2547 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: 9736.1, 0.00391553/step Wall: 9736.1, 0.00391553/step, 0.0800507 hours remaining, 115.902344 MB of memory in use. ENERGY: 2426400 682.6988 1846.3234 1931.8947 92.1939 1.0805 -1081.9061 0.0000 0.0000 2669.8412 6142.1264 294.8914 3472.2852 6172.0657 297.4441 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: 9736.89, 0.00391708/step Wall: 9736.89, 0.00391708/step, 0.0798648 hours remaining, 115.902344 MB of memory in use. ENERGY: 2426600 656.4864 1838.8421 1957.6971 107.3772 -0.2721 -1084.2296 0.0000 0.0000 2677.1107 6153.0118 295.6943 3475.9011 6186.5594 297.4369 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: 9737.67, 0.00390936/step Wall: 9737.67, 0.00390936/step, 0.0794904 hours remaining, 115.902344 MB of memory in use. ENERGY: 2426800 620.9732 1857.6122 1980.8963 122.6208 0.0907 -1091.9687 0.0000 0.0000 2680.7165 6170.9410 296.0926 3490.2246 6204.3381 297.6838 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: 9738.45, 0.0039178/step Wall: 9738.45, 0.0039178/step, 0.0794443 hours remaining, 115.902344 MB of memory in use. ENERGY: 2427000 639.6141 1881.0195 1963.6168 97.5726 1.0792 -1088.8765 0.0000 0.0000 2715.9789 6210.0047 299.9874 3494.0257 6244.4661 299.9270 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: 9739.23, 0.0039159/step Wall: 9739.23, 0.0039159/step, 0.0791882 hours remaining, 115.902344 MB of memory in use. ENERGY: 2427200 656.9987 1859.0301 1960.0193 112.3353 1.9492 -1108.6903 0.0000 0.0000 2727.3313 6208.9735 301.2413 3481.6422 6241.4718 301.0944 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: 9740.02, 0.00391632/step Wall: 9740.02, 0.00391632/step, 0.0789791 hours remaining, 115.902344 MB of memory in use. ENERGY: 2427400 680.8389 1860.0168 1969.1557 108.1450 1.2459 -1095.0770 0.0000 0.0000 2676.7861 6201.1114 295.6585 3524.3253 6231.7845 300.5647 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: 9740.8, 0.00391659/step Wall: 9740.8, 0.00391659/step, 0.078767 hours remaining, 115.902344 MB of memory in use. ENERGY: 2427600 671.6282 1846.8252 1949.2609 115.9901 1.9851 -1108.5246 0.0000 0.0000 2717.2468 6194.4117 300.1275 3477.1649 6226.3312 298.3741 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: 9741.58, 0.00390951/step Wall: 9741.58, 0.00390951/step, 0.0784074 hours remaining, 115.902344 MB of memory in use. ENERGY: 2427800 626.1173 1804.3124 1954.3843 109.0160 2.2212 -1045.0875 0.0000 0.0000 2752.9629 6203.9264 304.0724 3450.9636 6237.3245 298.3759 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: 9742.37, 0.00391531/step Wall: 9742.37, 0.00391531/step, 0.0783062 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2428000 662.0967 1887.3853 1974.7501 100.5967 1.3214 -1116.0946 0.0000 0.0000 2656.2189 6166.2744 293.3868 3510.0555 6199.6262 298.6672 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: 9743.15, 0.00391554/step Wall: 9743.15, 0.00391554/step, 0.0780932 hours remaining, 115.902344 MB of memory in use. ENERGY: 2428200 643.0758 1867.9390 1964.0822 101.5430 1.7085 -1127.2687 0.0000 0.0000 2699.9054 6150.9852 298.2121 3451.0799 6184.9003 298.6255 LDB: ============= START OF LOAD BALANCING ============== 9745.85 LDB: ============== END OF LOAD BALANCING =============== 9745.85 LDB: =============== DONE WITH MIGRATION ================ 9745.85 LDB: ============= START OF LOAD BALANCING ============== 9746.24 LDB: ============== END OF LOAD BALANCING =============== 9746.24 LDB: =============== DONE WITH MIGRATION ================ 9746.24 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: 9743.93, 0.00391865/step Wall: 9743.93, 0.00391865/step, 0.0779375 hours remaining, 115.902344 MB of memory in use. ENERGY: 2428400 663.0324 1890.5325 1944.1937 102.4132 1.8957 -1090.5385 0.0000 0.0000 2647.0893 6158.6184 292.3784 3511.5290 6190.4421 297.2445 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: 9744.72, 0.00391482/step Wall: 9744.72, 0.00391482/step, 0.077644 hours remaining, 115.902344 MB of memory in use. ENERGY: 2428600 690.1322 1874.6828 1938.5569 106.8212 1.4265 -1091.5736 0.0000 0.0000 2649.5351 6169.5810 292.6485 3520.0460 6201.2110 297.1654 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: 9745.5, 0.00390856/step Wall: 9745.5, 0.00390856/step, 0.0773026 hours remaining, 115.902344 MB of memory in use. ENERGY: 2428800 642.3248 1888.4053 1972.8364 112.5900 0.9726 -1109.5851 0.0000 0.0000 2692.1200 6199.6640 297.3522 3507.5440 6232.1701 299.7751 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: 9746.28, 0.00391354/step Wall: 9746.28, 0.00391354/step, 0.0771837 hours remaining, 115.902344 MB of memory in use. ENERGY: 2429000 629.3431 1902.8240 1957.6208 102.5791 0.1658 -1108.9772 0.0000 0.0000 2749.7188 6233.2745 303.7141 3483.5556 6268.6048 300.6353 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: 9747.06, 0.00391494/step Wall: 9747.06, 0.00391494/step, 0.0769937 hours remaining, 115.902344 MB of memory in use. ENERGY: 2429200 690.6088 1847.8269 1979.0549 107.7789 0.7626 -1083.9513 0.0000 0.0000 2728.1689 6270.2497 301.3339 3542.0808 6300.9064 302.1439 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: 9747.85, 0.00391419/step Wall: 9747.85, 0.00391419/step, 0.0767616 hours remaining, 115.902344 MB of memory in use. ENERGY: 2429400 652.0769 1872.9455 1975.9817 103.2764 1.3530 -1099.6068 0.0000 0.0000 2724.0088 6230.0356 300.8744 3506.0268 6266.1823 300.4087 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: 9748.63, 0.00390998/step Wall: 9748.63, 0.00390998/step, 0.0764619 hours remaining, 115.902344 MB of memory in use. ENERGY: 2429600 672.2367 1887.3544 1972.7642 121.2230 0.9036 -1087.6258 0.0000 0.0000 2713.4220 6280.2781 299.7050 3566.8561 6313.9378 303.0744 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: 9749.41, 0.00391391/step Wall: 9749.41, 0.00391391/step, 0.0763212 hours remaining, 115.902344 MB of memory in use. ENERGY: 2429800 644.3368 1866.0553 2008.9191 117.6003 1.1952 -1117.8093 0.0000 0.0000 2726.0234 6246.3208 301.0969 3520.2973 6279.9165 302.9934 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: 9750.19, 0.00391416/step Wall: 9750.19, 0.00391416/step, 0.0761087 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2430000 687.9437 1847.1419 1995.5305 98.7893 2.2990 -1118.9608 0.0000 0.0000 2764.0749 6276.8184 305.2998 3512.7435 6311.1207 303.6636 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2430000 WRITING COORDINATES TO DCD FILE MD.1.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: 9751.02, 0.00414679/step Wall: 9751.02, 0.00414679/step, 0.0804017 hours remaining, 115.902344 MB of memory in use. ENERGY: 2430200 669.6990 1840.3982 1976.3444 105.1156 2.0638 -1075.5938 0.0000 0.0000 2756.1855 6274.2126 304.4284 3518.0271 6305.7135 303.6292 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: 9751.81, 0.00391421/step Wall: 9751.81, 0.00391421/step, 0.0756747 hours remaining, 115.902344 MB of memory in use. ENERGY: 2430400 639.7888 1934.6907 1955.5591 108.3426 1.9062 -1074.4099 0.0000 0.0000 2718.8454 6284.7230 300.3040 3565.8776 6317.7807 304.6250 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: 9752.59, 0.00390996/step Wall: 9752.59, 0.00390996/step, 0.0753753 hours remaining, 115.902344 MB of memory in use. ENERGY: 2430600 656.9613 1876.2925 1957.0416 104.7778 0.1412 -1073.9783 0.0000 0.0000 2760.9763 6282.2123 304.9575 3521.2360 6313.2576 303.1031 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: 9753.37, 0.00391414/step Wall: 9753.37, 0.00391414/step, 0.0752384 hours remaining, 115.902344 MB of memory in use. ENERGY: 2430800 649.7778 1879.8072 1998.7813 110.8380 1.3443 -1097.9731 0.0000 0.0000 2615.6364 6158.2119 288.9043 3542.5755 6187.4464 301.0972 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: 9754.15, 0.00391462/step Wall: 9754.15, 0.00391462/step, 0.0750302 hours remaining, 115.902344 MB of memory in use. ENERGY: 2431000 667.5906 1836.0976 1964.0726 108.0841 1.7776 -1088.6956 0.0000 0.0000 2659.0465 6147.9735 293.6991 3488.9270 6181.1245 298.6232 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: 9754.94, 0.0039163/step Wall: 9754.94, 0.00391631/step, 0.0748449 hours remaining, 115.902344 MB of memory in use. ENERGY: 2431200 642.4651 1851.7814 1983.4250 105.9736 1.7096 -1141.2693 0.0000 0.0000 2636.1933 6080.2787 291.1749 3444.0854 6113.3463 295.8693 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: 9755.72, 0.00391529/step Wall: 9755.72, 0.00391529/step, 0.074608 hours remaining, 115.902344 MB of memory in use. ENERGY: 2431400 663.7462 1783.8245 1967.8424 104.7183 3.1438 -1114.4516 0.0000 0.0000 2665.1523 6073.9758 294.3735 3408.8235 6105.5636 292.3968 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: 9756.5, 0.00391063/step Wall: 9756.5, 0.00391062/step, 0.0743019 hours remaining, 115.902344 MB of memory in use. ENERGY: 2431600 653.6413 1821.6695 1985.7167 102.7753 3.0628 -1155.7561 0.0000 0.0000 2670.7997 6081.9093 294.9973 3411.1096 6118.2392 294.6567 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: 9757.28, 0.00391416/step Wall: 9757.28, 0.00391417/step, 0.0741517 hours remaining, 115.902344 MB of memory in use. ENERGY: 2431800 609.3656 1841.1989 1978.3835 96.2699 3.2281 -1097.5848 0.0000 0.0000 2697.7630 6128.6242 297.9754 3430.8611 6161.0941 296.0797 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: 9758.07, 0.00392066/step Wall: 9758.07, 0.00392066/step, 0.0740569 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2432000 674.8344 1852.7219 1967.5491 102.2987 2.1283 -1131.8398 0.0000 0.0000 2701.3215 6169.0141 298.3685 3467.6926 6200.6400 297.5439 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: 9758.85, 0.00391666/step Wall: 9758.85, 0.00391666/step, 0.0737638 hours remaining, 115.902344 MB of memory in use. ENERGY: 2432200 690.6804 1882.3094 1958.5412 105.4697 1.4730 -1150.8064 0.0000 0.0000 2690.8387 6178.5060 297.2106 3487.6673 6210.7738 297.9966 LDB: ============= START OF LOAD BALANCING ============== 9761.55 LDB: ============== END OF LOAD BALANCING =============== 9761.55 LDB: =============== DONE WITH MIGRATION ================ 9761.55 LDB: ============= START OF LOAD BALANCING ============== 9761.94 LDB: ============== END OF LOAD BALANCING =============== 9761.94 LDB: =============== DONE WITH MIGRATION ================ 9761.94 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: 9759.64, 0.00391478/step Wall: 9759.64, 0.00391478/step, 0.0735109 hours remaining, 115.902344 MB of memory in use. ENERGY: 2432400 684.5360 1856.0261 1976.2904 99.0567 1.6303 -1065.4034 0.0000 0.0000 2635.1394 6187.2753 291.0585 3552.1359 6217.2316 297.5219 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: 9760.42, 0.00391721/step Wall: 9760.42, 0.00391721/step, 0.0733389 hours remaining, 115.902344 MB of memory in use. ENERGY: 2432600 675.7791 1894.4482 1929.3759 110.9359 1.4735 -1042.4314 0.0000 0.0000 2637.0089 6206.5901 291.2650 3569.5812 6238.4575 297.8881 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: 9761.2, 0.00391586/step Wall: 9761.2, 0.00391586/step, 0.073096 hours remaining, 115.902344 MB of memory in use. ENERGY: 2432800 643.4157 1855.9027 1971.7890 107.5524 2.3391 -1089.2995 0.0000 0.0000 2692.8393 6184.5387 297.4316 3491.6994 6217.3756 297.5603 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: 9761.98, 0.00391511/step Wall: 9761.98, 0.00391511/step, 0.0728646 hours remaining, 115.902344 MB of memory in use. ENERGY: 2433000 641.8180 1859.0441 1952.6224 114.6347 0.9005 -1093.5217 0.0000 0.0000 2727.1059 6202.6040 301.2164 3475.4981 6235.7843 299.0356 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: 9762.77, 0.00391606/step Wall: 9762.77, 0.00391606/step, 0.0726646 hours remaining, 115.902344 MB of memory in use. ENERGY: 2433200 641.6270 1886.5152 1965.0824 111.7206 1.9000 -1101.2889 0.0000 0.0000 2718.9078 6224.4641 300.3109 3505.5563 6259.4780 301.9196 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: 9763.55, 0.0039095/step Wall: 9763.55, 0.00390951/step, 0.0723259 hours remaining, 115.902344 MB of memory in use. ENERGY: 2433400 632.3264 1860.4456 1927.8098 112.0784 0.7367 -1080.0718 0.0000 0.0000 2762.1189 6215.4439 305.0837 3453.3250 6250.5009 300.6404 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: 9764.33, 0.00391639/step Wall: 9764.33, 0.00391639/step, 0.0722357 hours remaining, 115.902344 MB of memory in use. ENERGY: 2433600 644.5022 1836.5855 1956.7240 101.1850 1.3310 -1084.9331 0.0000 0.0000 2748.8631 6204.2577 303.6196 3455.3947 6237.0628 299.6870 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: 9765.12, 0.00391573/step Wall: 9765.12, 0.00391573/step, 0.0720058 hours remaining, 115.902344 MB of memory in use. ENERGY: 2433800 682.0592 1849.6292 1961.6675 102.7785 1.1056 -1083.0532 0.0000 0.0000 2699.5425 6213.7291 298.1720 3514.1867 6247.6343 300.2251 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: 9765.9, 0.00391521/step Wall: 9765.9, 0.00391521/step, 0.0717788 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2434000 663.8147 1889.2024 1968.2102 103.3217 1.8284 -1095.1118 0.0000 0.0000 2733.1975 6264.4631 301.8893 3531.2656 6296.5091 301.7529 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: 9766.68, 0.0039098/step Wall: 9766.68, 0.0039098/step, 0.0714625 hours remaining, 115.902344 MB of memory in use. ENERGY: 2434200 625.3907 1912.7110 1959.8398 113.4210 1.7325 -1096.7013 0.0000 0.0000 2777.0424 6293.4361 306.7321 3516.3937 6329.8672 303.8188 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: 9767.46, 0.00391635/step Wall: 9767.46, 0.00391635/step, 0.0713646 hours remaining, 115.902344 MB of memory in use. ENERGY: 2434400 666.0699 1895.3976 1988.4706 118.7542 1.4108 -1067.1190 0.0000 0.0000 2702.5141 6305.4982 298.5002 3602.9841 6337.1704 305.2208 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: 9768.25, 0.00391545/step Wall: 9768.25, 0.00391544/step, 0.0711305 hours remaining, 115.902344 MB of memory in use. ENERGY: 2434600 684.5558 1889.0223 1965.7086 118.9451 1.6830 -1065.4205 0.0000 0.0000 2722.7940 6317.2885 300.7402 3594.4945 6349.0758 304.4338 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: 9769.03, 0.00391642/step Wall: 9769.03, 0.00391643/step, 0.0709309 hours remaining, 115.902344 MB of memory in use. ENERGY: 2434800 647.9121 1885.5889 1958.5182 109.3659 2.3322 -1082.5527 0.0000 0.0000 2788.1150 6309.2797 307.9551 3521.1648 6344.9066 303.9276 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: 9769.81, 0.00391635/step Wall: 9769.81, 0.00391635/step, 0.0707118 hours remaining, 115.902344 MB of memory in use. ENERGY: 2435000 700.2346 1860.9110 1988.3997 120.9837 0.8635 -1125.3325 0.0000 0.0000 2758.6941 6304.7541 304.7054 3546.0600 6339.6902 305.0861 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: 9770.6, 0.00390981/step Wall: 9770.6, 0.00390981/step, 0.0703767 hours remaining, 115.902344 MB of memory in use. ENERGY: 2435200 660.8782 1873.2736 1938.8174 108.4751 0.4428 -1041.3706 0.0000 0.0000 2740.3794 6280.8959 302.6825 3540.5164 6316.6454 304.0799 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: 9771.38, 0.00391575/step Wall: 9771.38, 0.00391575/step, 0.070266 hours remaining, 115.902344 MB of memory in use. ENERGY: 2435400 680.0773 1931.0089 1978.7474 117.8626 1.4165 -1098.3348 0.0000 0.0000 2716.5006 6327.2784 300.0451 3610.7778 6357.9875 304.6483 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: 9772.16, 0.00391525/step Wall: 9772.16, 0.00391525/step, 0.0700395 hours remaining, 115.902344 MB of memory in use. ENERGY: 2435600 658.5520 1901.5448 1985.5590 93.8544 0.6163 -1120.5085 0.0000 0.0000 2770.1436 6289.7616 305.9701 3519.6180 6326.7113 304.8360 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: 9772.95, 0.00391637/step Wall: 9772.95, 0.00391637/step, 0.0698419 hours remaining, 115.902344 MB of memory in use. ENERGY: 2435800 622.8499 1895.2439 1969.3408 114.6321 0.6524 -1112.2759 0.0000 0.0000 2735.0341 6225.4773 302.0921 3490.4431 6260.4303 304.2146 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: 9773.73, 0.00390957/step Wall: 9773.73, 0.00390957/step, 0.0695035 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2436000 665.4549 1909.1648 1945.4172 108.8288 0.6077 -1107.6279 0.0000 0.0000 2653.1305 6174.9761 293.0457 3521.8456 6202.5755 299.9156 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: 9774.51, 0.00391683/step Wall: 9774.51, 0.00391683/step, 0.0694149 hours remaining, 115.902344 MB of memory in use. ENERGY: 2436200 639.1445 1861.7737 1963.5845 114.7559 0.2818 -1150.4318 0.0000 0.0000 2748.6770 6177.7856 303.5990 3429.1086 6211.4828 298.5087 LDB: ============= START OF LOAD BALANCING ============== 9777.21 LDB: ============== END OF LOAD BALANCING =============== 9777.21 LDB: =============== DONE WITH MIGRATION ================ 9777.21 LDB: ============= START OF LOAD BALANCING ============== 9777.6 LDB: ============== END OF LOAD BALANCING =============== 9777.6 LDB: =============== DONE WITH MIGRATION ================ 9777.6 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: 9775.3, 0.00392089/step Wall: 9775.3, 0.00392089/step, 0.0692691 hours remaining, 115.902344 MB of memory in use. ENERGY: 2436400 671.4191 1907.7997 1979.7422 103.9391 1.6653 -1112.0320 0.0000 0.0000 2677.3341 6229.8675 295.7190 3552.5334 6262.1966 297.4201 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: 9776.08, 0.00391637/step Wall: 9776.08, 0.00391637/step, 0.0689716 hours remaining, 115.902344 MB of memory in use. ENERGY: 2436600 667.1228 1872.0368 1982.7394 114.0084 0.8324 -1138.7076 0.0000 0.0000 2741.4390 6239.4710 302.7996 3498.0321 6271.2241 301.6796 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: 9776.86, 0.00391636/step Wall: 9776.86, 0.00391636/step, 0.0687539 hours remaining, 115.902344 MB of memory in use. ENERGY: 2436800 650.3252 1854.8915 1960.1370 110.0378 1.4263 -1070.8654 0.0000 0.0000 2744.1002 6250.0527 303.0935 3505.9525 6283.0906 301.0860 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: 9777.64, 0.00390981/step Wall: 9777.64, 0.00390981/step, 0.0684216 hours remaining, 115.902344 MB of memory in use. ENERGY: 2437000 683.8418 1816.6011 1998.3324 116.0728 1.2141 -1091.2205 0.0000 0.0000 2710.5083 6235.3500 299.3832 3524.8416 6269.4378 301.1083 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: 9778.43, 0.00391691/step Wall: 9778.43, 0.0039169/step, 0.0683282 hours remaining, 115.902344 MB of memory in use. ENERGY: 2437200 652.9766 1891.4452 1977.5469 123.6209 1.5785 -1114.2288 0.0000 0.0000 2679.1135 6212.0527 295.9155 3532.9392 6244.6117 301.2106 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: 9779.21, 0.00391598/step Wall: 9779.21, 0.00391598/step, 0.0680945 hours remaining, 115.902344 MB of memory in use. ENERGY: 2437400 640.2546 1889.3806 1948.5299 102.1262 1.3599 -1068.0854 0.0000 0.0000 2721.0837 6234.6496 300.5513 3513.5659 6267.2226 302.0025 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: 9779.99, 0.00391559/step Wall: 9779.99, 0.00391559/step, 0.0678701 hours remaining, 115.902344 MB of memory in use. ENERGY: 2437600 658.7381 1838.7654 1942.8208 103.3458 -0.1335 -1107.4476 0.0000 0.0000 2758.0159 6194.1049 304.6305 3436.0891 6229.2552 301.3821 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: 9780.78, 0.00391616/step Wall: 9780.78, 0.00391616/step, 0.0676625 hours remaining, 115.902344 MB of memory in use. ENERGY: 2437800 641.1025 1873.5247 1974.1030 114.1904 1.4146 -1072.1700 0.0000 0.0000 2721.0322 6253.1973 300.5456 3532.1652 6285.6665 300.3695 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: 9781.56, 0.00390885/step Wall: 9781.56, 0.00390884/step, 0.067319 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2438000 674.7693 1880.4468 1955.2816 117.3605 0.7137 -1118.3094 0.0000 0.0000 2704.1847 6214.4473 298.6847 3510.2626 6248.2737 301.4321 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: 9782.34, 0.00391828/step Wall: 9782.34, 0.00391829/step, 0.067264 hours remaining, 115.902344 MB of memory in use. ENERGY: 2438200 674.8775 1859.9115 1928.0927 109.8655 0.2691 -1097.3190 0.0000 0.0000 2723.2581 6198.9554 300.7914 3475.6973 6232.5857 297.8596 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: 9783.13, 0.0039169/step Wall: 9783.13, 0.0039169/step, 0.0670225 hours remaining, 115.902344 MB of memory in use. ENERGY: 2438400 657.4306 1868.7502 1988.9097 116.5589 1.4177 -1123.8280 0.0000 0.0000 2712.3910 6221.6300 299.5911 3509.2390 6255.8395 302.1218 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: 9783.91, 0.00391582/step Wall: 9783.91, 0.00391582/step, 0.0667864 hours remaining, 115.902344 MB of memory in use. ENERGY: 2438600 645.5705 1874.6101 1968.0080 106.0598 0.9368 -1096.6672 0.0000 0.0000 2736.8646 6235.3827 302.2943 3498.5181 6269.8393 302.0729 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: 9784.69, 0.00390975/step Wall: 9784.69, 0.00390975/step, 0.0664658 hours remaining, 115.902344 MB of memory in use. ENERGY: 2438800 663.7563 1866.2245 1956.0999 103.2699 1.2921 -1084.0268 0.0000 0.0000 2693.5580 6200.1739 297.5110 3506.6159 6232.5088 300.5162 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: 9785.47, 0.00391467/step Wall: 9785.47, 0.00391467/step, 0.066332 hours remaining, 115.902344 MB of memory in use. ENERGY: 2439000 682.7383 1871.7002 1961.2568 107.0723 0.6930 -1111.2932 0.0000 0.0000 2686.2952 6198.4626 296.7088 3512.1673 6231.1118 300.4421 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: 9786.26, 0.00391346/step Wall: 9786.26, 0.00391346/step, 0.0660939 hours remaining, 115.902344 MB of memory in use. ENERGY: 2439200 656.6139 1860.2939 1945.3548 114.5655 2.1946 -1107.6403 0.0000 0.0000 2686.3973 6157.7798 296.7201 3471.3825 6190.9903 298.4611 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: 9787.04, 0.00391452/step Wall: 9787.04, 0.00391452/step, 0.0658944 hours remaining, 115.902344 MB of memory in use. ENERGY: 2439400 642.2569 1881.9372 1952.7199 99.2568 0.7552 -1098.8728 0.0000 0.0000 2658.1928 6136.2460 293.6048 3478.0532 6169.2995 295.5634 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: 9787.82, 0.00391292/step Wall: 9787.82, 0.00391292/step, 0.0656502 hours remaining, 115.902344 MB of memory in use. ENERGY: 2439600 603.3833 1879.1790 1945.9650 97.4873 1.4816 -1043.0505 0.0000 0.0000 2721.7790 6206.2247 300.6281 3484.4457 6241.1755 296.8021 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: 9788.6, 0.0039069/step Wall: 9788.6, 0.0039069/step, 0.065332 hours remaining, 115.902344 MB of memory in use. ENERGY: 2439800 643.0696 1816.4092 1975.3070 96.5174 0.7392 -1093.4215 0.0000 0.0000 2764.0626 6202.6833 305.2984 3438.6208 6236.4765 301.0295 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: 9789.39, 0.00391367/step Wall: 9789.39, 0.00391366/step, 0.0652277 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2440000 681.4210 1851.1924 1991.0646 113.8133 0.7810 -1089.8271 0.0000 0.0000 2710.8134 6259.2585 299.4169 3548.4451 6291.1141 302.3959 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2440000 WRITING COORDINATES TO DCD FILE MD.1.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: 9790.2, 0.00407985/step Wall: 9790.2, 0.00407986/step, 0.067771 hours remaining, 115.902344 MB of memory in use. ENERGY: 2440200 665.3220 1818.7164 1976.5908 111.7205 -0.7648 -1059.6117 0.0000 0.0000 2732.0573 6244.0306 301.7633 3511.9733 6276.7761 301.9906 LDB: ============= START OF LOAD BALANCING ============== 9792.9 LDB: ============== END OF LOAD BALANCING =============== 9792.9 LDB: =============== DONE WITH MIGRATION ================ 9792.9 LDB: ============= START OF LOAD BALANCING ============== 9793.3 LDB: ============== END OF LOAD BALANCING =============== 9793.3 LDB: =============== DONE WITH MIGRATION ================ 9793.3 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: 9790.99, 0.00393315/step Wall: 9790.99, 0.00393315/step, 0.0651155 hours remaining, 115.902344 MB of memory in use. ENERGY: 2440400 638.4818 1854.1137 1972.1149 108.5155 -0.1349 -1063.2300 0.0000 0.0000 2776.0677 6285.9287 306.6244 3509.8610 6318.4731 303.2161 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: 9791.77, 0.00391151/step Wall: 9791.77, 0.00391151/step, 0.0645399 hours remaining, 115.902344 MB of memory in use. ENERGY: 2440600 666.7218 1826.0080 1982.6028 105.5134 1.4913 -1095.4823 0.0000 0.0000 2769.8917 6256.7467 305.9423 3486.8550 6289.8402 303.8007 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: 9792.55, 0.00391666/step Wall: 9792.55, 0.00391666/step, 0.0644073 hours remaining, 115.902344 MB of memory in use. ENERGY: 2440800 661.9412 1838.6747 2001.7674 110.2906 1.9397 -1080.7977 0.0000 0.0000 2722.2838 6256.0996 300.6838 3533.8158 6289.8222 302.0709 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: 9793.34, 0.00391351/step Wall: 9793.34, 0.00391351/step, 0.0641381 hours remaining, 115.902344 MB of memory in use. ENERGY: 2441000 675.2973 1879.8970 1950.2906 109.6309 1.4442 -1110.1098 0.0000 0.0000 2700.6600 6207.1100 298.2954 3506.4500 6238.8184 301.5566 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: 9794.12, 0.00391313/step Wall: 9794.12, 0.00391313/step, 0.0639145 hours remaining, 115.902344 MB of memory in use. ENERGY: 2441200 692.2224 1845.5176 1955.3369 101.8663 0.9110 -1068.4628 0.0000 0.0000 2682.4880 6209.8794 296.2883 3527.3914 6240.9565 298.5179 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: 9794.9, 0.00391461/step Wall: 9794.9, 0.00391461/step, 0.0637211 hours remaining, 115.902344 MB of memory in use. ENERGY: 2441400 670.5217 1877.8007 1995.9060 108.6714 0.0433 -1102.9499 0.0000 0.0000 2677.7270 6227.7202 295.7624 3549.9932 6259.4804 299.3910 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: 9795.68, 0.00390663/step Wall: 9795.68, 0.00390663/step, 0.0633743 hours remaining, 115.902344 MB of memory in use. ENERGY: 2441600 643.2160 1866.7038 1963.2699 110.0406 0.1207 -1117.1684 0.0000 0.0000 2750.9611 6217.1438 303.8513 3466.1827 6249.8056 300.4516 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: 9796.47, 0.00391639/step Wall: 9796.47, 0.00391639/step, 0.0633149 hours remaining, 115.902344 MB of memory in use. ENERGY: 2441800 609.9196 1798.1758 1990.7273 110.6130 0.6754 -1059.3935 0.0000 0.0000 2737.3850 6188.1026 302.3518 3450.7176 6222.6853 300.5224 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: 9797.25, 0.00391373/step Wall: 9797.25, 0.00391373/step, 0.0630545 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2442000 629.6776 1777.0705 1971.1271 118.3572 1.1156 -1078.7358 0.0000 0.0000 2727.3168 6145.9289 301.2397 3418.6121 6182.4035 297.7540 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: 9798.03, 0.00392373/step Wall: 9798.03, 0.00392373/step, 0.0629977 hours remaining, 115.902344 MB of memory in use. ENERGY: 2442200 655.4092 1865.1176 1958.8005 112.9243 1.1142 -1079.1204 0.0000 0.0000 2609.9580 6124.2034 288.2771 3514.2454 6151.5005 295.0574 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: 9798.82, 0.0039188/step Wall: 9798.82, 0.0039188/step, 0.0627008 hours remaining, 115.902344 MB of memory in use. ENERGY: 2442400 652.8006 1824.8619 1944.9809 103.7727 0.9250 -1079.8228 0.0000 0.0000 2677.8381 6125.3564 295.7747 3447.5184 6159.1504 295.9274 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: 9799.6, 0.00391042/step Wall: 9799.6, 0.00391042/step, 0.0623495 hours remaining, 115.902344 MB of memory in use. ENERGY: 2442600 683.4652 1798.8644 1964.0529 101.1836 -0.0115 -1101.1556 0.0000 0.0000 2707.6158 6154.0147 299.0637 3446.3989 6186.0852 296.0902 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: 9800.38, 0.00391898/step Wall: 9800.38, 0.00391898/step, 0.0622682 hours remaining, 115.902344 MB of memory in use. ENERGY: 2442800 693.9268 1861.7787 1961.6869 94.4622 0.6411 -1142.8851 0.0000 0.0000 2661.1215 6130.7322 293.9283 3469.6107 6159.8120 298.4290 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: 9801.17, 0.0039177/step Wall: 9801.17, 0.0039177/step, 0.0620303 hours remaining, 115.902344 MB of memory in use. ENERGY: 2443000 637.9722 1835.2744 1978.7912 112.9015 1.3522 -1092.7991 0.0000 0.0000 2643.3850 6116.8774 291.9692 3473.4925 6147.7820 295.1624 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: 9801.95, 0.00391751/step Wall: 9801.95, 0.00391751/step, 0.0618097 hours remaining, 115.902344 MB of memory in use. ENERGY: 2443200 613.6670 1828.7795 1948.9214 124.2293 1.2906 -1067.6132 0.0000 0.0000 2664.8866 6114.1612 294.3441 3449.2746 6146.2432 294.4451 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: 9802.73, 0.00391461/step Wall: 9802.73, 0.00391461/step, 0.0615464 hours remaining, 115.902344 MB of memory in use. ENERGY: 2443400 664.7306 1813.7130 1977.2384 103.4989 -0.4489 -1091.7395 0.0000 0.0000 2665.2868 6132.2794 294.3884 3466.9925 6163.9668 296.1098 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: 9803.52, 0.00391851/step Wall: 9803.52, 0.00391851/step, 0.0613899 hours remaining, 115.902344 MB of memory in use. ENERGY: 2443600 638.9297 1783.1125 1971.4563 123.4577 0.5400 -1092.6172 0.0000 0.0000 2705.7201 6130.5991 298.8543 3424.8790 6166.8924 296.2354 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: 9804.3, 0.00391695/step Wall: 9804.3, 0.00391695/step, 0.061148 hours remaining, 115.902344 MB of memory in use. ENERGY: 2443800 663.2800 1807.2975 1961.4761 108.9489 -0.7457 -1109.6497 0.0000 0.0000 2697.0355 6127.6425 297.8951 3430.6070 6161.3903 298.0424 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: 9805.08, 0.00391715/step Wall: 9805.08, 0.00391715/step, 0.0609335 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2444000 652.1446 1760.1650 1986.9472 113.1231 0.1408 -1130.6703 0.0000 0.0000 2688.7565 6070.6068 296.9806 3381.8503 6104.2604 295.2966 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: 9805.87, 0.00391775/step Wall: 9805.87, 0.00391775/step, 0.0607252 hours remaining, 115.902344 MB of memory in use. ENERGY: 2444200 661.9248 1816.5413 1956.9225 105.4696 0.4422 -1127.2126 0.0000 0.0000 2647.4931 6061.5808 292.4230 3414.0877 6093.3302 293.7236 LDB: ============= START OF LOAD BALANCING ============== 9808.57 LDB: ============== END OF LOAD BALANCING =============== 9808.57 LDB: =============== DONE WITH MIGRATION ================ 9808.57 LDB: ============= START OF LOAD BALANCING ============== 9808.96 LDB: ============== END OF LOAD BALANCING =============== 9808.96 LDB: =============== DONE WITH MIGRATION ================ 9808.96 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: 9806.65, 0.00391484/step Wall: 9806.65, 0.00391484/step, 0.0604625 hours remaining, 115.902344 MB of memory in use. ENERGY: 2444400 665.0254 1770.0392 1972.3180 99.7197 0.2931 -1128.5702 0.0000 0.0000 2656.9431 6035.7682 293.4668 3378.8251 6067.4833 291.6071 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: 9807.43, 0.00391808/step Wall: 9807.43, 0.00391808/step, 0.0602949 hours remaining, 115.902344 MB of memory in use. ENERGY: 2444600 634.2068 1856.8803 1929.6209 103.7210 0.2318 -1131.1671 0.0000 0.0000 2689.1064 6082.6001 297.0193 3393.4937 6112.7187 293.4781 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: 9808.22, 0.00391578/step Wall: 9808.22, 0.00391578/step, 0.060042 hours remaining, 115.902344 MB of memory in use. ENERGY: 2444800 640.4727 1817.3669 1975.4857 113.9150 0.7989 -1104.3364 0.0000 0.0000 2622.1561 6065.8588 289.6244 3443.7027 6098.5444 293.7277 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: 9809, 0.00391821/step Wall: 9809, 0.00391821/step, 0.0598615 hours remaining, 115.902344 MB of memory in use. ENERGY: 2445000 671.6729 1791.4025 1958.0888 113.8512 0.7615 -1101.0692 0.0000 0.0000 2636.9774 6071.6850 291.2615 3434.7077 6103.5712 293.5465 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: 9809.78, 0.00391036/step Wall: 9809.78, 0.00391036/step, 0.0595244 hours remaining, 115.902344 MB of memory in use. ENERGY: 2445200 626.1348 1809.9610 1948.3481 120.4833 0.9214 -1089.7829 0.0000 0.0000 2725.4797 6141.5454 301.0368 3416.0657 6177.6903 296.1462 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: 9810.57, 0.00391789/step Wall: 9810.57, 0.00391789/step, 0.0594214 hours remaining, 115.902344 MB of memory in use. ENERGY: 2445400 626.8909 1770.5520 1993.3176 105.1938 -0.1733 -1104.2501 0.0000 0.0000 2714.3979 6105.9288 299.8128 3391.5309 6141.5403 296.7191 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: 9811.35, 0.00391688/step Wall: 9811.35, 0.00391688/step, 0.0591884 hours remaining, 115.902344 MB of memory in use. ENERGY: 2445600 624.3322 1830.2893 1980.1986 106.1922 -0.5773 -1069.2554 0.0000 0.0000 2682.1830 6153.3626 296.2546 3471.1795 6182.8758 297.9106 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: 9812.13, 0.00391901/step Wall: 9812.13, 0.00391901/step, 0.0590028 hours remaining, 115.902344 MB of memory in use. ENERGY: 2445800 633.8866 1798.7713 1951.4239 100.4951 0.5951 -1042.2570 0.0000 0.0000 2639.0099 6081.9248 291.4860 3442.9150 6113.0557 295.5187 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: 9812.92, 0.00391706/step Wall: 9812.92, 0.00391706/step, 0.058756 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2446000 649.6534 1812.1149 1926.4908 109.4016 0.3740 -1098.0347 0.0000 0.0000 2705.2338 6105.2338 298.8006 3400.0000 6137.4486 295.3358 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: 9813.7, 0.00391083/step Wall: 9813.7, 0.00391083/step, 0.0584453 hours remaining, 115.902344 MB of memory in use. ENERGY: 2446200 654.4887 1809.5458 1956.9489 121.9903 -0.4153 -1083.3403 0.0000 0.0000 2690.2424 6149.4605 297.1448 3459.2180 6181.9449 297.6301 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: 9814.48, 0.00391985/step Wall: 9814.48, 0.00391985/step, 0.0583622 hours remaining, 115.902344 MB of memory in use. ENERGY: 2446400 676.6963 1812.7558 1940.3123 116.8223 0.2305 -1113.7513 0.0000 0.0000 2721.6454 6154.7113 300.6133 3433.0658 6187.4364 298.2875 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: 9815.27, 0.00391742/step Wall: 9815.27, 0.00391742/step, 0.0581084 hours remaining, 115.902344 MB of memory in use. ENERGY: 2446600 642.2031 1825.9235 1984.6113 95.3250 0.5412 -1101.8978 0.0000 0.0000 2714.2659 6160.9723 299.7982 3446.7063 6195.1206 298.0261 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: 9816.05, 0.00391671/step Wall: 9816.05, 0.00391671/step, 0.0578803 hours remaining, 115.902344 MB of memory in use. ENERGY: 2446800 639.7908 1797.7826 1979.6486 116.4871 0.3382 -1120.1535 0.0000 0.0000 2683.7290 6097.6228 296.4253 3413.8938 6132.8427 295.5930 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: 9816.83, 0.00391201/step Wall: 9816.83, 0.00391201/step, 0.0575934 hours remaining, 115.902344 MB of memory in use. ENERGY: 2447000 666.4857 1808.5880 1968.6230 116.4888 0.9341 -1075.6070 0.0000 0.0000 2638.8222 6124.3347 291.4653 3485.5125 6152.9817 296.2891 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: 9817.62, 0.00391429/step Wall: 9817.62, 0.00391429/step, 0.0574096 hours remaining, 115.902344 MB of memory in use. ENERGY: 2447200 654.4883 1797.2377 1961.8150 101.7627 0.4895 -1095.0066 0.0000 0.0000 2715.8422 6136.6288 299.9723 3420.7866 6169.4692 297.8426 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: 9818.4, 0.00391783/step Wall: 9818.4, 0.00391783/step, 0.0572439 hours remaining, 115.902344 MB of memory in use. ENERGY: 2447400 653.8245 1805.0652 1983.8717 102.5084 3.1621 -1099.2325 0.0000 0.0000 2675.0829 6124.2823 295.4704 3449.1994 6154.0579 296.6527 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: 9819.18, 0.00391505/step Wall: 9819.18, 0.00391505/step, 0.0569857 hours remaining, 115.902344 MB of memory in use. ENERGY: 2447600 630.9587 1801.0445 1936.5784 103.4832 2.3735 -1105.3849 0.0000 0.0000 2725.5391 6094.5925 301.0434 3369.0534 6127.1365 295.6260 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: 9819.97, 0.003916/step Wall: 9819.97, 0.003916/step, 0.0567821 hours remaining, 115.902344 MB of memory in use. ENERGY: 2447800 648.8652 1805.6951 1974.2394 120.0007 1.6599 -1071.6646 0.0000 0.0000 2701.8883 6180.6840 298.4311 3478.7957 6211.5368 296.7718 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: 9820.75, 0.00390953/step Wall: 9820.75, 0.00390953/step, 0.056471 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2448000 653.6224 1849.1075 1964.2538 108.1273 2.9077 -1097.5998 0.0000 0.0000 2656.3139 6136.7329 293.3973 3480.4189 6168.1395 295.6961 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: 9821.53, 0.00391572/step Wall: 9821.53, 0.00391572/step, 0.0563429 hours remaining, 115.902344 MB of memory in use. ENERGY: 2448200 684.0319 1818.8911 1959.3691 108.0621 1.6059 -1080.0444 0.0000 0.0000 2662.2337 6154.1494 294.0511 3491.9157 6186.5307 296.5940 LDB: ============= START OF LOAD BALANCING ============== 9824.23 LDB: ============== END OF LOAD BALANCING =============== 9824.23 LDB: =============== DONE WITH MIGRATION ================ 9824.23 LDB: ============= START OF LOAD BALANCING ============== 9824.62 LDB: ============== END OF LOAD BALANCING =============== 9824.62 LDB: =============== DONE WITH MIGRATION ================ 9824.62 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: 9822.31, 0.00392088/step Wall: 9822.31, 0.00392088/step, 0.0561993 hours remaining, 115.902344 MB of memory in use. ENERGY: 2448400 648.7128 1827.6261 1959.9317 105.3662 1.3267 -1074.1717 0.0000 0.0000 2710.5265 6179.3185 299.3852 3468.7920 6210.3778 298.4676 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: 9823.1, 0.00391722/step Wall: 9823.1, 0.00391722/step, 0.0559292 hours remaining, 115.902344 MB of memory in use. ENERGY: 2448600 669.8578 1803.2783 1983.4853 115.8354 1.4052 -1105.0182 0.0000 0.0000 2646.3612 6115.2049 292.2980 3468.8437 6146.8511 297.1989 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: 9823.88, 0.00391665/step Wall: 9823.88, 0.00391665/step, 0.0557034 hours remaining, 115.902344 MB of memory in use. ENERGY: 2448800 662.8282 1844.6488 1948.2968 107.8298 3.0726 -1090.0745 0.0000 0.0000 2651.7801 6128.3819 292.8965 3476.6018 6158.8291 297.2418 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: 9824.66, 0.00391067/step Wall: 9824.66, 0.00391067/step, 0.0554011 hours remaining, 115.902344 MB of memory in use. ENERGY: 2449000 622.7688 1903.0548 1956.9078 106.9545 1.3191 -1110.9602 0.0000 0.0000 2672.1302 6152.1750 295.1442 3480.0449 6184.5606 298.6855 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: 9825.45, 0.00391643/step Wall: 9825.45, 0.00391643/step, 0.0552652 hours remaining, 115.902344 MB of memory in use. ENERGY: 2449200 685.5725 1828.3308 1942.8052 101.6193 0.5549 -1112.6206 0.0000 0.0000 2699.6416 6145.9038 298.1829 3446.2622 6180.7835 297.0245 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: 9826.23, 0.00391522/step Wall: 9826.23, 0.00391522/step, 0.0550306 hours remaining, 115.902344 MB of memory in use. ENERGY: 2449400 640.9279 1838.9008 1958.4471 109.9272 1.0539 -1079.0370 0.0000 0.0000 2691.2936 6161.5136 297.2609 3470.2200 6193.1369 296.5786 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: 9827.01, 0.00391652/step Wall: 9827.01, 0.00391652/step, 0.0548313 hours remaining, 115.902344 MB of memory in use. ENERGY: 2449600 647.9159 1848.6862 1951.4782 103.0138 0.4223 -1115.7922 0.0000 0.0000 2691.2654 6126.9895 297.2578 3435.7242 6157.3050 297.5227 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: 9827.8, 0.0039092/step Wall: 9827.8, 0.0039092/step, 0.0545116 hours remaining, 115.902344 MB of memory in use. ENERGY: 2449800 651.7120 1833.6296 1931.9880 110.0908 1.2066 -1061.9927 0.0000 0.0000 2679.3008 6145.9351 295.9362 3466.6344 6180.6215 297.1631 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: 9828.58, 0.00391632/step Wall: 9828.58, 0.00391632/step, 0.0543933 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2450000 650.7748 1861.5390 1938.7169 111.2253 2.1088 -1070.5447 0.0000 0.0000 2710.8617 6204.6819 299.4222 3493.8202 6237.1907 299.5470 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2450000 WRITING COORDINATES TO DCD FILE MD.1.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: 9829.42, 0.00422568/step Wall: 9829.42, 0.00422568/step, 0.0584553 hours remaining, 115.902344 MB of memory in use. ENERGY: 2450200 640.4022 1812.3381 1935.2814 121.3148 1.4022 -1100.0636 0.0000 0.0000 2751.1611 6161.8363 303.8734 3410.6752 6199.6153 299.8257 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: 9830.21, 0.00391439/step Wall: 9830.21, 0.00391439/step, 0.0539316 hours remaining, 115.902344 MB of memory in use. ENERGY: 2450400 675.4744 1853.4177 1950.2614 113.0056 1.8748 -1092.8623 0.0000 0.0000 2670.0286 6171.2003 294.9121 3501.1717 6200.2979 298.2217 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: 9830.99, 0.00391799/step Wall: 9830.99, 0.00391799/step, 0.0537635 hours remaining, 115.902344 MB of memory in use. ENERGY: 2450600 642.5803 1813.2199 1954.5279 112.2540 1.3307 -1081.3460 0.0000 0.0000 2751.5055 6194.0722 303.9114 3442.5667 6230.5802 297.9070 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: 9831.77, 0.00390975/step Wall: 9831.77, 0.00390975/step, 0.0534332 hours remaining, 115.902344 MB of memory in use. ENERGY: 2450800 638.7010 1774.4884 1933.5885 124.1356 -0.0069 -1046.6530 0.0000 0.0000 2750.7105 6174.9641 303.8236 3424.2536 6212.7859 299.9518 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: 9832.56, 0.0039167/step Wall: 9832.56, 0.0039167/step, 0.0533107 hours remaining, 115.902344 MB of memory in use. ENERGY: 2451000 667.5836 1841.2620 1955.5922 119.1681 0.5785 -1054.9673 0.0000 0.0000 2677.3282 6206.5453 295.7184 3529.2172 6239.4833 297.8860 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: 9833.34, 0.00391547/step Wall: 9833.34, 0.00391547/step, 0.0530764 hours remaining, 115.902344 MB of memory in use. ENERGY: 2451200 645.2498 1831.1364 1931.6739 110.9212 3.2501 -1083.9962 0.0000 0.0000 2741.1645 6179.3997 302.7693 3438.2352 6212.9741 298.6204 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: 9834.12, 0.00391563/step Wall: 9834.12, 0.00391563/step, 0.0528611 hours remaining, 115.902344 MB of memory in use. ENERGY: 2451400 632.4874 1878.4997 1937.5107 113.3294 0.4959 -1113.1063 0.0000 0.0000 2735.0513 6184.2680 302.0940 3449.2168 6217.7138 300.4268 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: 9834.91, 0.00391715/step Wall: 9834.91, 0.00391715/step, 0.0526639 hours remaining, 115.902344 MB of memory in use. ENERGY: 2451600 665.2924 1876.9832 1972.6046 116.7497 0.5536 -1106.9278 0.0000 0.0000 2692.6528 6217.9085 297.4110 3525.2557 6252.9507 301.5972 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: 9835.69, 0.00390933/step Wall: 9835.69, 0.00390933/step, 0.0523416 hours remaining, 115.902344 MB of memory in use. ENERGY: 2451800 644.2335 1871.2384 1951.1378 106.6581 1.4296 -1097.8479 0.0000 0.0000 2740.3121 6217.1614 302.6751 3476.8494 6251.6523 302.2455 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: 9836.47, 0.00391568/step Wall: 9836.47, 0.00391568/step, 0.0522091 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2452000 665.9608 1840.2795 1926.4952 109.1281 2.4062 -1074.7192 0.0000 0.0000 2698.5898 6168.1403 298.0668 3469.5505 6204.0868 300.4197 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: 9837.25, 0.0039149/step Wall: 9837.25, 0.0039149/step, 0.0519811 hours remaining, 115.902344 MB of memory in use. ENERGY: 2452200 662.8241 1883.5710 1946.6473 101.9024 2.7536 -1083.7719 0.0000 0.0000 2708.5238 6222.4502 299.1640 3513.9264 6254.9091 298.7067 LDB: ============= START OF LOAD BALANCING ============== 9839.95 LDB: ============== END OF LOAD BALANCING =============== 9839.95 LDB: =============== DONE WITH MIGRATION ================ 9839.95 LDB: ============= START OF LOAD BALANCING ============== 9840.35 LDB: ============== END OF LOAD BALANCING =============== 9840.35 LDB: =============== DONE WITH MIGRATION ================ 9840.35 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: 9838.04, 0.00392498/step Wall: 9838.04, 0.00392498/step, 0.051897 hours remaining, 115.902344 MB of memory in use. ENERGY: 2452400 662.5875 1884.6479 1937.1352 111.0463 1.9015 -1089.3016 0.0000 0.0000 2749.8751 6257.8917 303.7314 3508.0167 6293.2420 301.1491 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: 9838.82, 0.00391034/step Wall: 9838.82, 0.00391034/step, 0.0514861 hours remaining, 115.902344 MB of memory in use. ENERGY: 2452600 709.9673 1840.2396 1916.9846 110.7937 1.7977 -1108.0606 0.0000 0.0000 2755.0398 6226.7621 304.3018 3471.7223 6259.3782 303.3280 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: 9839.6, 0.00391377/step Wall: 9839.6, 0.00391377/step, 0.0513139 hours remaining, 115.902344 MB of memory in use. ENERGY: 2452800 655.9440 1853.9967 1946.3207 102.7639 2.3172 -1061.7736 0.0000 0.0000 2725.4798 6225.0487 301.0368 3499.5690 6258.0275 301.2288 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: 9840.39, 0.00391531/step Wall: 9840.39, 0.00391531/step, 0.0511165 hours remaining, 115.902344 MB of memory in use. ENERGY: 2453000 613.4817 1882.6721 1962.1407 106.4644 3.0434 -1086.8583 0.0000 0.0000 2724.3863 6205.3301 300.9161 3480.9439 6240.0858 303.2041 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: 9841.17, 0.00391393/step Wall: 9841.17, 0.00391393/step, 0.050881 hours remaining, 115.902344 MB of memory in use. ENERGY: 2453200 622.6591 1840.2586 1969.9156 100.3094 2.1381 -1077.8891 0.0000 0.0000 2783.9926 6241.3845 307.4997 3457.3918 6278.6294 302.5281 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: 9841.95, 0.00391365/step Wall: 9841.95, 0.00391365/step, 0.05066 hours remaining, 115.902344 MB of memory in use. ENERGY: 2453400 643.7096 1871.7913 1934.0897 120.0539 1.7094 -1059.0586 0.0000 0.0000 2716.7465 6229.0419 300.0722 3512.2953 6265.0552 302.2133 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: 9842.73, 0.00390987/step Wall: 9842.73, 0.00390987/step, 0.0503938 hours remaining, 115.902344 MB of memory in use. ENERGY: 2453600 670.2474 1915.0823 1957.4013 107.3490 0.8688 -1106.6864 0.0000 0.0000 2744.2371 6288.4995 303.1086 3544.2625 6321.8908 303.5507 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: 9843.52, 0.00391487/step Wall: 9843.52, 0.00391487/step, 0.0502409 hours remaining, 115.902344 MB of memory in use. ENERGY: 2453800 669.0065 1919.4425 1923.6566 97.2654 1.0878 -1062.9934 0.0000 0.0000 2725.6201 6273.0855 301.0523 3547.4654 6307.3978 304.2332 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: 9844.3, 0.00391471/step Wall: 9844.3, 0.00391471/step, 0.0500213 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2454000 663.4887 1869.1819 1955.9527 98.6616 2.0877 -1082.7772 0.0000 0.0000 2778.8720 6285.4673 306.9341 3506.5954 6318.8894 303.4036 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: 9845.08, 0.00391446/step Wall: 9845.08, 0.00391446/step, 0.0498006 hours remaining, 115.902344 MB of memory in use. ENERGY: 2454200 677.1095 1893.4281 1952.7417 103.1706 1.4426 -1114.7950 0.0000 0.0000 2774.8834 6287.9809 306.4936 3513.0975 6320.6432 304.8902 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: 9845.86, 0.00390792/step Wall: 9845.86, 0.00390792/step, 0.0495004 hours remaining, 115.902344 MB of memory in use. ENERGY: 2454400 652.2124 1893.7575 1965.9910 110.2099 2.2350 -1094.4287 0.0000 0.0000 2698.5721 6228.5492 298.0648 3529.9771 6263.8426 301.8872 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: 9846.65, 0.0039151/step Wall: 9846.65, 0.0039151/step, 0.0493738 hours remaining, 115.902344 MB of memory in use. ENERGY: 2454600 697.0315 1892.6298 1943.5012 108.0468 3.4231 -1129.5231 0.0000 0.0000 2698.4241 6213.5333 298.0485 3515.1093 6244.3262 300.5730 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: 9847.43, 0.00391393/step Wall: 9847.43, 0.00391393/step, 0.0491416 hours remaining, 115.902344 MB of memory in use. ENERGY: 2454800 642.6637 1890.2157 1926.7774 109.5948 0.9609 -1090.0493 0.0000 0.0000 2756.4895 6236.6527 304.4619 3480.1632 6271.3220 302.2946 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: 9848.21, 0.00391374/step Wall: 9848.21, 0.00391374/step, 0.0489217 hours remaining, 115.902344 MB of memory in use. ENERGY: 2455000 661.7093 1882.5244 1936.7575 95.4710 1.7383 -1111.2931 0.0000 0.0000 2774.9815 6241.8889 306.5044 3466.9074 6278.5373 302.8803 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: 9849, 0.00391563/step Wall: 9849, 0.00391563/step, 0.0487278 hours remaining, 115.902344 MB of memory in use. ENERGY: 2455200 700.2126 1865.8292 1946.2691 99.6554 1.5611 -1105.6400 0.0000 0.0000 2735.0889 6242.9763 302.0982 3507.8875 6278.3411 303.2303 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: 9849.78, 0.00390809/step Wall: 9849.78, 0.00390809/step, 0.0484169 hours remaining, 115.902344 MB of memory in use. ENERGY: 2455400 661.4250 1819.3251 1985.9356 111.6759 1.6530 -1086.7593 0.0000 0.0000 2752.5003 6245.7557 304.0213 3493.2555 6278.1522 301.9616 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: 9850.56, 0.00391443/step Wall: 9850.56, 0.00391443/step, 0.0482779 hours remaining, 115.902344 MB of memory in use. ENERGY: 2455600 623.1878 1898.7837 1957.0964 112.3735 1.2222 -1089.5909 0.0000 0.0000 2684.1131 6187.1859 296.4678 3503.0728 6219.2589 300.4551 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: 9851.35, 0.0039273/step Wall: 9851.35, 0.0039273/step, 0.0482185 hours remaining, 115.902344 MB of memory in use. ENERGY: 2455800 646.3730 1864.7356 1937.2669 117.4426 1.7606 -1093.7083 0.0000 0.0000 2721.6138 6195.4842 300.6098 3473.8704 6228.8142 300.9780 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: 9852.13, 0.00391683/step Wall: 9852.13, 0.00391683/step, 0.0478723 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2456000 688.9500 1849.6009 1943.0282 102.0407 2.1052 -1118.5749 0.0000 0.0000 2772.6161 6239.7661 306.2432 3467.1501 6276.5063 300.5859 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: 9852.91, 0.0039123/step Wall: 9852.91, 0.0039123/step, 0.0475997 hours remaining, 115.902344 MB of memory in use. ENERGY: 2456200 628.7062 1822.2148 1960.0922 117.4728 0.4906 -1082.9518 0.0000 0.0000 2728.9366 6174.9614 301.4186 3446.0248 6210.4941 301.4339 LDB: ============= START OF LOAD BALANCING ============== 9855.61 LDB: ============== END OF LOAD BALANCING =============== 9855.61 LDB: =============== DONE WITH MIGRATION ================ 9855.61 LDB: ============= START OF LOAD BALANCING ============== 9856 LDB: ============== END OF LOAD BALANCING =============== 9856 LDB: =============== DONE WITH MIGRATION ================ 9856 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: 9853.69, 0.00391662/step Wall: 9853.69, 0.00391662/step, 0.0474346 hours remaining, 115.902344 MB of memory in use. ENERGY: 2456400 667.9012 1821.4792 1940.6658 97.0079 0.0686 -1099.7969 0.0000 0.0000 2761.6715 6188.9973 305.0343 3427.3258 6224.4579 300.2505 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: 9854.48, 0.00391358/step Wall: 9854.48, 0.00391358/step, 0.0471804 hours remaining, 115.902344 MB of memory in use. ENERGY: 2456600 689.7979 1786.5250 1985.1164 126.4723 0.4687 -1106.2291 0.0000 0.0000 2732.5188 6214.6700 301.8143 3482.1512 6246.8599 301.8438 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: 9855.26, 0.00391253/step Wall: 9855.26, 0.00391253/step, 0.0469504 hours remaining, 115.902344 MB of memory in use. ENERGY: 2456800 637.8453 1856.0686 1956.1385 109.2293 0.2171 -1045.8481 0.0000 0.0000 2706.1373 6219.7880 298.9004 3513.6507 6253.6156 302.3632 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: 9856.04, 0.00391446/step Wall: 9856.04, 0.00391446/step, 0.046756 hours remaining, 115.902344 MB of memory in use. ENERGY: 2457000 650.5652 1864.6979 1917.9950 111.4670 -0.0326 -1047.8957 0.0000 0.0000 2706.0096 6202.8063 298.8863 3496.7968 6234.1213 300.4049 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: 9856.82, 0.00390932/step Wall: 9856.82, 0.00390932/step, 0.0464775 hours remaining, 115.902344 MB of memory in use. ENERGY: 2457200 652.3733 1891.0926 1928.9295 111.6773 0.7226 -1079.8868 0.0000 0.0000 2661.8191 6166.7276 294.0053 3504.9085 6199.1536 299.8891 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: 9857.61, 0.00391584/step Wall: 9857.61, 0.00391584/step, 0.0463374 hours remaining, 115.902344 MB of memory in use. ENERGY: 2457400 704.6475 1792.7248 1958.0265 103.1106 0.7133 -1105.1840 0.0000 0.0000 2683.7746 6137.8133 296.4304 3454.0387 6172.2451 297.6503 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: 9858.39, 0.00391589/step Wall: 9858.39, 0.00391589/step, 0.0461205 hours remaining, 115.902344 MB of memory in use. ENERGY: 2457600 672.8002 1838.6286 1940.6212 105.8856 0.9120 -1096.2476 0.0000 0.0000 2689.0650 6151.6649 297.0147 3462.5999 6181.1095 296.8736 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: 9859.17, 0.0039142/step Wall: 9859.17, 0.0039142/step, 0.0458831 hours remaining, 115.902344 MB of memory in use. ENERGY: 2457800 628.5444 1838.7602 1925.9060 106.2076 0.2426 -1091.6297 0.0000 0.0000 2714.1508 6122.1819 299.7855 3408.0311 6155.1873 297.6829 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: 9859.96, 0.00391369/step Wall: 9859.96, 0.00391369/step, 0.0456598 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2458000 646.5572 1859.0042 1910.7721 112.7840 1.4323 -1133.8755 0.0000 0.0000 2746.3939 6143.0681 303.3469 3396.6742 6174.9001 297.9886 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: 9860.74, 0.00390891/step Wall: 9860.74, 0.0039089/step, 0.0453867 hours remaining, 115.902344 MB of memory in use. ENERGY: 2458200 673.6021 1852.6556 1962.6894 108.6286 1.0918 -1063.4830 0.0000 0.0000 2667.5532 6202.7377 294.6387 3535.1845 6234.9208 298.8184 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: 9861.52, 0.00391312/step Wall: 9861.52, 0.00391313/step, 0.0452184 hours remaining, 115.902344 MB of memory in use. ENERGY: 2458400 649.1119 1866.9458 1950.1034 111.5572 1.8796 -1121.8560 0.0000 0.0000 2747.6603 6205.4021 303.4867 3457.7418 6239.5621 301.0968 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: 9862.3, 0.00391595/step Wall: 9862.3, 0.00391595/step, 0.0450334 hours remaining, 115.902344 MB of memory in use. ENERGY: 2458600 654.4228 1852.2508 1959.3000 110.5122 0.8067 -1056.4085 0.0000 0.0000 2677.7189 6198.6029 295.7615 3520.8840 6229.1022 300.0984 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: 9863.09, 0.00391829/step Wall: 9863.09, 0.00391829/step, 0.0448426 hours remaining, 115.902344 MB of memory in use. ENERGY: 2458800 642.8988 1852.4422 1939.6795 109.8672 1.7080 -1061.5024 0.0000 0.0000 2733.8312 6218.9245 301.9593 3485.0933 6255.0899 300.1800 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: 9863.87, 0.00391098/step Wall: 9863.87, 0.00391097/step, 0.0445417 hours remaining, 115.902344 MB of memory in use. ENERGY: 2459000 660.2335 1860.5467 1977.5976 104.7380 1.2327 -1125.9197 0.0000 0.0000 2762.0058 6240.4347 305.0712 3478.4289 6274.5943 301.4932 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: 9864.65, 0.0039155/step Wall: 9864.65, 0.00391551/step, 0.0443757 hours remaining, 115.902344 MB of memory in use. ENERGY: 2459200 695.0945 1872.9271 1950.9780 103.1777 1.1762 -1076.7904 0.0000 0.0000 2748.8377 6295.4009 303.6168 3546.5631 6324.5913 304.8519 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: 9865.44, 0.00391415/step Wall: 9865.44, 0.00391416/step, 0.044143 hours remaining, 115.902344 MB of memory in use. ENERGY: 2459400 670.4884 1873.1906 1954.1016 112.9216 2.1700 -1104.6703 0.0000 0.0000 2777.0463 6285.2482 306.7325 3508.2019 6321.8566 304.8587 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: 9866.22, 0.00391484/step Wall: 9866.22, 0.00391484/step, 0.0439332 hours remaining, 115.902344 MB of memory in use. ENERGY: 2459600 683.6662 1841.1857 1951.0165 124.4135 2.1298 -1108.3416 0.0000 0.0000 2742.5228 6236.5929 302.9193 3494.0701 6268.0713 302.5681 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: 9867, 0.00391699/step Wall: 9867, 0.00391699/step, 0.0437397 hours remaining, 115.902344 MB of memory in use. ENERGY: 2459800 652.2679 1880.3134 1962.5592 103.2078 3.0871 -1128.7797 0.0000 0.0000 2718.5934 6191.2492 300.2762 3472.6558 6224.9757 302.1321 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: 9867.78, 0.00391074/step Wall: 9867.78, 0.00391074/step, 0.0434527 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2460000 669.7057 1823.0626 1931.9277 116.4791 2.0286 -1131.9978 0.0000 0.0000 2746.6753 6157.8811 303.3779 3411.2058 6192.6038 299.8005 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2460000 WRITING COORDINATES TO DCD FILE MD.1.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: 9868.61, 0.00413827/step Wall: 9868.61, 0.00413827/step, 0.0457509 hours remaining, 115.902344 MB of memory in use. ENERGY: 2460200 655.6548 1837.0559 1972.8574 106.8811 1.5576 -1088.8103 0.0000 0.0000 2654.7067 6139.9031 293.2198 3485.1964 6172.8612 297.2320 LDB: ============= START OF LOAD BALANCING ============== 9871.31 LDB: ============== END OF LOAD BALANCING =============== 9871.31 LDB: =============== DONE WITH MIGRATION ================ 9871.31 LDB: ============= START OF LOAD BALANCING ============== 9871.7 LDB: ============== END OF LOAD BALANCING =============== 9871.7 LDB: =============== DONE WITH MIGRATION ================ 9871.7 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: 9869.4, 0.0039198/step Wall: 9869.4, 0.0039198/step, 0.0431178 hours remaining, 115.902344 MB of memory in use. ENERGY: 2460400 653.6988 1815.0807 1971.2198 101.2115 2.7578 -1110.2184 0.0000 0.0000 2772.1862 6205.9363 306.1957 3433.7501 6241.2289 299.7595 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: 9870.18, 0.00391568/step Wall: 9870.18, 0.00391567/step, 0.0428548 hours remaining, 115.902344 MB of memory in use. ENERGY: 2460600 637.6523 1839.8255 1968.9351 107.8904 2.7254 -1107.9055 0.0000 0.0000 2737.4750 6186.5982 302.3617 3449.1232 6221.9114 300.5860 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: 9870.96, 0.00391949/step Wall: 9870.96, 0.0039195/step, 0.042679 hours remaining, 115.902344 MB of memory in use. ENERGY: 2460800 672.9077 1831.8262 1947.5176 112.9798 1.7662 -1094.5702 0.0000 0.0000 2718.6261 6191.0534 300.2798 3472.4272 6224.5480 299.2448 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: 9871.75, 0.00391059/step Wall: 9871.75, 0.00391059/step, 0.0423647 hours remaining, 115.902344 MB of memory in use. ENERGY: 2461000 661.5214 1841.8449 1978.5973 109.3601 1.1633 -1117.0654 0.0000 0.0000 2710.1166 6185.5381 299.3399 3475.4215 6220.7445 300.0912 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: 9872.53, 0.00391639/step Wall: 9872.53, 0.00391639/step, 0.04221 hours remaining, 115.902344 MB of memory in use. ENERGY: 2461200 671.9656 1854.7840 1959.3719 103.4364 2.1507 -1078.4438 0.0000 0.0000 2746.7040 6259.9688 303.3811 3513.2648 6294.2458 301.1742 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: 9873.31, 0.00391619/step Wall: 9873.31, 0.00391619/step, 0.0419903 hours remaining, 115.902344 MB of memory in use. ENERGY: 2461400 648.0617 1838.5640 1927.3245 122.6393 2.2695 -1090.3719 0.0000 0.0000 2795.5015 6243.9886 308.7709 3448.4871 6281.0955 302.7710 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: 9874.09, 0.0039154/step Wall: 9874.09, 0.0039154/step, 0.0417642 hours remaining, 115.902344 MB of memory in use. ENERGY: 2461600 645.8943 1854.8343 1966.9728 98.3054 2.3794 -1100.3026 0.0000 0.0000 2807.2159 6275.2995 310.0648 3468.0837 6308.5934 304.2171 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: 9874.88, 0.00391045/step Wall: 9874.88, 0.00391044/step, 0.0414942 hours remaining, 115.902344 MB of memory in use. ENERGY: 2461800 659.4232 1849.2251 1927.0457 108.7216 2.4025 -1087.1970 0.0000 0.0000 2740.2756 6199.8967 302.6711 3459.6211 6232.0064 301.5247 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: 9875.66, 0.00391692/step Wall: 9875.66, 0.00391693/step, 0.0413453 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2462000 666.4859 1854.7403 1950.6709 107.5928 2.3317 -1102.8454 0.0000 0.0000 2725.3147 6204.2909 301.0186 3478.9761 6237.8962 300.5526 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: 9876.44, 0.00391862/step Wall: 9876.44, 0.00391862/step, 0.0411455 hours remaining, 115.902344 MB of memory in use. ENERGY: 2462200 671.8714 1842.1220 1955.6400 111.0882 2.9568 -1070.1503 0.0000 0.0000 2696.0585 6209.5865 297.7872 3513.5281 6244.9797 300.9218 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: 9877.23, 0.00391453/step Wall: 9877.23, 0.00391453/step, 0.040885 hours remaining, 115.902344 MB of memory in use. ENERGY: 2462400 690.2317 1882.8218 1961.3225 106.9465 1.8138 -1106.8825 0.0000 0.0000 2695.2102 6231.4640 297.6935 3536.2538 6265.1796 302.1231 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: 9878.01, 0.0039227/step Wall: 9878.01, 0.0039227/step, 0.0407525 hours remaining, 115.902344 MB of memory in use. ENERGY: 2462600 688.2049 1875.3942 1948.9111 109.8120 1.7847 -1119.1355 0.0000 0.0000 2665.5000 6170.4714 294.4119 3504.9714 6202.8131 300.6245 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: 9878.79, 0.00391113/step Wall: 9878.79, 0.00391113/step, 0.040415 hours remaining, 115.902344 MB of memory in use. ENERGY: 2462800 660.0664 1875.4016 1942.1888 95.8620 1.8793 -1064.0412 0.0000 0.0000 2712.5998 6223.9567 299.6142 3511.3569 6255.0179 300.6715 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: 9879.58, 0.00391133/step Wall: 9879.58, 0.00391133/step, 0.0401998 hours remaining, 115.902344 MB of memory in use. ENERGY: 2463000 623.7276 1913.8267 1966.4161 101.9777 3.1755 -1102.0027 0.0000 0.0000 2681.2656 6188.3865 296.1533 3507.1209 6217.7113 300.7835 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: 9880.36, 0.00391335/step Wall: 9880.36, 0.00391335/step, 0.0400031 hours remaining, 115.902344 MB of memory in use. ENERGY: 2463200 690.4411 1809.2743 1952.3169 102.7010 4.6354 -1109.9379 0.0000 0.0000 2727.1549 6176.5856 301.2219 3449.4308 6211.5164 299.5613 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: 9881.14, 0.00391217/step Wall: 9881.14, 0.00391217/step, 0.0397737 hours remaining, 115.902344 MB of memory in use. ENERGY: 2463400 692.6689 1830.0607 1968.6230 108.8918 2.6065 -1106.7475 0.0000 0.0000 2720.9949 6217.0984 300.5415 3496.1034 6250.5309 301.1252 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: 9881.92, 0.00390751/step Wall: 9881.92, 0.00390751/step, 0.0395092 hours remaining, 115.902344 MB of memory in use. ENERGY: 2463600 648.3098 1858.5750 1956.9465 111.6283 2.9351 -1086.1321 0.0000 0.0000 2729.8011 6222.0637 301.5141 3492.2626 6253.7707 301.7780 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: 9882.71, 0.00391383/step Wall: 9882.71, 0.00391383/step, 0.0393558 hours remaining, 115.902344 MB of memory in use. ENERGY: 2463800 654.3577 1831.2161 1964.0621 114.6460 2.0857 -1089.3927 0.0000 0.0000 2735.2486 6212.2234 302.1158 3476.9749 6246.6034 301.2789 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: 9883.49, 0.00391324/step Wall: 9883.49, 0.00391324/step, 0.0391324 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2464000 679.0446 1817.5671 1946.8140 95.2996 2.8795 -1128.9324 0.0000 0.0000 2777.3032 6189.9757 306.7609 3412.6725 6224.3137 301.0989 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: 9884.27, 0.00391202/step Wall: 9884.27, 0.00391202/step, 0.0389029 hours remaining, 115.902344 MB of memory in use. ENERGY: 2464200 668.1586 1874.9440 1979.6515 104.8909 2.7465 -1111.4237 0.0000 0.0000 2654.5726 6173.5403 293.2049 3518.9678 6206.8187 299.5916 LDB: ============= START OF LOAD BALANCING ============== 9886.97 LDB: ============== END OF LOAD BALANCING =============== 9886.97 LDB: =============== DONE WITH MIGRATION ================ 9886.97 LDB: ============= START OF LOAD BALANCING ============== 9887.36 LDB: ============== END OF LOAD BALANCING =============== 9887.36 LDB: =============== DONE WITH MIGRATION ================ 9887.36 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: 9885.05, 0.0039179/step Wall: 9885.05, 0.0039179/step, 0.0387436 hours remaining, 115.902344 MB of memory in use. ENERGY: 2464400 647.9329 1858.4407 1933.0744 98.2081 2.9698 -1121.3249 0.0000 0.0000 2765.8313 6185.1324 305.4938 3419.3011 6219.8143 299.3794 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: 9885.84, 0.00390684/step Wall: 9885.84, 0.00390684/step, 0.0384172 hours remaining, 115.902344 MB of memory in use. ENERGY: 2464600 707.7115 1801.6831 1969.3640 116.3856 1.5847 -1075.9315 0.0000 0.0000 2717.7645 6238.5618 300.1847 3520.7973 6269.1572 301.0279 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: 9886.62, 0.00391273/step Wall: 9886.62, 0.00391273/step, 0.0382578 hours remaining, 115.902344 MB of memory in use. ENERGY: 2464800 669.9914 1823.9207 1934.7801 104.2712 0.8423 -1076.0854 0.0000 0.0000 2758.1598 6215.8802 304.6464 3457.7203 6251.3718 302.2865 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: 9887.4, 0.00391201/step Wall: 9887.4, 0.00391202/step, 0.0380335 hours remaining, 115.902344 MB of memory in use. ENERGY: 2465000 671.2358 1852.3913 1942.6016 116.6799 2.0856 -1078.1847 0.0000 0.0000 2718.0668 6224.8763 300.2181 3506.8095 6257.2905 299.6525 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: 9888.18, 0.00391333/step Wall: 9888.18, 0.00391333/step, 0.0378288 hours remaining, 115.902344 MB of memory in use. ENERGY: 2465200 671.8684 1849.7175 1921.6260 104.8531 0.9694 -1088.7339 0.0000 0.0000 2755.9605 6216.2610 304.4035 3460.3004 6250.8274 300.6546 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: 9888.96, 0.00390946/step Wall: 9888.96, 0.00390946/step, 0.0375742 hours remaining, 115.902344 MB of memory in use. ENERGY: 2465400 661.1789 1812.3107 1956.1456 99.8331 0.9567 -1053.1255 0.0000 0.0000 2739.1414 6216.4410 302.5458 3477.2995 6249.7300 301.5785 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: 9889.75, 0.00391374/step Wall: 9889.75, 0.00391374/step, 0.0373979 hours remaining, 115.902344 MB of memory in use. ENERGY: 2465600 659.6005 1877.0829 1917.6311 105.8428 0.8048 -1090.7451 0.0000 0.0000 2726.5645 6196.7815 301.1566 3470.2170 6232.3054 299.8016 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: 9890.53, 0.00391525/step Wall: 9890.53, 0.00391525/step, 0.0371948 hours remaining, 115.902344 MB of memory in use. ENERGY: 2465800 658.1778 1822.1287 1946.8085 114.4066 0.4177 -1073.9913 0.0000 0.0000 2701.6064 6169.5543 298.3999 3467.9479 6206.0599 298.2825 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: 9891.31, 0.0039148/step Wall: 9891.31, 0.00391479/step, 0.0369731 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2466000 646.4989 1851.8596 1922.3138 105.6602 2.1026 -1059.5963 0.0000 0.0000 2736.0546 6204.8934 302.2049 3468.8388 6236.1284 298.9618 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: 9892.1, 0.00391402/step Wall: 9892.1, 0.00391403/step, 0.0367484 hours remaining, 115.902344 MB of memory in use. ENERGY: 2466200 641.7145 1881.1768 1949.3835 98.4275 1.9157 -1113.9561 0.0000 0.0000 2709.8951 6168.5570 299.3155 3458.6619 6202.2884 298.3449 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: 9892.88, 0.00390828/step Wall: 9892.88, 0.00390828/step, 0.0364773 hours remaining, 115.902344 MB of memory in use. ENERGY: 2466400 652.8523 1828.5255 1941.6870 103.8597 0.3886 -1079.6663 0.0000 0.0000 2748.7182 6196.3651 303.6036 3447.6469 6229.9963 299.3011 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: 9893.66, 0.0039143/step Wall: 9893.66, 0.0039143/step, 0.0363161 hours remaining, 115.902344 MB of memory in use. ENERGY: 2466600 641.7090 1866.7614 1973.4733 102.0086 1.1614 -1081.1702 0.0000 0.0000 2644.6241 6148.5676 292.1061 3503.9435 6177.9646 299.1824 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: 9894.44, 0.00391445/step Wall: 9894.44, 0.00391445/step, 0.0360999 hours remaining, 115.902344 MB of memory in use. ENERGY: 2466800 648.4393 1865.9148 1953.1794 109.9874 2.4979 -1138.1923 0.0000 0.0000 2672.4389 6114.2655 295.1783 3441.8266 6146.4521 296.6059 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: 9895.23, 0.00391458/step Wall: 9895.23, 0.00391458/step, 0.0358836 hours remaining, 115.902344 MB of memory in use. ENERGY: 2467000 619.7306 1821.3805 1938.8228 98.6699 1.4148 -1075.9349 0.0000 0.0000 2708.9628 6113.0465 299.2125 3404.0837 6147.2286 294.9544 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: 9896.01, 0.00391507/step Wall: 9896.01, 0.00391507/step, 0.0356706 hours remaining, 115.902344 MB of memory in use. ENERGY: 2467200 675.1138 1831.0562 1935.0978 120.0516 0.7957 -1110.2110 0.0000 0.0000 2648.8085 6100.7126 292.5683 3451.9041 6131.7257 295.7500 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: 9896.79, 0.00390791/step Wall: 9896.79, 0.00390791/step, 0.0353883 hours remaining, 115.902344 MB of memory in use. ENERGY: 2467400 638.1468 1844.5891 1912.5261 109.4389 2.3453 -1089.5396 0.0000 0.0000 2744.5551 6162.0617 303.1438 3417.5066 6198.8413 298.4728 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: 9897.57, 0.00391429/step Wall: 9897.57, 0.00391429/step, 0.0352286 hours remaining, 115.902344 MB of memory in use. ENERGY: 2467600 644.6045 1863.1621 1959.3678 101.8238 2.1606 -1087.8236 0.0000 0.0000 2676.1864 6159.4816 295.5922 3483.2952 6190.8302 296.6979 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: 9898.36, 0.00391653/step Wall: 9898.36, 0.00391653/step, 0.0350312 hours remaining, 115.902344 MB of memory in use. ENERGY: 2467800 647.7836 1822.1743 1947.1010 99.3663 1.5956 -1111.0573 0.0000 0.0000 2720.4997 6127.4631 300.4868 3406.9634 6158.2953 297.4504 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: 9899.14, 0.00391379/step Wall: 9899.14, 0.00391379/step, 0.0347892 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2468000 666.6178 1832.9795 1939.2435 111.7240 1.1572 -1109.8298 0.0000 0.0000 2642.0996 6083.9919 291.8273 3441.8922 6118.7968 295.7008 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: 9899.92, 0.00390797/step Wall: 9899.92, 0.00390797/step, 0.0345204 hours remaining, 115.902344 MB of memory in use. ENERGY: 2468200 648.7301 1813.0914 1929.0866 106.7663 1.5645 -1119.7876 0.0000 0.0000 2694.8414 6074.2929 297.6527 3379.4514 6109.2194 294.7171 LDB: ============= START OF LOAD BALANCING ============== 9902.62 LDB: ============== END OF LOAD BALANCING =============== 9902.62 LDB: =============== DONE WITH MIGRATION ================ 9902.62 LDB: ============= START OF LOAD BALANCING ============== 9903.02 LDB: ============== END OF LOAD BALANCING =============== 9903.02 LDB: =============== DONE WITH MIGRATION ================ 9903.02 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: 9900.71, 0.003923/step Wall: 9900.71, 0.003923/step, 0.0344353 hours remaining, 115.902344 MB of memory in use. ENERGY: 2468400 632.5568 1830.9920 1952.7219 115.8087 1.5034 -1114.1342 0.0000 0.0000 2661.6990 6081.1477 293.9921 3419.4487 6115.4339 293.8248 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: 9901.49, 0.00392785/step Wall: 9901.49, 0.00392785/step, 0.0342596 hours remaining, 115.902344 MB of memory in use. ENERGY: 2468600 623.8481 1878.2726 1945.0850 97.9771 1.3652 -1090.9094 0.0000 0.0000 2619.1299 6074.7685 289.2902 3455.6386 6107.2892 293.1221 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: 9902.28, 0.00392293/step Wall: 9902.28, 0.00392293/step, 0.0339987 hours remaining, 115.902344 MB of memory in use. ENERGY: 2468800 637.0247 1768.1614 1941.0662 104.6166 2.4950 -1089.8501 0.0000 0.0000 2678.2827 6041.7965 295.8238 3363.5138 6075.3121 293.4586 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: 9903.06, 0.00391859/step Wall: 9903.06, 0.00391859/step, 0.0337434 hours remaining, 115.902344 MB of memory in use. ENERGY: 2469000 642.5401 1835.7743 1935.1585 93.5993 0.3052 -1084.4071 0.0000 0.0000 2627.4658 6050.4362 290.2109 3422.9704 6083.2415 290.6334 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: 9903.84, 0.00390736/step Wall: 9903.84, 0.00390736/step, 0.0334297 hours remaining, 115.902344 MB of memory in use. ENERGY: 2469200 642.9807 1808.6762 1955.3014 114.4432 0.7150 -1059.7946 0.0000 0.0000 2638.9524 6101.2744 291.4796 3462.3219 6130.5478 293.6825 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: 9904.62, 0.00391471/step Wall: 9904.62, 0.00391471/step, 0.033275 hours remaining, 115.902344 MB of memory in use. ENERGY: 2469400 627.6149 1839.6814 1936.1289 112.8811 0.2660 -1087.7866 0.0000 0.0000 2688.2688 6117.0547 296.9268 3428.7859 6149.7551 294.1869 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: 9905.41, 0.00391357/step Wall: 9905.41, 0.00391357/step, 0.033048 hours remaining, 115.902344 MB of memory in use. ENERGY: 2469600 663.1308 1778.5800 1948.7965 110.3257 1.5376 -1098.0907 0.0000 0.0000 2746.9891 6151.2689 303.4126 3404.2798 6185.7376 297.0109 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: 9906.19, 0.00391188/step Wall: 9906.19, 0.00391188/step, 0.0328163 hours remaining, 115.902344 MB of memory in use. ENERGY: 2469800 711.2614 1807.9297 1936.4963 103.6608 1.2127 -1116.8119 0.0000 0.0000 2662.2907 6106.0396 294.0574 3443.7489 6139.5601 296.1362 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: 9906.97, 0.0039074/step Wall: 9906.97, 0.0039074/step, 0.0325616 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2470000 624.8431 1853.6645 1945.2938 112.3068 1.8460 -1083.2106 0.0000 0.0000 2660.6741 6115.4176 293.8789 3454.7436 6145.3064 294.4249 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2470000 WRITING COORDINATES TO DCD FILE MD.1.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: 9907.79, 0.00409135/step Wall: 9907.79, 0.00409135/step, 0.0338673 hours remaining, 115.902344 MB of memory in use. ENERGY: 2470200 648.2295 1823.9014 1912.9884 115.1897 1.3199 -1089.5331 0.0000 0.0000 2672.2346 6084.3305 295.1558 3412.0959 6118.4102 293.5019 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: 9908.57, 0.00391665/step Wall: 9908.57, 0.00391666/step, 0.0322036 hours remaining, 115.902344 MB of memory in use. ENERGY: 2470400 681.5695 1825.8831 1941.8079 115.8859 1.2027 -1111.1090 0.0000 0.0000 2685.5405 6140.7805 296.6254 3455.2400 6172.5919 294.8117 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: 9909.36, 0.00391502/step Wall: 9909.36, 0.00391502/step, 0.0319727 hours remaining, 115.902344 MB of memory in use. ENERGY: 2470600 669.4507 1838.1951 1943.6093 110.4355 3.3627 -1107.3901 0.0000 0.0000 2730.8504 6188.5135 301.6300 3457.6631 6221.1961 296.9218 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: 9910.14, 0.0039131/step Wall: 9910.14, 0.00391309/step, 0.0317395 hours remaining, 115.902344 MB of memory in use. ENERGY: 2470800 662.0087 1875.0123 1915.7585 97.7132 2.4755 -1140.5866 0.0000 0.0000 2722.0333 6134.4149 300.6562 3412.3816 6168.1657 297.6885 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: 9910.92, 0.00392287/step Wall: 9910.92, 0.00392287/step, 0.0316009 hours remaining, 115.902344 MB of memory in use. ENERGY: 2471000 682.5292 1818.9876 1937.4443 117.3063 1.1711 -1130.1811 0.0000 0.0000 2726.6306 6153.8879 301.1639 3427.2573 6186.8101 295.6542 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: 9911.71, 0.00391827/step Wall: 9911.71, 0.00391827/step, 0.0313462 hours remaining, 115.902344 MB of memory in use. ENERGY: 2471200 661.5390 1832.9811 1941.4981 111.5760 2.0657 -1121.1481 0.0000 0.0000 2694.9267 6123.4385 297.6622 3428.5118 6155.8713 296.7730 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: 9912.49, 0.00391895/step Wall: 9912.49, 0.00391895/step, 0.0311339 hours remaining, 115.902344 MB of memory in use. ENERGY: 2471400 675.5722 1852.1269 1945.0721 112.1427 1.6426 -1114.4768 0.0000 0.0000 2628.5091 6100.5888 290.3262 3472.0797 6133.5286 294.7037 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: 9913.27, 0.00391694/step Wall: 9913.27, 0.00391694/step, 0.0309003 hours remaining, 115.902344 MB of memory in use. ENERGY: 2471600 630.0465 1812.6523 1953.6825 107.6634 1.3106 -1078.8703 0.0000 0.0000 2657.7598 6084.2449 293.5570 3426.4851 6117.4708 295.7604 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: 9914.06, 0.00391577/step Wall: 9914.06, 0.00391577/step, 0.0306736 hours remaining, 115.902344 MB of memory in use. ENERGY: 2471800 640.6033 1792.0035 1961.8341 111.7828 1.5840 -1066.9904 0.0000 0.0000 2698.1475 6138.9649 298.0179 3440.8174 6172.1420 294.8813 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: 9914.84, 0.00390973/step Wall: 9914.84, 0.00390973/step, 0.030409 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2472000 649.8529 1837.4951 1938.3770 102.3492 1.0342 -1108.5076 0.0000 0.0000 2700.2610 6120.8618 298.2514 3420.6008 6152.5351 296.8475 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: 9915.62, 0.00391551/step Wall: 9915.62, 0.00391551/step, 0.0302364 hours remaining, 115.902344 MB of memory in use. ENERGY: 2472200 637.6531 1893.4061 1926.0706 100.3478 2.1868 -1092.3118 0.0000 0.0000 2689.5394 6156.8920 297.0671 3467.3526 6185.8471 297.3731 LDB: ============= START OF LOAD BALANCING ============== 9918.32 LDB: ============== END OF LOAD BALANCING =============== 9918.32 LDB: =============== DONE WITH MIGRATION ================ 9918.32 LDB: ============= START OF LOAD BALANCING ============== 9918.72 LDB: ============== END OF LOAD BALANCING =============== 9918.72 LDB: =============== DONE WITH MIGRATION ================ 9918.72 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: 9916.41, 0.00392155/step Wall: 9916.41, 0.00392155/step, 0.0300652 hours remaining, 115.902344 MB of memory in use. ENERGY: 2472400 608.4804 1850.9566 1959.7350 107.8808 1.4031 -1067.7103 0.0000 0.0000 2732.1995 6192.9451 301.7790 3460.7456 6227.4734 300.7328 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: 9917.19, 0.00391457/step Wall: 9917.19, 0.00391457/step, 0.0297942 hours remaining, 115.902344 MB of memory in use. ENERGY: 2472600 654.9007 1824.9572 1953.1377 124.8304 1.3678 -1102.3588 0.0000 0.0000 2758.5727 6215.4076 304.6920 3456.8349 6248.7393 300.4154 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: 9917.97, 0.00390841/step Wall: 9917.97, 0.00390841/step, 0.0295302 hours remaining, 115.902344 MB of memory in use. ENERGY: 2472800 679.1476 1885.5234 1926.6748 112.7977 1.0222 -1097.7936 0.0000 0.0000 2682.5271 6189.8991 296.2926 3507.3720 6221.1726 300.3883 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: 9918.76, 0.00392306/step Wall: 9918.76, 0.00392306/step, 0.0294229 hours remaining, 115.902344 MB of memory in use. ENERGY: 2473000 671.3406 1849.5901 1928.5097 113.5933 1.5751 -1080.9768 0.0000 0.0000 2687.9594 6171.5913 296.8926 3483.6320 6205.2197 299.0696 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: 9919.54, 0.00391504/step Wall: 9919.54, 0.00391504/step, 0.0291453 hours remaining, 115.902344 MB of memory in use. ENERGY: 2473200 677.3418 1812.2119 1953.7818 110.2919 2.1798 -1075.1683 0.0000 0.0000 2711.4282 6192.0671 299.4848 3480.6390 6225.0750 300.8016 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: 9920.32, 0.00391458/step Wall: 9920.32, 0.00391458/step, 0.0289244 hours remaining, 115.902344 MB of memory in use. ENERGY: 2473400 707.8981 1799.9027 1933.7447 109.0909 1.7564 -1078.0308 0.0000 0.0000 2695.1872 6169.5492 297.6909 3474.3621 6203.5357 299.6849 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: 9921.1, 0.0039146/step Wall: 9921.1, 0.0039146/step, 0.028707 hours remaining, 115.902344 MB of memory in use. ENERGY: 2473600 660.2992 1829.7325 1960.9746 107.7497 0.5392 -1087.4150 0.0000 0.0000 2729.3656 6201.2457 301.4660 3471.8801 6238.3165 299.2078 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: 9921.89, 0.00390846/step Wall: 9921.89, 0.00390846/step, 0.0284449 hours remaining, 115.902344 MB of memory in use. ENERGY: 2473800 632.8238 1878.8259 1953.0061 108.5422 2.3478 -1064.7963 0.0000 0.0000 2687.1896 6197.9392 296.8076 3510.7495 6229.2964 299.0041 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: 9922.67, 0.00391367/step Wall: 9922.67, 0.00391367/step, 0.0282654 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2474000 681.1694 1809.3673 1934.0507 105.8693 2.4713 -1106.2454 0.0000 0.0000 2780.5303 6207.2129 307.1173 3426.6826 6243.1487 300.5183 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: 9923.45, 0.00391333/step Wall: 9923.45, 0.00391333/step, 0.0280455 hours remaining, 115.902344 MB of memory in use. ENERGY: 2474200 693.0191 1861.6351 1937.4004 110.2556 0.3760 -1116.7278 0.0000 0.0000 2705.9777 6191.9360 298.8828 3485.9584 6225.3655 300.0466 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: 9924.23, 0.00391285/step Wall: 9924.23, 0.00391285/step, 0.0278247 hours remaining, 115.902344 MB of memory in use. ENERGY: 2474400 645.8365 1856.9400 1921.6110 96.9546 1.1116 -1075.1423 0.0000 0.0000 2691.4471 6138.7584 297.2778 3447.3113 6174.4797 299.4132 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: 9925.02, 0.00390962/step Wall: 9925.02, 0.00390962/step, 0.0275846 hours remaining, 115.902344 MB of memory in use. ENERGY: 2474600 650.9547 1824.5973 1971.6316 103.3189 2.0866 -1124.3697 0.0000 0.0000 2682.9416 6111.1609 296.3384 3428.2193 6147.2644 293.8815 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: 9925.8, 0.00391337/step Wall: 9925.8, 0.00391337/step, 0.0273936 hours remaining, 115.902344 MB of memory in use. ENERGY: 2474800 643.2706 1827.2221 1946.8640 100.5267 0.4956 -1066.5551 0.0000 0.0000 2648.2046 6100.0286 292.5016 3451.8239 6131.3915 295.4963 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: 9926.58, 0.00391299/step Wall: 9926.58, 0.00391299/step, 0.0271735 hours remaining, 115.902344 MB of memory in use. ENERGY: 2475000 633.1608 1819.3257 1900.3192 104.9685 1.4241 -1086.6357 0.0000 0.0000 2729.6801 6102.2427 301.5008 3372.5626 6134.3261 295.1566 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: 9927.36, 0.00391248/step Wall: 9927.36, 0.00391248/step, 0.0269526 hours remaining, 115.902344 MB of memory in use. ENERGY: 2475200 660.6740 1843.6578 1945.6489 97.4490 2.0442 -1127.6601 0.0000 0.0000 2680.0110 6101.8248 296.0147 3421.8138 6134.3188 294.2358 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: 9928.15, 0.00391314/step Wall: 9928.15, 0.00391314/step, 0.0267398 hours remaining, 115.902344 MB of memory in use. ENERGY: 2475400 607.8345 1879.7486 1951.7353 105.5782 2.8651 -1104.1053 0.0000 0.0000 2697.9961 6141.6525 298.0012 3443.6564 6174.6650 295.5517 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: 9928.93, 0.00391073/step Wall: 9928.93, 0.00391073/step, 0.0265061 hours remaining, 115.902344 MB of memory in use. ENERGY: 2475600 624.2233 1849.4003 1981.7899 107.7011 1.1959 -1096.5342 0.0000 0.0000 2665.4014 6133.1777 294.4010 3467.7763 6166.1716 297.4585 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: 9929.71, 0.00391422/step Wall: 9929.71, 0.00391423/step, 0.0263123 hours remaining, 115.902344 MB of memory in use. ENERGY: 2475800 652.0655 1869.2518 1951.6095 103.9879 1.6909 -1115.4915 0.0000 0.0000 2653.3983 6116.5124 293.0752 3463.1141 6148.1928 296.1989 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: 9930.49, 0.00391384/step Wall: 9930.49, 0.00391384/step, 0.0260923 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2476000 604.8224 1829.1482 1934.3101 113.4726 2.7580 -1103.9752 0.0000 0.0000 2780.9411 6161.4772 307.1627 3380.5361 6196.5586 295.9057 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: 9931.28, 0.00391384/step Wall: 9931.28, 0.00391384/step, 0.0258748 hours remaining, 115.902344 MB of memory in use. ENERGY: 2476200 673.1495 1871.4226 1938.0809 97.2784 1.4715 -1102.4966 0.0000 0.0000 2695.1186 6174.0250 297.6834 3478.9064 6206.5765 300.5510 LDB: ============= START OF LOAD BALANCING ============== 9933.98 LDB: ============== END OF LOAD BALANCING =============== 9933.98 LDB: =============== DONE WITH MIGRATION ================ 9933.98 LDB: ============= START OF LOAD BALANCING ============== 9934.37 LDB: ============== END OF LOAD BALANCING =============== 9934.37 LDB: =============== DONE WITH MIGRATION ================ 9934.37 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: 9932.06, 0.00391438/step Wall: 9932.06, 0.00391438/step, 0.0256609 hours remaining, 115.902344 MB of memory in use. ENERGY: 2476400 680.9922 1797.9384 1967.3851 108.3073 1.1410 -1109.3548 0.0000 0.0000 2714.2435 6160.6525 299.7957 3446.4091 6192.9689 299.4963 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: 9932.84, 0.00391562/step Wall: 9932.84, 0.00391562/step, 0.0254515 hours remaining, 115.902344 MB of memory in use. ENERGY: 2476600 638.0614 1875.9934 1946.8275 110.4930 2.8138 -1108.0545 0.0000 0.0000 2732.0399 6198.1745 301.7614 3466.1346 6229.4308 300.2273 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: 9933.63, 0.00391426/step Wall: 9933.63, 0.00391426/step, 0.0252252 hours remaining, 115.902344 MB of memory in use. ENERGY: 2476800 644.3266 1819.2051 1990.9351 112.5619 2.2282 -1110.7276 0.0000 0.0000 2729.3737 6187.9030 301.4669 3458.5293 6221.5352 299.7624 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: 9934.41, 0.00391573/step Wall: 9934.41, 0.00391573/step, 0.0250172 hours remaining, 115.902344 MB of memory in use. ENERGY: 2477000 651.0193 1835.6616 1967.5200 104.7088 0.5105 -1111.1095 0.0000 0.0000 2679.0194 6127.3299 295.9052 3448.3106 6163.7141 298.6466 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: 9935.19, 0.00391482/step Wall: 9935.19, 0.00391482/step, 0.0247939 hours remaining, 115.902344 MB of memory in use. ENERGY: 2477200 647.5004 1832.4905 1949.5429 88.5747 1.7760 -1097.4866 0.0000 0.0000 2697.2799 6119.6778 297.9221 3422.3980 6151.0754 296.2606 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: 9935.97, 0.00391066/step Wall: 9935.97, 0.00391066/step, 0.0245502 hours remaining, 115.902344 MB of memory in use. ENERGY: 2477400 635.0507 1880.4562 1914.8635 96.2012 -0.1001 -1081.8263 0.0000 0.0000 2693.9677 6138.6129 297.5562 3444.6451 6171.7035 297.2483 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: 9936.76, 0.00391801/step Wall: 9936.76, 0.00391801/step, 0.0243788 hours remaining, 115.902344 MB of memory in use. ENERGY: 2477600 652.4392 1816.8943 1941.3097 108.5827 1.7066 -1068.4643 0.0000 0.0000 2683.4195 6135.8878 296.3912 3452.4682 6169.3974 296.1175 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: 9937.54, 0.00391637/step Wall: 9937.54, 0.00391637/step, 0.0241509 hours remaining, 115.902344 MB of memory in use. ENERGY: 2477800 705.0734 1841.5679 1971.1657 117.9709 1.7944 -1096.7842 0.0000 0.0000 2667.4014 6208.1895 294.6219 3540.7881 6239.0832 297.6344 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: 9938.32, 0.00391798/step Wall: 9938.32, 0.00391798/step, 0.0239432 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2478000 676.9516 1869.9215 1967.2106 103.3127 2.3109 -1089.2432 0.0000 0.0000 2685.4719 6215.9361 296.6179 3530.4642 6249.6894 298.8394 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: 9939.11, 0.00391549/step Wall: 9939.11, 0.00391549/step, 0.0237104 hours remaining, 115.902344 MB of memory in use. ENERGY: 2478200 614.9321 1865.5940 1967.3457 112.2354 2.4388 -1110.4930 0.0000 0.0000 2749.0208 6201.0740 303.6370 3452.0532 6233.6223 300.3913 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: 9939.89, 0.00390955/step Wall: 9939.89, 0.00390955/step, 0.0234573 hours remaining, 115.902344 MB of memory in use. ENERGY: 2478400 627.2449 1837.9782 1939.8735 110.2268 2.7757 -1076.7637 0.0000 0.0000 2738.9303 6180.2657 302.5225 3441.3355 6212.3129 301.0075 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: 9940.67, 0.00391607/step Wall: 9940.67, 0.00391607/step, 0.0232789 hours remaining, 115.902344 MB of memory in use. ENERGY: 2478600 631.5897 1897.9196 1962.1793 106.3631 1.3379 -1128.1899 0.0000 0.0000 2714.6291 6185.8287 299.8383 3471.1996 6220.0921 300.4963 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: 9941.46, 0.00391533/step Wall: 9941.46, 0.00391533/step, 0.023057 hours remaining, 115.902344 MB of memory in use. ENERGY: 2478800 668.7321 1871.7389 1946.0563 111.9895 1.8922 -1122.5330 0.0000 0.0000 2678.5295 6156.4054 295.8510 3477.8759 6188.1902 299.9797 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: 9942.24, 0.00391508/step Wall: 9942.24, 0.00391508/step, 0.022838 hours remaining, 115.902344 MB of memory in use. ENERGY: 2479000 651.6057 1830.4064 1947.2131 113.5701 0.6200 -1111.1464 0.0000 0.0000 2716.9722 6149.2412 300.0971 3432.2690 6184.3333 298.2150 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: 9943.02, 0.00390955/step Wall: 9943.02, 0.00390955/step, 0.0225885 hours remaining, 115.902344 MB of memory in use. ENERGY: 2479200 676.3946 1849.2633 1946.2399 109.9603 2.1931 -1134.1169 0.0000 0.0000 2786.1592 6236.0936 307.7390 3449.9344 6271.7005 299.2531 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: 9943.8, 0.00391419/step Wall: 9943.8, 0.00391419/step, 0.0223979 hours remaining, 115.902344 MB of memory in use. ENERGY: 2479400 643.4713 1914.3276 1937.5350 109.5482 2.1656 -1099.1467 0.0000 0.0000 2708.9009 6216.8019 299.2057 3507.9010 6250.1633 302.5265 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: 9944.59, 0.00391366/step Wall: 9944.59, 0.00391366/step, 0.0221774 hours remaining, 115.902344 MB of memory in use. ENERGY: 2479600 677.1901 1840.9278 1950.8752 113.0858 0.6811 -1082.4685 0.0000 0.0000 2727.2761 6227.5676 301.2352 3500.2915 6259.0763 301.0389 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: 9945.37, 0.00391429/step Wall: 9945.37, 0.00391429/step, 0.0219635 hours remaining, 115.902344 MB of memory in use. ENERGY: 2479800 637.1289 1811.2176 1967.2695 107.2406 2.5813 -1050.5179 0.0000 0.0000 2734.2851 6209.2051 302.0094 3474.9200 6244.1718 302.0523 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: 9946.15, 0.00391545/step Wall: 9946.15, 0.00391545/step, 0.0217525 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2480000 683.3690 1878.8095 1941.1925 114.2012 2.3600 -1119.5159 0.0000 0.0000 2766.1335 6266.5498 305.5272 3500.4163 6301.3210 302.3563 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2480000 WRITING COORDINATES TO DCD FILE MD.1.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: 9946.97, 0.00408735/step Wall: 9946.97, 0.00408735/step, 0.0224804 hours remaining, 115.902344 MB of memory in use. ENERGY: 2480200 639.4778 1876.7601 1953.7988 106.4942 2.0738 -1093.7135 0.0000 0.0000 2792.6126 6277.5038 308.4518 3484.8912 6314.4035 303.9892 LDB: ============= START OF LOAD BALANCING ============== 9949.67 LDB: ============== END OF LOAD BALANCING =============== 9949.67 LDB: =============== DONE WITH MIGRATION ================ 9949.67 LDB: ============= START OF LOAD BALANCING ============== 9950.06 LDB: ============== END OF LOAD BALANCING =============== 9950.06 LDB: =============== DONE WITH MIGRATION ================ 9950.06 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: 9947.75, 0.0039179/step Wall: 9947.75, 0.0039179/step, 0.0213308 hours remaining, 115.902344 MB of memory in use. ENERGY: 2480400 644.4853 1851.2634 1950.0187 117.5835 1.5023 -1085.9821 0.0000 0.0000 2715.4557 6194.3267 299.9296 3478.8710 6228.0941 302.4827 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: 9948.54, 0.00391405/step Wall: 9948.54, 0.00391405/step, 0.0210924 hours remaining, 115.902344 MB of memory in use. ENERGY: 2480600 646.8096 1810.3570 1948.7531 97.9441 2.4795 -1096.8211 0.0000 0.0000 2797.1745 6206.6966 308.9557 3409.5222 6241.1098 299.1866 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: 9949.32, 0.00391183/step Wall: 9949.32, 0.00391183/step, 0.0208631 hours remaining, 115.902344 MB of memory in use. ENERGY: 2480800 663.5270 1825.7554 1971.0998 108.0346 3.7995 -1080.5103 0.0000 0.0000 2730.0338 6221.7398 301.5398 3491.7059 6255.1606 300.9756 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: 9950.1, 0.00391115/step Wall: 9950.1, 0.00391115/step, 0.0206422 hours remaining, 115.902344 MB of memory in use. ENERGY: 2481000 672.0813 1833.8637 1951.2213 112.1323 2.9976 -1050.9887 0.0000 0.0000 2698.9282 6220.2357 298.1041 3521.3076 6253.2645 300.9681 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: 9950.88, 0.0039088/step Wall: 9950.88, 0.0039088/step, 0.0204126 hours remaining, 115.902344 MB of memory in use. ENERGY: 2481200 643.0979 1855.6291 1981.1148 105.1950 1.8334 -1092.7245 0.0000 0.0000 2729.9407 6224.0864 301.5296 3494.1456 6258.5786 301.6215 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: 9951.66, 0.00391273/step Wall: 9951.66, 0.00391273/step, 0.0202158 hours remaining, 115.902344 MB of memory in use. ENERGY: 2481400 665.6956 1869.0095 1971.2563 110.2753 2.3564 -1114.6976 0.0000 0.0000 2759.4602 6263.3556 304.7901 3503.8954 6296.9580 303.3449 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: 9952.45, 0.00391254/step Wall: 9952.45, 0.00391254/step, 0.0199974 hours remaining, 115.902344 MB of memory in use. ENERGY: 2481600 663.2489 1850.8368 1985.9159 111.9283 4.4677 -1093.1483 0.0000 0.0000 2738.3413 6261.5906 302.4574 3523.2493 6294.2174 303.6833 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: 9953.23, 0.00391092/step Wall: 9953.23, 0.00391092/step, 0.0197719 hours remaining, 115.902344 MB of memory in use. ENERGY: 2481800 668.9227 1886.7735 1975.0686 103.7287 5.0462 -1117.6244 0.0000 0.0000 2700.1170 6222.0323 298.2354 3521.9153 6254.3138 303.2365 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: 9954.01, 0.00390774/step Wall: 9954.01, 0.00390774/step, 0.0195387 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2482000 663.9765 1846.3897 1955.6553 101.0418 3.0954 -1094.4962 0.0000 0.0000 2717.6601 6193.3226 300.1731 3475.6625 6226.8806 300.7938 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: 9954.79, 0.00391339/step Wall: 9954.79, 0.00391339/step, 0.0193495 hours remaining, 115.902344 MB of memory in use. ENERGY: 2482200 666.4473 1852.3800 1954.0664 106.2908 2.4199 -1115.3455 0.0000 0.0000 2713.3237 6179.5825 299.6942 3466.2588 6213.3604 298.6774 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: 9955.58, 0.00391242/step Wall: 9955.58, 0.00391242/step, 0.0191274 hours remaining, 115.902344 MB of memory in use. ENERGY: 2482400 661.8669 1833.2754 1976.0546 104.6519 3.1625 -1117.4233 0.0000 0.0000 2739.3361 6200.9242 302.5673 3461.5882 6235.4842 300.8062 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: 9956.36, 0.00391147/step Wall: 9956.36, 0.00391147/step, 0.0189054 hours remaining, 115.902344 MB of memory in use. ENERGY: 2482600 652.0359 1841.1464 1942.9410 125.7714 3.6513 -1096.0331 0.0000 0.0000 2707.2649 6176.7778 299.0250 3469.5128 6208.3190 300.5894 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: 9957.14, 0.00391067/step Wall: 9957.14, 0.00391067/step, 0.0186843 hours remaining, 115.902344 MB of memory in use. ENERGY: 2482800 646.2956 1869.6535 1968.7275 112.8178 3.0301 -1108.4836 0.0000 0.0000 2676.4147 6168.4557 295.6175 3492.0410 6202.9290 298.3304 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: 9957.92, 0.00390708/step Wall: 9957.92, 0.00390708/step, 0.0184501 hours remaining, 115.902344 MB of memory in use. ENERGY: 2483000 641.3518 1837.5937 1950.4836 105.4217 1.8091 -1124.4945 0.0000 0.0000 2721.3515 6133.5169 300.5809 3412.1654 6165.3262 298.3864 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: 9958.71, 0.00392804/step Wall: 9958.71, 0.00392804/step, 0.0183308 hours remaining, 115.902344 MB of memory in use. ENERGY: 2483200 648.5453 1841.4704 1926.4829 110.2650 5.1591 -1079.0231 0.0000 0.0000 2659.1237 6112.0234 293.7076 3452.8997 6143.4619 296.7046 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: 9959.49, 0.00391194/step Wall: 9959.49, 0.00391194/step, 0.0180384 hours remaining, 115.902344 MB of memory in use. ENERGY: 2483400 682.8145 1777.3085 1956.3733 104.5910 3.4607 -1077.2041 0.0000 0.0000 2700.1210 6147.4648 298.2359 3447.3439 6184.3438 296.5777 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: 9960.27, 0.00391183/step Wall: 9960.27, 0.00391183/step, 0.0178206 hours remaining, 115.902344 MB of memory in use. ENERGY: 2483600 667.8602 1882.6824 1945.8349 104.5475 4.3873 -1089.4380 0.0000 0.0000 2646.4419 6162.3161 292.3069 3515.8743 6193.9799 297.1842 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: 9961.05, 0.00390741/step Wall: 9961.05, 0.00390741/step, 0.0175833 hours remaining, 115.902344 MB of memory in use. ENERGY: 2483800 672.6749 1827.0212 1923.4318 102.4680 2.4049 -1126.7246 0.0000 0.0000 2734.9571 6136.2334 302.0836 3401.2762 6170.3535 298.9434 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: 9961.84, 0.00392063/step Wall: 9961.84, 0.00392063/step, 0.017425 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2484000 626.4750 1818.5874 1961.3787 125.0904 1.8026 -1062.6241 0.0000 0.0000 2691.9157 6162.6257 297.3296 3470.7100 6196.6391 297.6478 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: 9962.62, 0.00391235/step Wall: 9962.62, 0.00391235/step, 0.0171709 hours remaining, 115.902344 MB of memory in use. ENERGY: 2484200 669.2418 1820.8454 1951.7944 114.8983 4.3407 -1105.8414 0.0000 0.0000 2737.3973 6192.6765 302.3532 3455.2792 6229.0888 298.6146 LDB: ============= START OF LOAD BALANCING ============== 9965.32 LDB: ============== END OF LOAD BALANCING =============== 9965.32 LDB: =============== DONE WITH MIGRATION ================ 9965.32 LDB: ============= START OF LOAD BALANCING ============== 9965.71 LDB: ============== END OF LOAD BALANCING =============== 9965.71 LDB: =============== DONE WITH MIGRATION ================ 9965.71 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: 9963.4, 0.00391592/step Wall: 9963.4, 0.00391592/step, 0.016969 hours remaining, 115.902344 MB of memory in use. ENERGY: 2484400 675.7185 1847.6997 1979.6589 111.1760 5.5072 -1140.5344 0.0000 0.0000 2690.9394 6170.1654 297.2218 3479.2260 6203.6537 300.1417 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: 9964.19, 0.00390747/step Wall: 9964.19, 0.00390747/step, 0.0167153 hours remaining, 115.902344 MB of memory in use. ENERGY: 2484600 646.0165 1822.2250 1954.4153 94.4990 3.9564 -1099.8801 0.0000 0.0000 2709.9273 6131.1594 299.3190 3421.2321 6164.6441 297.1764 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: 9964.97, 0.00390595/step Wall: 9964.97, 0.00390595/step, 0.0164918 hours remaining, 115.902344 MB of memory in use. ENERGY: 2484800 648.8077 1799.1591 1926.2255 105.6234 3.8391 -1105.1087 0.0000 0.0000 2722.5744 6101.1205 300.7159 3378.5460 6137.3400 296.5915 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: 9965.75, 0.003909/step Wall: 9965.75, 0.003909/step, 0.0162875 hours remaining, 115.902344 MB of memory in use. ENERGY: 2485000 620.4100 1853.6604 1941.7060 115.7644 1.6692 -1140.3184 0.0000 0.0000 2684.0406 6076.9322 296.4598 3392.8916 6108.1721 295.5744 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: 9966.54, 0.0039399/step Wall: 9966.54, 0.0039399/step, 0.0161974 hours remaining, 115.902344 MB of memory in use. ENERGY: 2485200 599.1393 1879.6225 1963.7699 105.0436 3.0357 -1114.0125 0.0000 0.0000 2636.5573 6073.1556 291.2151 3436.5983 6106.0380 292.7599 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: 9967.32, 0.00391139/step Wall: 9967.32, 0.00391139/step, 0.0158628 hours remaining, 115.902344 MB of memory in use. ENERGY: 2485400 684.3356 1835.1822 1964.9642 101.7338 2.5485 -1146.9257 0.0000 0.0000 2691.2295 6133.0680 297.2538 3441.8385 6164.7744 294.3749 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: 9968.1, 0.00390732/step Wall: 9968.1, 0.00390731/step, 0.0156293 hours remaining, 115.902344 MB of memory in use. ENERGY: 2485600 650.6992 1844.0056 1964.3386 119.0292 2.3382 -1121.3131 0.0000 0.0000 2661.8668 6120.9645 294.0106 3459.0977 6153.1481 297.4353 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: 9968.88, 0.00390962/step Wall: 9968.88, 0.00390962/step, 0.0154213 hours remaining, 115.902344 MB of memory in use. ENERGY: 2485800 625.4469 1890.0771 1970.5524 121.5994 2.5036 -1090.2225 0.0000 0.0000 2654.9742 6174.9310 293.2493 3519.9568 6205.9039 296.3086 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: 9969.66, 0.00390936/step Wall: 9969.66, 0.00390936/step, 0.015203 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2486000 643.8234 1895.0969 1954.7756 113.8616 1.6402 -1096.7003 0.0000 0.0000 2655.0541 6167.5514 293.2581 3512.4973 6201.7772 297.4888 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: 9970.45, 0.00391057/step Wall: 9970.45, 0.00391057/step, 0.0149905 hours remaining, 115.902344 MB of memory in use. ENERGY: 2486200 647.3052 1825.1779 1942.3963 109.2107 1.8097 -1063.1856 0.0000 0.0000 2690.5620 6153.2763 297.1801 3462.7143 6187.5238 298.3230 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: 9971.23, 0.00392567/step Wall: 9971.23, 0.00392567/step, 0.0148303 hours remaining, 115.902344 MB of memory in use. ENERGY: 2486400 669.2009 1856.1244 1948.6677 106.6481 2.8247 -1084.1775 0.0000 0.0000 2659.5804 6158.8688 293.7581 3499.2884 6191.2358 297.9546 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: 9972.01, 0.0039108/step Wall: 9972.01, 0.0039108/step, 0.0145568 hours remaining, 115.902344 MB of memory in use. ENERGY: 2486600 649.2233 1829.0684 1970.1268 116.7845 1.6739 -1070.0536 0.0000 0.0000 2699.6221 6196.4454 298.1808 3496.8234 6228.6107 298.7660 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: 9972.8, 0.00391127/step Wall: 9972.8, 0.00391127/step, 0.0143413 hours remaining, 115.902344 MB of memory in use. ENERGY: 2486800 655.7942 1845.7461 1985.9844 126.3586 3.3879 -1062.9802 0.0000 0.0000 2662.2124 6216.5033 294.0488 3554.2909 6245.0096 299.1796 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: 9973.58, 0.0039102/step Wall: 9973.58, 0.00391021/step, 0.0141202 hours remaining, 115.902344 MB of memory in use. ENERGY: 2487000 654.1207 1826.9950 1952.4576 98.3480 0.9307 -1074.3921 0.0000 0.0000 2724.6404 6183.1002 300.9441 3458.4598 6216.2819 299.4329 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: 9974.36, 0.00390967/step Wall: 9974.36, 0.00390967/step, 0.0139011 hours remaining, 115.902344 MB of memory in use. ENERGY: 2487200 673.3214 1826.3291 1959.6794 109.9938 3.4301 -1068.4378 0.0000 0.0000 2625.6341 6129.9501 290.0086 3504.3159 6159.3256 296.0192 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: 9975.14, 0.00390504/step Wall: 9975.14, 0.00390504/step, 0.0136676 hours remaining, 115.902344 MB of memory in use. ENERGY: 2487400 629.2025 1816.2956 1950.5795 121.9721 2.6601 -1069.2885 0.0000 0.0000 2708.0735 6159.4947 299.1143 3451.4212 6191.0364 295.7182 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: 9975.92, 0.00390829/step Wall: 9975.92, 0.00390829/step, 0.0134619 hours remaining, 115.902344 MB of memory in use. ENERGY: 2487600 636.3966 1891.2950 1954.5009 114.0365 3.1051 -1092.8264 0.0000 0.0000 2676.6728 6183.1806 295.6460 3506.5078 6212.1813 299.2622 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: 9976.7, 0.00391088/step Wall: 9976.7, 0.00391088/step, 0.0132536 hours remaining, 115.902344 MB of memory in use. ENERGY: 2487800 629.8289 1851.8435 1929.7650 102.2683 2.6694 -1129.0431 0.0000 0.0000 2818.1184 6205.4504 311.2690 3387.3320 6241.0893 300.1367 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: 9977.49, 0.00391024/step Wall: 9977.49, 0.00391024/step, 0.0130341 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2488000 674.0475 1879.0611 1929.9338 115.9419 2.5393 -1075.9542 0.0000 0.0000 2708.3689 6233.9384 299.1469 3525.5695 6267.4210 301.2011 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: 9978.27, 0.00391182/step Wall: 9978.27, 0.00391182/step, 0.0128221 hours remaining, 115.902344 MB of memory in use. ENERGY: 2488200 683.2016 1865.8052 1973.4373 107.5057 2.8237 -1098.5983 0.0000 0.0000 2746.2693 6280.4444 303.3331 3534.1751 6314.2870 302.6606 LDB: ============= START OF LOAD BALANCING ============== 9980.97 LDB: ============== END OF LOAD BALANCING =============== 9980.97 LDB: =============== DONE WITH MIGRATION ================ 9980.97 LDB: ============= START OF LOAD BALANCING ============== 9981.36 LDB: ============== END OF LOAD BALANCING =============== 9981.36 LDB: =============== DONE WITH MIGRATION ================ 9981.36 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: 9979.05, 0.00391197/step Wall: 9979.05, 0.00391197/step, 0.0126052 hours remaining, 115.902344 MB of memory in use. ENERGY: 2488400 635.0663 1848.4310 1969.8800 107.5878 1.3971 -1071.6322 0.0000 0.0000 2710.9474 6201.6775 299.4317 3490.7301 6233.0958 303.5440 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: 9979.83, 0.0039098/step Wall: 9979.83, 0.0039098/step, 0.012381 hours remaining, 115.902344 MB of memory in use. ENERGY: 2488600 663.3931 1877.7543 1968.6122 101.6737 1.2970 -1082.5861 0.0000 0.0000 2636.9560 6167.1002 291.2591 3530.1442 6196.4074 297.3228 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: 9980.61, 0.00390887/step Wall: 9980.61, 0.00390887/step, 0.0121609 hours remaining, 115.902344 MB of memory in use. ENERGY: 2488800 617.9051 1897.6379 1970.7664 110.1844 2.6002 -1097.6127 0.0000 0.0000 2689.2432 6190.7243 297.0344 3501.4811 6223.9520 298.3568 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: 9981.4, 0.00390835/step Wall: 9981.4, 0.00390835/step, 0.0119422 hours remaining, 115.902344 MB of memory in use. ENERGY: 2489000 667.2952 1905.4950 1936.1011 116.5883 1.9255 -1136.4516 0.0000 0.0000 2702.7509 6193.7043 298.5264 3490.9534 6224.1189 301.6649 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: 9982.18, 0.00390914/step Wall: 9982.18, 0.00390914/step, 0.0117274 hours remaining, 115.902344 MB of memory in use. ENERGY: 2489200 672.0849 1834.5896 1974.1620 113.1352 2.9276 -1080.5971 0.0000 0.0000 2671.3586 6187.6608 295.0590 3516.3022 6218.4770 300.8602 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: 9982.96, 0.00390673/step Wall: 9982.96, 0.00390673/step, 0.0115031 hours remaining, 115.902344 MB of memory in use. ENERGY: 2489400 647.8122 1845.6272 1978.5550 117.3375 2.6048 -1107.9539 0.0000 0.0000 2738.0551 6222.0379 302.4258 3483.9828 6256.4350 301.0006 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: 9983.74, 0.00391026/step Wall: 9983.74, 0.00391026/step, 0.0112963 hours remaining, 115.902344 MB of memory in use. ENERGY: 2489600 697.9872 1897.2473 1957.2762 105.5860 2.6859 -1097.6992 0.0000 0.0000 2665.1549 6228.2383 294.3738 3563.0834 6259.8904 301.8630 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: 9984.52, 0.00391062/step Wall: 9984.52, 0.00391062/step, 0.0110801 hours remaining, 115.902344 MB of memory in use. ENERGY: 2489800 669.5648 1836.3313 1935.5799 104.9958 3.7342 -1100.5109 0.0000 0.0000 2745.0522 6194.7473 303.1987 3449.6951 6227.0894 301.0661 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: 9985.31, 0.0039101/step Wall: 9985.31, 0.0039101/step, 0.0108614 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2490000 631.8847 1862.5149 1956.8830 104.0941 2.8405 -1078.0063 0.0000 0.0000 2704.4593 6184.6702 298.7151 3480.2109 6218.4284 300.6662 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2490000 WRITING COORDINATES TO DCD FILE MD.1.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: 9987.14, 0.00919083/step Wall: 9987.14, 0.00919083/step, 0.0250195 hours remaining, 115.902344 MB of memory in use. ENERGY: 2490200 638.8632 1865.8468 1958.1162 114.8600 3.2710 -1087.5876 0.0000 0.0000 2711.5363 6204.9060 299.4967 3493.3696 6240.7377 300.7647 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: 9987.93, 0.00391211/step Wall: 9987.93, 0.00391211/step, 0.0104323 hours remaining, 115.902344 MB of memory in use. ENERGY: 2490400 618.1886 1931.8054 1953.5044 97.6869 2.4173 -1088.1747 0.0000 0.0000 2672.0652 6187.4931 295.1370 3515.4279 6220.6216 298.7467 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: 9988.71, 0.00391374/step Wall: 9988.71, 0.00391374/step, 0.0102192 hours remaining, 115.902344 MB of memory in use. ENERGY: 2490600 662.3176 1859.6312 1940.4542 120.0773 2.9118 -1101.9893 0.0000 0.0000 2693.3218 6176.7245 297.4849 3483.4027 6211.9745 298.7541 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: 9989.49, 0.00391165/step Wall: 9989.49, 0.00391165/step, 0.00999645 hours remaining, 115.902344 MB of memory in use. ENERGY: 2490800 648.1176 1882.3940 1954.3852 109.6086 2.3662 -1149.4015 0.0000 0.0000 2636.6504 6084.1204 291.2254 3447.4700 6112.8775 296.8916 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: 9990.27, 0.00391268/step Wall: 9990.27, 0.00391268/step, 0.00978169 hours remaining, 115.902344 MB of memory in use. ENERGY: 2491000 673.1790 1864.0774 1945.3256 97.2876 3.2798 -1117.0242 0.0000 0.0000 2714.0798 6180.2050 299.7777 3466.1252 6215.7006 297.0201 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: 9991.06, 0.00390624/step Wall: 9991.06, 0.00390624/step, 0.0095486 hours remaining, 115.902344 MB of memory in use. ENERGY: 2491200 658.9256 1837.9605 1963.4243 107.3341 2.4129 -1077.8399 0.0000 0.0000 2661.6416 6153.8592 293.9857 3492.2176 6187.9879 298.1853 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: 9991.84, 0.00390949/step Wall: 9991.84, 0.00390949/step, 0.00933933 hours remaining, 115.902344 MB of memory in use. ENERGY: 2491400 661.9334 1873.5395 1932.3003 115.3775 3.6374 -1074.2028 0.0000 0.0000 2692.1304 6204.7157 297.3533 3512.5853 6238.5319 296.7733 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: 9992.62, 0.00391063/step Wall: 9992.62, 0.00391063/step, 0.0091248 hours remaining, 115.902344 MB of memory in use. ENERGY: 2491600 687.5961 1862.8187 1951.1306 90.8789 3.1198 -1067.9815 0.0000 0.0000 2706.6508 6234.2134 298.9571 3527.5626 6268.6755 299.7157 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: 9993.4, 0.00390817/step Wall: 9993.4, 0.00390817/step, 0.00890193 hours remaining, 115.902344 MB of memory in use. ENERGY: 2491800 673.4451 1874.7676 1977.6860 105.8565 1.8324 -1097.6343 0.0000 0.0000 2689.3432 6225.2965 297.0454 3535.9533 6255.5442 301.5759 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: 9994.18, 0.00390589/step Wall: 9994.18, 0.00390589/step, 0.00867974 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2492000 639.1074 1887.3504 1970.8826 105.2842 1.9822 -1110.0128 0.0000 0.0000 2742.9871 6237.5811 302.9706 3494.5939 6270.2896 302.6965 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: 9994.96, 0.00390658/step Wall: 9994.96, 0.00390658/step, 0.00846425 hours remaining, 115.902344 MB of memory in use. ENERGY: 2492200 654.3953 1900.6524 1982.6467 115.8802 2.3100 -1137.6089 0.0000 0.0000 2714.1230 6232.3987 299.7824 3518.2757 6265.0310 301.8563 LDB: ============= START OF LOAD BALANCING ============== 9997.66 LDB: ============== END OF LOAD BALANCING =============== 9997.66 LDB: =============== DONE WITH MIGRATION ================ 9997.66 LDB: ============= START OF LOAD BALANCING ============== 9998.05 LDB: ============== END OF LOAD BALANCING =============== 9998.05 LDB: =============== DONE WITH MIGRATION ================ 9998.05 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: 9995.75, 0.00391159/step Wall: 9995.75, 0.00391159/step, 0.0082578 hours remaining, 115.902344 MB of memory in use. ENERGY: 2492400 653.6405 1855.0189 1985.8321 111.3390 2.6983 -1099.9112 0.0000 0.0000 2709.9815 6218.5991 299.3250 3508.6176 6252.5057 301.0083 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: 9996.53, 0.00390731/step Wall: 9996.53, 0.00390731/step, 0.00803168 hours remaining, 115.902344 MB of memory in use. ENERGY: 2492600 649.7262 1838.1610 1966.6819 118.4324 2.7776 -1079.2588 0.0000 0.0000 2711.9272 6208.4475 299.5399 3496.5203 6242.1986 299.7330 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: 9997.31, 0.00390885/step Wall: 9997.31, 0.00390885/step, 0.00781769 hours remaining, 115.902344 MB of memory in use. ENERGY: 2492800 620.1024 1842.8171 1971.2064 102.4344 3.6952 -1073.2760 0.0000 0.0000 2689.5823 6156.5619 297.0719 3466.9796 6190.6403 298.7019 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: 9998.09, 0.00390603/step Wall: 9998.09, 0.00390603/step, 0.00759507 hours remaining, 115.902344 MB of memory in use. ENERGY: 2493000 647.4355 1824.8152 1984.5136 109.1208 4.1189 -1142.9769 0.0000 0.0000 2713.3541 6140.3812 299.6975 3427.0271 6174.8631 297.4346 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: 9998.87, 0.00390966/step Wall: 9998.87, 0.00390966/step, 0.00738491 hours remaining, 115.902344 MB of memory in use. ENERGY: 2493200 640.6330 1808.3282 1993.4753 108.7667 3.9262 -1095.2595 0.0000 0.0000 2773.8978 6233.7678 306.3847 3459.8700 6267.7419 299.9785 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: 9999.65, 0.0039082/step Wall: 9999.65, 0.0039082/step, 0.00716503 hours remaining, 115.902344 MB of memory in use. ENERGY: 2493400 642.7424 1808.7239 1993.9135 111.7700 4.8245 -1084.0221 0.0000 0.0000 2778.1039 6256.0561 306.8493 3477.9522 6291.4134 301.8750 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: 10000.4, 0.00391155/step Wall: 10000.4, 0.00391155/step, 0.00695388 hours remaining, 115.902344 MB of memory in use. ENERGY: 2493600 637.0177 1826.1371 1972.6834 97.7050 3.4777 -1114.0765 0.0000 0.0000 2734.9861 6157.9305 302.0868 3422.9444 6192.0713 300.5683 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: 10001.2, 0.00390983/step Wall: 10001.2, 0.00390983/step, 0.0067336 hours remaining, 115.902344 MB of memory in use. ENERGY: 2493800 653.3922 1770.9277 1998.7461 115.3692 3.1333 -1092.0482 0.0000 0.0000 2714.8633 6164.3835 299.8642 3449.5203 6197.0050 297.7059 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: 10002, 0.00390656/step Wall: 10002, 0.00390656/step, 0.00651093 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2494000 632.4259 1832.5159 1975.3953 110.7990 2.4889 -1088.9702 0.0000 0.0000 2743.2557 6207.9105 303.0002 3464.6547 6243.4801 300.5089 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: 10002.8, 0.00390994/step Wall: 10002.8, 0.00390994/step, 0.00629935 hours remaining, 115.902344 MB of memory in use. ENERGY: 2494200 665.4960 1827.8769 1953.6603 99.7681 3.5989 -1126.2906 0.0000 0.0000 2769.8518 6193.9613 305.9378 3424.1095 6230.2863 300.4380 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: 10003.6, 0.00391142/step Wall: 10003.6, 0.00391142/step, 0.00608444 hours remaining, 115.902344 MB of memory in use. ENERGY: 2494400 660.5335 1864.9492 1994.5074 113.9298 3.5830 -1124.8899 0.0000 0.0000 2705.7129 6218.3258 298.8535 3512.6129 6251.5320 299.9732 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: 10004.3, 0.00391107/step Wall: 10004.3, 0.00391107/step, 0.00586661 hours remaining, 115.902344 MB of memory in use. ENERGY: 2494600 668.7577 1872.8032 1977.1543 113.2963 3.2880 -1116.8959 0.0000 0.0000 2725.3984 6243.8020 301.0278 3518.4036 6274.7283 302.7994 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: 10005.1, 0.00390429/step Wall: 10005.1, 0.00390429/step, 0.00563953 hours remaining, 115.902344 MB of memory in use. ENERGY: 2494800 657.1205 1808.5471 1980.1536 113.5143 4.5651 -1120.6445 0.0000 0.0000 2753.3578 6196.6140 304.1160 3443.2562 6231.2187 300.5692 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: 10005.9, 0.00391065/step Wall: 10005.9, 0.00391065/step, 0.00543145 hours remaining, 115.902344 MB of memory in use. ENERGY: 2495000 675.0680 1826.6820 1955.5040 115.7106 2.8195 -1111.5089 0.0000 0.0000 2689.7841 6154.0594 297.0942 3464.2752 6187.3878 300.4388 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: 10006.7, 0.00391301/step Wall: 10006.7, 0.003913/step, 0.00521733 hours remaining, 115.902344 MB of memory in use. ENERGY: 2495200 644.0316 1849.3267 1992.0515 108.2629 3.9122 -1129.4486 0.0000 0.0000 2687.5502 6155.6865 296.8474 3468.1364 6185.5663 298.1577 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: 10007.5, 0.00391223/step Wall: 10007.5, 0.00391224/step, 0.00499897 hours remaining, 115.902344 MB of memory in use. ENERGY: 2495400 635.7659 1848.3493 1952.1213 120.7129 2.9245 -1119.4716 0.0000 0.0000 2668.6599 6109.0621 294.7609 3440.4022 6140.4561 296.7470 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: 10008.3, 0.00391164/step Wall: 10008.3, 0.00391164/step, 0.00478089 hours remaining, 115.902344 MB of memory in use. ENERGY: 2495600 646.6473 1842.7319 1963.1372 93.6110 2.1876 -1119.4840 0.0000 0.0000 2707.8186 6136.6495 299.0861 3428.8310 6169.2444 297.5487 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: 10009, 0.00390801/step Wall: 10009, 0.00390801/step, 0.00455935 hours remaining, 115.902344 MB of memory in use. ENERGY: 2495800 679.9204 1870.4203 1959.0526 106.1278 2.6143 -1121.4143 0.0000 0.0000 2603.7564 6100.4775 287.5921 3496.7211 6133.4521 297.5012 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: 10009.8, 0.00391176/step Wall: 10009.8, 0.00391176/step, 0.0043464 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2496000 645.0578 1831.1955 1943.3457 107.0560 2.7022 -1101.7071 0.0000 0.0000 2669.4272 6097.0772 294.8457 3427.6500 6129.9884 295.9867 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: 10010.6, 0.00391064/step Wall: 10010.6, 0.00391064/step, 0.00412789 hours remaining, 115.902344 MB of memory in use. ENERGY: 2496200 632.3146 1862.0766 1949.5490 121.4099 1.8721 -1077.3268 0.0000 0.0000 2641.7738 6131.6693 291.7913 3489.8955 6162.8135 296.6862 LDB: ============= START OF LOAD BALANCING ============== 10013.3 LDB: ============== END OF LOAD BALANCING =============== 10013.3 LDB: =============== DONE WITH MIGRATION ================ 10013.3 LDB: ============= START OF LOAD BALANCING ============== 10013.7 LDB: ============== END OF LOAD BALANCING =============== 10013.7 LDB: =============== DONE WITH MIGRATION ================ 10013.7 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: 10011.4, 0.00391683/step Wall: 10011.4, 0.00391683/step, 0.00391683 hours remaining, 115.902344 MB of memory in use. ENERGY: 2496400 602.8584 1860.9573 1964.0256 112.4023 1.4622 -1120.2639 0.0000 0.0000 2745.0497 6166.4916 303.1984 3421.4419 6201.9019 297.4867 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: 10012.2, 0.00390611/step Wall: 10012.2, 0.00390612/step, 0.00368911 hours remaining, 115.902344 MB of memory in use. ENERGY: 2496600 638.6049 1825.1777 1970.6030 102.3914 1.1052 -1099.1097 0.0000 0.0000 2743.0863 6181.8589 302.9815 3438.7725 6214.1027 298.4952 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: 10012.9, 0.00391297/step Wall: 10012.9, 0.00391297/step, 0.00347819 hours remaining, 115.902344 MB of memory in use. ENERGY: 2496800 651.8789 1859.0641 1931.4779 94.6383 2.8607 -1099.4118 0.0000 0.0000 2709.2568 6149.7649 299.2450 3440.5081 6182.5702 298.1480 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: 10013.7, 0.00391361/step Wall: 10013.7, 0.00391361/step, 0.00326134 hours remaining, 115.902344 MB of memory in use. ENERGY: 2497000 678.9733 1847.5586 1932.9696 107.2437 0.6723 -1095.4151 0.0000 0.0000 2683.6318 6155.6342 296.4146 3472.0024 6188.6507 296.8033 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: 10014.5, 0.00391232/step Wall: 10014.5, 0.00391231/step, 0.00304291 hours remaining, 115.902344 MB of memory in use. ENERGY: 2497200 670.9945 1841.0075 1928.9219 113.1406 2.8841 -1098.2488 0.0000 0.0000 2707.1161 6165.8158 299.0085 3458.6997 6202.0970 298.2207 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: 10015.3, 0.00391125/step Wall: 10015.3, 0.00391126/step, 0.0028248 hours remaining, 115.902344 MB of memory in use. ENERGY: 2497400 653.9151 1815.5760 1953.6928 102.2191 2.9359 -1093.1984 0.0000 0.0000 2730.2068 6165.3473 301.5589 3435.1405 6198.2924 299.9715 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: 10016.1, 0.00390711/step Wall: 10016.1, 0.00390711/step, 0.00260474 hours remaining, 115.902344 MB of memory in use. ENERGY: 2497600 701.0918 1832.7287 1951.8475 120.7597 2.8245 -1133.6497 0.0000 0.0000 2711.9432 6187.5456 299.5417 3475.6024 6223.8634 300.4308 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: 10016.9, 0.00391469/step Wall: 10016.9, 0.00391469/step, 0.00239231 hours remaining, 115.902344 MB of memory in use. ENERGY: 2497800 648.8386 1844.4053 1973.6411 106.4949 2.8701 -1088.3500 0.0000 0.0000 2672.5689 6160.4689 295.1927 3487.9000 6194.6423 299.6506 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: 10017.6, 0.00391322/step Wall: 10017.6, 0.00391322/step, 0.00217401 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2498000 641.2570 1824.7312 1994.2123 113.7838 2.2201 -1087.3831 0.0000 0.0000 2680.1701 6168.9913 296.0323 3488.8212 6202.5094 298.0981 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: 10018.8, 0.00573934/step Wall: 10018.8, 0.00573934/step, 0.00286967 hours remaining, 115.902344 MB of memory in use. ENERGY: 2498200 641.7107 1805.0066 1986.5659 101.1511 2.5216 -1122.5374 0.0000 0.0000 2743.5053 6157.9238 303.0278 3414.4185 6191.7410 298.6361 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: 10019.6, 0.00393605/step Wall: 10019.6, 0.00393605/step, 0.00174935 hours remaining, 115.902344 MB of memory in use. ENERGY: 2498400 633.1835 1867.4873 1938.0719 116.8431 3.1081 -1057.0284 0.0000 0.0000 2698.5556 6200.2210 298.0630 3501.6655 6232.6590 298.1574 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: 10020.4, 0.00391417/step Wall: 10020.4, 0.00391417/step, 0.00152218 hours remaining, 115.902344 MB of memory in use. ENERGY: 2498600 667.3280 1862.2427 1962.9377 110.9567 2.9458 -1093.6757 0.0000 0.0000 2667.1307 6179.8659 294.5920 3512.7352 6214.6189 299.8221 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: 10021.1, 0.00390664/step Wall: 10021.1, 0.00390664/step, 0.00130221 hours remaining, 115.902344 MB of memory in use. ENERGY: 2498800 636.8329 1859.1007 1975.2218 107.4045 4.2849 -1084.0221 0.0000 0.0000 2757.2884 6256.1110 304.5502 3498.8226 6291.9057 301.9640 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: 10021.9, 0.0039141/step Wall: 10021.9, 0.0039141/step, 0.00108725 hours remaining, 115.902344 MB of memory in use. ENERGY: 2499000 645.2591 1843.5039 1974.6523 115.3369 2.4476 -1083.0046 0.0000 0.0000 2745.1936 6243.3888 303.2143 3498.1951 6279.7188 302.9344 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: 10022.7, 0.00391675/step Wall: 10022.7, 0.00391675/step, 0.000870389 hours remaining, 115.902344 MB of memory in use. ENERGY: 2499200 677.4671 1834.3450 1961.5923 118.2078 2.7612 -1093.4270 0.0000 0.0000 2742.7097 6243.6560 302.9399 3500.9463 6276.1038 302.1993 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: 10023.5, 0.00391366/step Wall: 10023.5, 0.00391366/step, 0.000652276 hours remaining, 115.902344 MB of memory in use. ENERGY: 2499400 658.0647 1839.3191 1943.9134 104.8093 2.9821 -1100.5283 0.0000 0.0000 2792.9188 6241.4790 308.4857 3448.5602 6278.2637 302.4847 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: 10024.3, 0.00391604/step Wall: 10024.3, 0.00391604/step, 0.000435115 hours remaining, 115.902344 MB of memory in use. ENERGY: 2499600 668.5382 1859.7393 1948.5931 109.7906 1.8043 -1031.9709 0.0000 0.0000 2675.4540 6231.9485 295.5113 3556.4945 6259.3172 303.3917 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: 10025.1, 0.00390815/step Wall: 10025.1, 0.00390815/step, 0.00021712 hours remaining, 115.902344 MB of memory in use. ENERGY: 2499800 659.9154 1915.3014 1933.5929 118.8985 1.7161 -1107.8226 0.0000 0.0000 2762.7755 6284.3772 305.1563 3521.6017 6319.0518 304.0500 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: 10025.8, 0.00391341/step Wall: 10025.8, 0.00391341/step, 0 hours remaining, 115.902344 MB of memory in use. ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG ENERGY: 2500000 654.3755 1861.4566 1969.0850 104.7143 2.5449 -1085.9745 0.0000 0.0000 2755.4214 6261.6231 304.3440 3506.2017 6293.8337 303.8382 WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 2500000 WRITING COORDINATES TO DCD FILE MD.1.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.1.dcd WRITING VELOCITIES TO OUTPUT FILE AT STEP 2500000 ==================================================== WallClock: 10028.292969 CPUTime: 10028.292969 Memory: 116.000000 MB [Partition 0][Node 0] End of program