LAMMPS (09 Jan 2020) # 3d EAM surface for global HD # nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92 # hop event on (100) surface is same distance # exchange event is 2 atoms moving same distance variable Tequil index 500.0 variable Vmax index 0.5 variable qfactor index 0.3 variable cutbond index 3.2 variable cutevent index 1.1 variable steps index 100000 variable nevent index 1000 variable zoom index 1.8 variable seed index 826626413 variable tol index 1.0e-15 units metal atom_style atomic atom_modify map array boundary p p p lattice fcc 3.92 Lattice spacing in x,y,z = 3.92 3.92 3.92 region box block 0 6 0 6 0 4 create_box 3 box Created orthogonal box = (0 0 0) to (23.52 23.52 15.68) 2 by 2 by 1 MPI processor grid create_atoms 1 box Created 576 atoms create_atoms CPU = 0.000653982 secs mass * 1.0 change_box all z final -0.1 5.0 boundary p p f orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6) create_atoms 2 single 3.5 3.5 4 Created 1 atoms create_atoms CPU = 5.60284e-05 secs # define frozen substrate and mobile atoms group adatom type 2 1 atoms in group adatom region base block INF INF INF INF 0 1.8 set region base type 3 288 settings made for type group base type 3 288 atoms in group base group mobile type 1 2 289 atoms in group mobile # pair style pair_style eam/alloy pair_coeff * * ptvoterlammps.eam Pt Pt Pt neighbor 0.5 bin neigh_modify every 1 delay 5 check yes fix 1 mobile nve fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes fix 2 mobile langevin 500.0 ${Tequil} 1.0 ${seed} zero yes fix 2 mobile langevin 500.0 500.0 1.0 ${seed} zero yes fix 2 mobile langevin 500.0 500.0 1.0 826626413 zero yes timestep 0.005 compute tmobile mobile temp thermo 100 thermo_modify temp tmobile WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:485) # thermal equilibration run 1000 Neighbor list info ... update every 1 steps, delay 5 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.07583 ghost atom cutoff = 6.07583 binsize = 3.03792, bins = 8 8 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair eam/alloy, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 3.328 | 3.328 | 3.328 Mbytes Step Temp E_pair E_mol TotEng Press 0 0 -3213.9136 0 -3213.9136 -51843.125 100 223.70164 -3209.0653 0 -3200.7375 -26575.84 200 345.18355 -3206.1371 0 -3193.2869 -42327.268 300 411.05681 -3203.8465 0 -3188.5442 -32455.226 400 446.05938 -3202.2976 0 -3185.6922 -35377.683 500 435.52439 -3200.2131 0 -3183.9999 -31477.028 600 474.70282 -3199.4049 0 -3181.7332 -34761.287 700 492.00191 -3201.1592 0 -3182.8435 -33036.989 800 440.88631 -3198.37 0 -3181.9572 -34669.762 900 475.14414 -3198.5845 0 -3180.8964 -31191.883 1000 476.87852 -3197.3442 0 -3179.5914 -33731.074 Loop time of 0.32812 on 4 procs for 1000 steps with 577 atoms Performance: 1316.591 ns/day, 0.018 hours/ns, 3047.663 timesteps/s 99.3% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.24701 | 0.2559 | 0.26123 | 1.1 | 77.99 Neigh | 0.016621 | 0.017332 | 0.018001 | 0.5 | 5.28 Comm | 0.036607 | 0.039526 | 0.046 | 1.9 | 12.05 Output | 0 | 0.00011289 | 0.00027895 | 0.0 | 0.03 Modify | 0.010864 | 0.011739 | 0.013 | 0.8 | 3.58 Other | | 0.003509 | | | 1.07 Nlocal: 144.25 ave 147 max 141 min Histogram: 1 0 0 1 0 0 0 0 1 1 Nghost: 527.5 ave 533 max 523 min Histogram: 1 0 0 0 2 0 0 0 0 1 Neighs: 3477.25 ave 3585 max 3399 min Histogram: 1 0 1 0 1 0 0 0 0 1 Total # of neighbors = 13909 Ave neighs/atom = 24.1057 Neighbor list builds = 91 Dangerous builds = 0 reset_timestep 0 # pin base so will not move during quenches fix freeze base setforce 0.0 0.0 0.0 # event detection compute event all event/displace ${cutevent} compute event all event/displace 1.1 # hyper/global fix HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil} fix HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil} fix HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil} fix HG mobile hyper/global 3.2 0.3 0.5 ${Tequil} fix HG mobile hyper/global 3.2 0.3 0.5 500.0 # thermo output thermo_style custom step temp pe f_HG f_HG[*] WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:708) thermo_modify lost ignore thermo_modify temp tmobile WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:485) thermo ${nevent} thermo 1000 # dump output options region substrate block INF INF INF INF 1.8 3.8 region adatoms block INF INF INF INF 3.8 INF variable acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms) dump 1 all image 1000000 global.*.jpg v_acolor type zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 dump 1 all image 1000000 global.*.jpg v_acolor type zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01 dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green # run hyper ${steps} ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1 hyper 100000 ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1 hyper 100000 1000 HG event min ${tol} ${tol} 1000 1000 dump 1 hyper 100000 1000 HG event min 1.0e-15 ${tol} 1000 1000 dump 1 hyper 100000 1000 HG event min 1.0e-15 1.0e-15 1000 1000 dump 1 WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:131) Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 6.07583 ghost atom cutoff = 6.07583 binsize = 3.03792, bins = 8 8 7 2 neighbor lists, perpetual/occasional/extra = 1 1 0 (1) pair eam/alloy, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard (2) fix hyper/global, occasional, copy from (1) attributes: half, newton on pair build: copy stencil: none bin: none Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 0 476.87852 -3197.3442 0 0 0 0 0 0 0 0 0 0 0 0 0 53 476.87852 -3217.9192 0 0 0 0 0 0 0 0 0 0 0 0 0 Loop time of 0.03334 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 0 476.87852 -3197.3442 0.33187212 2213.7063 0.17396269 129 131 5.9965398 0 0 0 3.3552688 0 0 0 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0 Loop time of 0.316692 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0 1059 487.34979 -3217.9192 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.15580737 0 0 3.9974111 6134.6092 0 0 Loop time of 0.0318432 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0 Loop time of 0.28388 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0 2057 522.93873 -3217.9192 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.15994166 0 0 4.0370436 10213.644 0 0 Loop time of 0.0298612 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0 Loop time of 0.278586 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0 3059 485.3853 -3217.9192 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.14220333 0 0 4.0370436 13331.739 0 0 Loop time of 0.0294401 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17575 0 0 4.0370436 14355.723 0 0 Loop time of 0.276319 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17575 0 0 4.0370436 14355.723 0 0 4060 522.88476 -3217.9192 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17315271 0 0 4.0370436 14355.723 0 0 Loop time of 0.0318875 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 5.9965398 0.17575 0 0 4.0370436 14355.723 0 0 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.1664 0 0 4.0370436 19342.466 0 0 Loop time of 0.27626 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.1664 0 0 4.0370436 19342.466 0 0 5054 462.24647 -3217.9192 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.16462208 0 0 4.0370436 19342.466 0 0 Loop time of 0.028037 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 5.9965398 0.1664 0 0 4.0370436 19342.466 0 0 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15583333 0 0 4.0370436 22854.021 0 0 Loop time of 0.349943 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15583333 0 0 4.0370436 22854.021 0 0 6054 463.33022 -3217.9192 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15444334 0 0 4.0370436 22854.021 0 0 Loop time of 0.045652 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 5.9965398 0.15583333 0 0 4.0370436 22854.021 0 0 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14885714 0 0 4.1079381 27854.511 0 0 Loop time of 0.325437 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14885714 0 0 4.1079381 27854.511 0 0 7055 496.34089 -3217.9192 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14769667 0 0 4.1079381 27854.511 0 0 Loop time of 0.0330945 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 5.9965398 0.14885714 0 0 4.1079381 27854.511 0 0 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 5.9965398 0.14075 0.00175 0 4.1079381 31930.231 0 0 Loop time of 0.315618 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 5.9965398 0.14075 0.00175 0 4.1079381 31930.231 0 0 8056 468.63017 -3217.9192 0 1 0.31412476 275 556 5.9965398 0.1397716 0.0017378352 0 4.1079381 31930.231 0 0 Loop time of 0.0316615 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 8000 468.63017 -3197.6685 0 1 0.31412476 275 556 5.9965398 0.14075 0.00175 0 4.1079381 31930.231 0 0 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 5.9965398 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 Loop time of 0.297179 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 5.9965398 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 9051 467.53307 -3217.9192 0 1 0.3075376 543 544 5.9965398 0.14804994 0.0015467904 0 4.1079381 35292.432 0 0 Loop time of 0.0277896 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 9000 467.53307 -3198.3982 0 1 0.3075376 543 544 5.9965398 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.1531 0.0014 0 4.1079381 40303.236 0 0 Loop time of 0.277951 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.1531 0.0014 0 4.1079381 40303.236 0 0 10061 496.73768 -3217.9192 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.15217175 0.0013915118 0 4.1079381 40303.236 0 0 Loop time of 0.0319217 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 5.9965398 0.1531 0.0014 0 4.1079381 40303.236 0 0 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 Loop time of 0.275999 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 11058 526.76049 -3217.9192 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15861819 0.0012660517 0 4.1079381 42710.668 0 0 Loop time of 0.0311032 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 5.9965398 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 Loop time of 0.274665 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 12053 488.24107 -3217.9192 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.1548992 0.0011615365 0 4.1079381 47154.117 0 0 Loop time of 0.0280858 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 5.9965398 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 5.9965398 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 Loop time of 0.28023 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 5.9965398 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 13055 467.87203 -3217.9192 0 1 0.32542353 275 556 5.9965398 0.14806588 0.0015319801 0 4.1079381 54700.864 0 0 Loop time of 0.028371 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 13000 467.87203 -3197.0681 0 1 0.32542353 275 556 5.9965398 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 Loop time of 0.388833 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 14059 494.97859 -3217.9192 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16814852 0.0014225763 0 4.1079381 55284.212 0 0 Loop time of 0.049931 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 5.9965398 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 5.9965398 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 Loop time of 0.335819 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 5.9965398 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 15056 487.47593 -3217.9192 0 1 0.30681413 124 135 5.9965398 0.16465197 0.0013283741 0 4.1079381 58845.637 0 0 Loop time of 0.0342811 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 15000 487.47593 -3196.3193 0 1 0.30681413 124 135 5.9965398 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.160375 0.00125 0 4.1079381 65959.225 0 0 Loop time of 0.329229 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.160375 0.00125 0 4.1079381 65959.225 0 0 16057 514.29619 -3217.9192 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.15980569 0.0012455627 0 4.1079381 65959.225 0 0 Loop time of 0.0350134 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 5.9965398 0.160375 0.00125 0 4.1079381 65959.225 0 0 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 Loop time of 0.306954 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 17052 518.58789 -3217.9192 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16039174 0.0011728829 0 4.1079381 70525.413 0 0 Loop time of 0.0273 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 5.9965398 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 Loop time of 0.280026 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 18056 505.83228 -3217.9192 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15595924 0.001107665 0 4.1079381 73252.823 0 0 Loop time of 0.0300361 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 5.9965398 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 Loop time of 0.274299 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 19052 527.41862 -3217.9192 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15546924 0.0010497586 0 4.1079381 75984.28 0 0 Loop time of 0.0271357 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 5.9965398 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15125 0.001 0 4.1079381 81688.471 0 0 Loop time of 0.275093 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15125 0.001 0 4.1079381 81688.471 0 0 20053 451.64207 -3217.9192 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15085025 0.000997357 0 4.1079381 81688.471 0 0 Loop time of 0.0279682 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 5.9965398 0.15125 0.001 0 4.1079381 81688.471 0 0 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 5.9965398 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 Loop time of 0.274319 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 5.9965398 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 21050 469.69339 -3217.9192 0 1 0.3308786 267 268 5.9965398 0.14817102 0.00095011876 0 4.1079381 87660.496 0 0 Loop time of 0.0260295 on 4 procs for 50 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 21000 469.69339 -3200.6427 0 1 0.3308786 267 268 5.9965398 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 5.9965398 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 Loop time of 0.274912 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 5.9965398 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 22054 473.26326 -3217.9192 0 1 0.31249141 544 555 5.9965398 0.14750159 0.00090686497 0 4.1079381 91920.285 0 0 Loop time of 0.0287687 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 22000 473.26326 -3199.3284 0 1 0.31249141 544 555 5.9965398 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 Loop time of 0.316591 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 23056 496.07543 -3217.9192 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15627169 0.0011276891 0 4.1079381 92558.536 0 0 Loop time of 0.0309402 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 5.9965398 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0 24000 465.43821 -3199.468 0 1 0.31415739 543 544 5.9965398 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 Loop time of 0.281169 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 24000 465.43821 -3199.468 0 1 0.31415739 543 544 5.9965398 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 24054 465.43821 -3217.9192 0 1 0.31415739 543 544 5.9965398 0.15431945 0.0010809013 0 4.1079381 97530.178 0 0 Loop time of 0.0290642 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 24000 465.43821 -3199.468 0 1 0.31415739 543 544 5.9965398 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15368 0.00104 0 4.1079381 103216.01 0 0 Loop time of 0.27509 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15368 0.00104 0 4.1079381 103216.01 0 0 25060 489.80528 -3217.9192 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15331205 0.00103751 0 4.1079381 103216.01 0 0 Loop time of 0.0317346 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 5.9965398 0.15368 0.00104 0 4.1079381 103216.01 0 0 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15788462 0.001 0 4.1079381 106857.47 0 0 Loop time of 0.27335 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15788462 0.001 0 4.1079381 106857.47 0 0 26053 454.33199 -3217.9192 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15756343 0.00099796569 0 4.1079381 106857.47 0 0 Loop time of 0.0280918 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 5.9965398 0.15788462 0.001 0 4.1079381 106857.47 0 0 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 Loop time of 0.275087 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 27056 493.26662 -3217.9192 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15357037 0.00096096984 0 4.1079381 114287.4 0 0 Loop time of 0.0291138 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 5.9965398 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 Loop time of 0.275233 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 28054 516.59709 -3217.9192 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15249162 0.00092678406 0 4.1079381 117735.24 0 0 Loop time of 0.0280442 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 5.9965398 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 5.9965398 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 Loop time of 0.276333 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 5.9965398 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 29059 498.78313 -3217.9192 0 1 0.43523955 543 544 5.9965398 0.15616504 0.00089473141 0 4.3557073 122569.32 0 0 Loop time of 0.0308874 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 29000 498.78313 -3197.7551 0 1 0.43523955 543 544 5.9965398 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 Loop time of 0.276663 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 30059 466.86137 -3217.9192 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15725739 0.00086496557 0 4.3557073 127229.34 0 0 Loop time of 0.0316901 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 5.9965398 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 5.9965398 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 Loop time of 0.284434 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 5.9965398 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 31053 471.12992 -3217.9192 0 1 0.30984418 567 572 5.9965398 0.15515409 0.00086948121 0 4.3557073 131258.9 0 0 Loop time of 0.0288937 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 31000 471.12992 -3199.7598 0 1 0.30984418 567 572 5.9965398 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 Loop time of 0.28104 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 32057 510.4372 -3217.9192 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.1530087 0.00084224974 0 4.3557073 136077.46 0 0 Loop time of 0.0306076 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 5.9965398 0.15328125 0.00084375 0 4.3557073 136077.46 0 0 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 Loop time of 0.283846 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 33055 517.9664 -3217.9192 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.1518681 0.00081682045 0 4.3557073 140653.16 0 0 Loop time of 0.0292696 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 5.9965398 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 Loop time of 0.289097 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 34053 539.21923 -3217.9192 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15064752 0.00079288168 0 4.3557073 146106.36 0 0 Loop time of 0.0301806 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 5.9965398 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 Loop time of 0.353728 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 35061 495.28481 -3217.9192 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14856964 0.00077008642 0 4.3557073 152132.21 0 0 Loop time of 0.0376461 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 5.9965398 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14975 0.00075 0 4.3557073 155779.35 0 0 Loop time of 0.280524 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14975 0.00075 0 4.3557073 155779.35 0 0 36058 522.02047 -3217.9192 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14950912 0.00074879361 0 4.3557073 155779.35 0 0 Loop time of 0.0309134 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 5.9965398 0.14975 0.00075 0 4.3557073 155779.35 0 0 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 Loop time of 0.269231 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 37055 493.66881 -3217.9192 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14761841 0.00072864661 0 4.3557073 159446.9 0 0 Loop time of 0.0280798 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 5.9965398 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 Loop time of 0.272717 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 38050 471.56021 -3217.9192 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.15030223 0.00070959264 0 4.3557073 161793.64 0 0 Loop time of 0.0257647 on 4 procs for 50 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 5.9965398 0.1505 0.00071052632 0 4.3557073 161793.64 0 0 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 Loop time of 0.269089 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 39062 488.60708 -3217.9192 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.1486099 0.00069120885 0 4.3557073 167145.63 0 0 Loop time of 0.031392 on 4 procs for 62 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 5.9965398 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15095 0.000675 0 4.3557073 171194.28 0 0 Loop time of 0.272165 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15095 0.000675 0 4.3557073 171194.28 0 0 40064 507.73002 -3217.9192 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15070887 0.00067392173 0 4.3557073 171194.28 0 0 Loop time of 0.0340878 on 4 procs for 64 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 5.9965398 0.15095 0.000675 0 4.3557073 171194.28 0 0 41000 479.11448 -3200.241 0 1 0.94094448 542 544 5.9965398 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0 Loop time of 0.276958 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 41000 479.11448 -3200.241 0 1 0.94094448 542 544 5.9965398 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0 41055 479.11448 -3217.9192 0 1 0.94094448 542 544 5.9965398 0.16458409 0.00065765437 0 5.4178316 171224.32 0 0 Loop time of 0.0284102 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 41000 479.11448 -3200.241 0.31626598 1541.0515 0.18185743 398 404 5.9965398 0.16480488 0.00065853659 2.3326665 5.4178316 171224.32 1 2 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 Loop time of 0.271138 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 42056 495.84675 -3217.9192 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.16901274 0.0011175575 2.3326665 5.4178316 174484.67 1 2 Loop time of 0.02821 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 42000 495.84675 -3198.6432 0.1729929 55.422961 0.24261343 275 264 5.9965398 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 5.9965398 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 Loop time of 0.271924 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 5.9965398 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 43054 533.30453 -3217.9192 0 1 0.34377427 263 577 5.9965398 0.17624379 0.0010916523 2.3326665 5.4178316 175038.14 1 2 Loop time of 0.028114 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 43000 533.30453 -3198.6415 0 1 0.34377427 263 577 5.9965398 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 5.9965398 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 Loop time of 0.278251 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 5.9965398 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 44056 497.19886 -3217.9192 0 1 0.32411085 262 264 5.9965398 0.17924914 0.001066824 2.3326665 5.4178316 175732.69 1 2 Loop time of 0.031158 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 44000 497.19886 -3199.3252 0 1 0.32411085 262 264 5.9965398 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2 45000 501.66497 -3198.3133 0 1 0.89133337 262 264 5.9965398 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2 Loop time of 0.272196 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 45000 501.66497 -3198.3133 0 1 0.89133337 262 264 5.9965398 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2 45053 501.66497 -3217.9192 0 1 0.89133337 262 264 5.9965398 0.18784543 0.0010432158 2.3326665 5.4178316 175885.32 1 2 Loop time of 0.0270572 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 45000 501.66497 -3198.3133 0.31380779 1455.5922 0.18306993 549 547 5.9965398 0.18806667 0.0010444444 2.332667 5.4178316 175885.32 2 4 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 Loop time of 0.270344 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 46058 512.99827 -3217.9192 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18522298 0.0010204525 2.332667 5.4178316 180703.66 2 4 Loop time of 0.0301486 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 46000 512.99827 -3198.7869 0.30973921 1324.4339 0.18505929 547 552 5.9965398 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 Loop time of 0.272036 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 47062 508.06284 -3217.9192 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18380009 0.00099868259 2.332667 5.4178316 186245.92 2 4 Loop time of 0.0319475 on 4 procs for 62 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 47000 508.06284 -3198.0819 0.17828926 62.67216 0.24064067 271 544 5.9965398 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4 48000 512.83356 -3200.0643 0 1 0.96810224 258 544 5.9965398 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4 Loop time of 0.271987 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 48000 512.83356 -3200.0643 0 1 0.96810224 258 544 5.9965398 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4 48051 512.83356 -3217.9192 0 1 0.96810224 258 544 5.9965398 0.19198352 0.00097812741 2.332667 5.5485401 188226.87 2 4 Loop time of 0.0269855 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 48000 512.83356 -3200.0643 0.36239559 4495.5483 0.15738105 280 407 5.9965398 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 3 6 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 Loop time of 0.267575 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 49054 490.9639 -3217.9192 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18972969 0.00095812778 2.332667 5.5485401 191519.1 3 6 Loop time of 0.027882 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 49000 490.9639 -3198.6936 0.21113624 134.32512 0.22802517 114 115 5.9965398 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 Loop time of 0.270223 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 50059 502.62206 -3217.9192 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.18827783 0.00093889211 2.332667 5.5485401 195910.67 3 6 Loop time of 0.0310777 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 50000 502.62206 -3199.7905 0.22799901 198.66723 0.22126947 119 400 5.9965398 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 Loop time of 0.271223 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 51055 508.29336 -3217.9192 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18887474 0.00092057585 2.332667 5.5485401 199067.94 3 6 Loop time of 0.0279394 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 51000 508.29336 -3198.9059 0.14109933 26.437299 0.25416947 264 275 5.9965398 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 5.9965398 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 Loop time of 0.269166 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 5.9965398 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 52061 506.84322 -3217.9192 0 1 0.35895473 264 275 5.9965398 0.19346536 0.00090278712 2.332667 5.5485401 199119.85 3 6 Loop time of 0.0310147 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 52000 506.84322 -3198.7391 0 1 0.35895473 264 275 5.9965398 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 5.9965398 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 Loop time of 0.270989 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 5.9965398 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 53056 477.74415 -3217.9192 0 1 0.31797782 264 275 5.9965398 0.19584967 0.00088585645 2.332667 5.5485401 200597.61 3 6 Loop time of 0.02994 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 53000 477.74415 -3199.3706 0 1 0.31797782 264 275 5.9965398 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 Loop time of 0.273062 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 54051 467.64603 -3217.9192 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19596307 0.00086954913 2.332667 5.5485401 203111.2 3 6 Loop time of 0.0263515 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 54000 467.64603 -3198.6476 0.12868765 19.820426 0.25852702 575 280 5.9965398 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 Loop time of 0.27205 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 55057 504.56378 -3217.9192 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.19319977 0.00085366075 2.332667 5.5485401 209967.08 3 6 Loop time of 0.0298902 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 55000 504.56378 -3198.2318 0.01979034 1.582988 0.29400296 556 567 5.9965398 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 Loop time of 0.270962 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 56052 564.45428 -3217.9192 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19228573 0.0008385071 2.332667 5.5485401 215831.27 3 6 Loop time of 0.0278887 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 56000 564.45428 -3198.7813 0.20223936 109.26492 0.23151007 78 91 5.9965398 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 Loop time of 0.276217 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 57059 515.72168 -3217.9192 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19190662 0.00082370879 2.332667 5.5485401 222695.11 3 6 Loop time of 0.0303024 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 57000 515.72168 -3198.6584 0.31159686 1382.7848 0.18415364 544 577 5.9965398 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 5.9965398 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 Loop time of 0.272211 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 5.9965398 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 58055 493.40021 -3217.9192 0 1 0.30931038 275 577 5.9965398 0.18971665 0.00080957713 2.332667 5.5485401 225894.02 3 6 Loop time of 0.029048 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 58000 493.40021 -3198.8621 0 1 0.30931038 275 577 5.9965398 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 Loop time of 0.274027 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 59052 459.13337 -3217.9192 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.18883357 0.00079590869 2.332667 5.5485401 232785.62 3 6 Loop time of 0.0262677 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 59000 459.13337 -3198.423 0.32299123 1801.3772 0.17849812 117 288 5.9965398 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 Loop time of 0.277467 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 60051 491.26878 -3217.9192 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.1866247 0.00078266807 2.332667 5.5485401 236949.88 3 6 Loop time of 0.0262483 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 60000 491.26878 -3198.9291 0.28012983 666.16416 0.19893876 560 567 5.9965398 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 Loop time of 0.273261 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 61053 469.65564 -3217.9192 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18429889 0.00076982294 2.332667 5.5485401 245720.88 3 6 Loop time of 0.0271676 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 61000 469.65564 -3198.3735 0.086199081 7.3934564 0.27291787 562 564 5.9965398 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 Loop time of 0.274032 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 62056 520.14843 -3217.9192 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18296377 0.00075738043 2.332667 5.5485401 250136.37 3 6 Loop time of 0.028944 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 62000 520.14843 -3198.5458 0.35275062 3593.8982 0.16280322 116 123 5.9965398 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 Loop time of 0.275961 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 63059 506.90141 -3217.9192 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18173457 0.00074533374 2.332667 5.5485401 257004.48 3 6 Loop time of 0.0309695 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 63000 506.90141 -3196.9575 0.019630501 1.5771264 0.29405188 577 555 5.9965398 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 Loop time of 0.277091 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 64053 435.29185 -3217.9192 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18045993 0.00073376735 2.332667 5.5485401 261196.79 3 6 Loop time of 0.0271819 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 64000 435.29185 -3197.3025 0.08981574 8.0408468 0.27172259 266 267 5.9965398 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 Loop time of 0.274965 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 65053 484.45338 -3217.9192 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17940756 0.00072248782 2.332667 5.5485401 267611.45 3 6 Loop time of 0.0277953 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 65000 484.45338 -3198.1013 0.27900382 648.98038 0.19944752 85 87 5.9965398 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 Loop time of 0.273037 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 66058 497.23553 -3217.9192 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17788913 0.00071149596 2.332667 5.5485401 274383.49 3 6 Loop time of 0.0307388 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 66000 497.23553 -3199.036 0.25525209 373.95984 0.20989193 412 411 5.9965398 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 Loop time of 0.277291 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 67055 488.34684 -3217.9192 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.1792111 0.00070091716 2.332667 5.5485401 274635.62 3 6 Loop time of 0.0298107 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 67000 488.34684 -3198.7152 0.27967841 659.2212 0.19914288 264 275 5.9965398 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 Loop time of 0.278847 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 68060 547.06201 -3217.9192 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17866588 0.00069056715 2.332667 5.5485401 277575.99 3 6 Loop time of 0.0320448 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 68000 547.06201 -3198.7151 0.11427629 14.185774 0.26349624 261 263 5.9965398 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 Loop time of 0.276989 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 69056 508.94771 -3217.9192 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18080978 0.00068060704 2.332667 5.5485401 279847.52 3 6 Loop time of 0.0288935 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 69000 508.94771 -3198.9475 0.10069537 10.350552 0.26809482 264 275 5.9965398 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 Loop time of 0.277847 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 70054 499.92534 -3217.9192 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18128872 0.00072800982 2.332667 5.5485401 281504.52 3 6 Loop time of 0.028778 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 70000 499.92534 -3198.5636 0.3528879 3605.3669 0.16272731 283 288 5.9965398 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 Loop time of 0.277017 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 71059 506.70688 -3217.9192 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18035717 0.00071771345 2.332667 5.5485401 286003.61 3 6 Loop time of 0.0308528 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 71000 506.70688 -3197.313 0.082678879 6.813425 0.27407627 541 543 5.9965398 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 5.9965398 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 Loop time of 0.277141 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 5.9965398 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 72053 464.23294 -3217.9192 0 1 0.31542276 275 577 5.9965398 0.1825323 0.0007078123 2.332667 5.5485401 286734.83 3 6 Loop time of 0.0284171 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 72000 464.23294 -3197.7357 0 1 0.31542276 275 577 5.9965398 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 Loop time of 0.278715 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 73054 529.30216 -3217.9192 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18380924 0.00069811372 2.332667 5.5485401 287872.93 3 6 Loop time of 0.0280678 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 73000 529.30216 -3198.1231 0.1005148 10.307265 0.26815543 411 416 5.9965398 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 Loop time of 0.274991 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 74055 490.65557 -3217.9192 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18309365 0.00068867733 2.332667 5.5485401 294766.16 3 6 Loop time of 0.0289814 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 74000 490.65557 -3199.6766 0.14904687 31.792497 0.25133954 111 116 5.9965398 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 Loop time of 0.273758 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 75053 475.22638 -3217.9192 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18199139 0.00073281548 2.332667 5.5485401 302150.54 3 6 Loop time of 0.0272248 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 75000 475.22638 -3198.1558 0.37341486 5805.6632 0.15094809 563 564 5.9965398 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 Loop time of 0.272244 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 76058 523.91803 -3217.9192 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18272897 0.00072313235 2.332667 5.5485401 304160.3 3 6 Loop time of 0.0292178 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 76000 523.91803 -3198.8966 0.038679316 2.4539737 0.28816267 263 264 5.9965398 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 5.9965398 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 Loop time of 0.276803 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 5.9965398 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 77059 511.16512 -3217.9192 0 1 0.31251901 264 275 5.9965398 0.18776522 0.00071373882 2.332667 5.5485401 304174.43 3 6 Loop time of 0.0309293 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 77000 511.16512 -3199.1926 0 1 0.31251901 264 275 5.9965398 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 Loop time of 0.277125 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 78062 554.58169 -3217.9192 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19022059 0.00094796444 2.332667 5.5485401 304438.98 3 6 Loop time of 0.032167 on 4 procs for 62 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 78000 554.58169 -3199.0107 0.022175428 1.6730858 0.29327193 263 264 5.9965398 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 Loop time of 0.27817 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 79057 523.97176 -3217.9192 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.1900401 0.00093603349 2.332667 5.5485401 306076.23 3 6 Loop time of 0.0299338 on 4 procs for 57 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 79000 523.97176 -3198.2366 0.1672356 48.490735 0.24473985 556 567 5.9965398 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 5.9965398 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 Loop time of 0.277236 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 5.9965398 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 80059 479.09781 -3217.9192 0 1 0.30854872 263 577 5.9965398 0.19007232 0.00092431832 2.332667 5.5485401 308522.09 3 6 Loop time of 0.0311648 on 4 procs for 59 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 80000 479.09781 -3197.6134 0 1 0.30854872 263 577 5.9965398 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 Loop time of 0.277146 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 81056 517.52613 -3217.9192 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18983172 0.00091294907 2.332667 5.5485401 311171.12 3 6 Loop time of 0.0298678 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 81000 517.52613 -3198.2236 0.29863857 1023.6251 0.19038135 254 256 5.9965398 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 Loop time of 0.276186 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 82055 503.95678 -3217.9192 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18849552 0.0010358906 2.332667 5.5485401 315319.38 3 6 Loop time of 0.0282569 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 82000 503.95678 -3197.7481 0.091495497 8.3605139 0.27116565 263 264 5.9965398 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 5.9965398 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 Loop time of 0.278013 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 5.9965398 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 83064 537.67639 -3217.9192 0 1 0.32414276 263 264 5.9965398 0.18955263 0.0010233073 2.332667 5.5485401 316613.84 3 6 Loop time of 0.0331041 on 4 procs for 64 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 83000 537.67639 -3197.6886 0 1 0.32414276 263 264 5.9965398 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 Loop time of 0.277083 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 84052 510.26841 -3217.9192 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.18988245 0.0010112787 2.332667 5.5485401 318598.08 3 6 Loop time of 0.0273927 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 84000 510.26841 -3199.5428 0.23554832 236.71181 0.21817723 142 424 5.9965398 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 5.9965398 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 Loop time of 0.277162 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 5.9965398 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 85055 472.16876 -3217.9192 0 1 0.34247044 264 275 5.9965398 0.18958321 0.00099935336 2.332667 5.5485401 323882.61 3 6 Loop time of 0.028803 on 4 procs for 55 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 85000 472.16876 -3197.5248 0 1 0.34247044 264 275 5.9965398 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 Loop time of 0.279566 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 86053 509.30024 -3217.9192 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19098695 0.00098776336 2.332667 5.5485401 325788.44 3 6 Loop time of 0.0286081 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 86000 509.30024 -3198.3226 0.20619306 119.76563 0.22996793 275 276 5.9965398 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 Loop time of 0.275685 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 87058 478.57944 -3217.9192 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.18966666 0.00097636059 2.332667 5.5485401 330047.59 3 6 Loop time of 0.0299653 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 87000 478.57944 -3199.3497 0.19192384 86.001287 0.23548611 260 271 5.9965398 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 Loop time of 0.273963 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 88050 515.63138 -3217.9192 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18816581 0.00096536059 2.332667 5.5485401 337304.34 3 6 Loop time of 0.0262729 on 4 procs for 50 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 88000 515.63138 -3198.9629 0.35491784 3779.2911 0.16160071 543 577 5.9965398 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6 89000 520.37063 -3197.8234 0 1 0.92013924 262 275 5.9965398 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6 Loop time of 0.276247 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 89000 520.37063 -3197.8234 0 1 0.92013924 262 275 5.9965398 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6 89052 520.37063 -3217.9192 0 1 0.92013924 262 275 5.9965398 0.19137133 0.00111171 2.332667 5.5485401 339909.57 3 6 Loop time of 0.0270152 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 89000 520.37063 -3197.8234 0.34652166 3110.1454 0.16621101 111 112 5.9965398 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 4 8 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 Loop time of 0.272635 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 90058 455.69218 -3217.9192 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.19037731 0.0010992916 2.332667 5.5485401 345606.41 4 8 Loop time of 0.0304691 on 4 procs for 58 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 90000 455.69218 -3197.8262 0.30521336 1192.3721 0.18724742 416 415 5.9965398 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 Loop time of 0.272004 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 91051 506.17768 -3217.9192 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18972883 0.0010873027 2.332667 5.5485401 350825.27 4 8 Loop time of 0.0266677 on 4 procs for 51 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 91000 506.17768 -3197.1344 0.035696451 2.2898339 0.28909279 547 548 5.9965398 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 5.9965398 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 Loop time of 0.271163 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 5.9965398 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 92060 478.3025 -3217.9192 0 1 0.30393958 544 556 5.9965398 0.19184228 0.0010753856 2.332667 5.5485401 352816.62 4 8 Loop time of 0.0311572 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 92000 478.3025 -3197.9483 0 1 0.30393958 544 556 5.9965398 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 Loop time of 0.272074 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 93056 485.23153 -3217.9192 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.19408743 0.0010638755 2.332667 5.5485401 354391.05 4 8 Loop time of 0.0298992 on 4 procs for 56 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 93000 485.23153 -3199.9299 0.16699022 48.215364 0.24483006 544 556 5.9965398 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 5.9965398 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 Loop time of 0.272173 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 5.9965398 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 94061 499.72991 -3217.9192 0 1 0.30394408 544 556 5.9965398 0.19431008 0.0010525085 2.332667 5.5485401 360147.54 4 8 Loop time of 0.0319443 on 4 procs for 61 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 94000 499.72991 -3199.3195 0 1 0.30394408 544 556 5.9965398 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 Loop time of 0.273026 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 95060 509.83941 -3217.9192 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.1966863 0.0010414475 2.332667 5.5485401 360599.28 4 8 Loop time of 0.031275 on 4 procs for 60 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 95000 509.83941 -3199.0903 0.078854869 6.234781 0.27532912 555 556 5.9965398 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 Loop time of 0.272012 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 96053 486.83779 -3217.9192 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19610007 0.001030681 2.332667 5.5485401 365489.89 4 8 Loop time of 0.0279008 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 96000 486.83779 -3197.2106 0.31070799 1354.5503 0.18458755 136 431 5.9965398 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 Loop time of 0.271972 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 97052 499.91835 -3217.9192 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19481309 0.0010200717 2.332667 5.5485401 372336.45 4 8 Loop time of 0.0270085 on 4 procs for 52 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 97000 499.91835 -3199.2446 0.2280334 198.82589 0.22125548 280 111 5.9965398 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 Loop time of 0.275821 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 98054 547.56456 -3217.9192 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1956371 0.0010096477 2.332667 5.5485401 377711.41 4 8 Loop time of 0.0288118 on 4 procs for 54 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 98000 547.56456 -3197.2191 0.27848637 641.23302 0.19968088 430 136 5.9965398 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 5.9965398 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 Loop time of 0.273905 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 5.9965398 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 99053 504.19627 -3217.9192 0 1 0.33814873 287 276 5.9965398 0.19506729 0.00099946493 2.332667 5.5485401 381676.19 4 8 Loop time of 0.0270357 on 4 procs for 53 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 99000 504.19627 -3196.6567 0 1 0.33814873 287 276 5.9965398 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8 100000 542.04702 -3198.2211 0.37630331 6208.2061 0.14921597 563 564 5.9965398 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8 Loop time of 0.273417 on 4 procs for 1000 steps with 577 atoms Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12] 100000 542.04702 -3198.2211 0.37630331 6208.2061 0.14921597 563 564 5.9965398 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8 100060 542.04702 -3217.9192 0.37630331 6208.2061 0.14921597 563 564 5.9965398 0.19430342 0.00098940636 2.332667 5.5485401 385211.4 4 8 Loop time of 0.0298654 on 4 procs for 60 steps with 577 atoms Final hyper stats ... Cummulative quantities for fix hyper: hyper time = 385211 time boost factor = 770.423 event timesteps = 4 # of atoms in events = 8 Quantities for this hyper run: event timesteps = 4 # of atoms in events = 8 max length of any bond = 5.54854 max drift distance of any atom = 2.33267 fraction of biased bonds with zero bias = 0.19442 fraction of biased bonds with negative strain = 0.00099 Current quantities: ave bonds/atom = 5.99654 Loop time of 31.4977 on 4 procs for 100000 steps with 577 atoms Performance: 1371.531 ns/day, 0.017 hours/ns, 3174.839 timesteps/s 101.1% CPU use with 4 MPI tasks x no OpenMP threads Hyper stats: Dynamics time (%) = 28.1374 (89.3318) Quench time (%) = 2.9881 (9.48673) Other time (%) = 0.783587 (2.48776) MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 23.341 | 23.526 | 23.801 | 3.6 | 74.69 Neigh | 1.4987 | 1.5551 | 1.628 | 4.0 | 4.94 Comm | 3.1241 | 3.1892 | 3.2505 | 3.2 | 10.13 Output | 0 | 0.0014506 | 0.0033743 | 3.9 | 0.00 Modify | 2.2355 | 2.4419 | 2.5791 | 8.1 | 7.75 Other | | 0.7836 | | | 2.49 Nlocal: 144.25 ave 152 max 139 min Histogram: 1 1 0 0 1 0 0 0 0 1 Nghost: 533.25 ave 538 max 526 min Histogram: 1 0 0 0 0 1 0 0 0 2 Neighs: 3368.25 ave 3528 max 3240 min Histogram: 1 1 0 0 0 0 1 0 0 1 Total # of neighbors = 13473 Ave neighs/atom = 23.3501 Neighbor list builds = 10072 Dangerous builds = 0 Total wall time: 0:00:31