forked from lijiext/lammps
1251 lines
126 KiB
Groff
1251 lines
126 KiB
Groff
LAMMPS (28 Feb 2019)
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# 3d EAM surface for global HD
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# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
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# hop event on (100) surface is same distance
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# exchange event is 2 atoms moving same distance
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variable Tequil index 500.0
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variable Vmax index 0.5
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variable qfactor index 0.3
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variable cutbond index 3.2
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variable cutevent index 1.1
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variable steps index 100000
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variable nevent index 1000
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variable zoom index 1.8
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variable seed index 826626413
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variable tol index 1.0e-15
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units metal
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atom_style atomic
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atom_modify map array
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boundary p p p
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lattice fcc 3.92
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Lattice spacing in x,y,z = 3.92 3.92 3.92
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region box block 0 6 0 6 0 4
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create_box 3 box
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Created orthogonal box = (0 0 0) to (23.52 23.52 15.68)
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2 by 2 by 1 MPI processor grid
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create_atoms 1 box
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Created 576 atoms
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Time spent = 0.000785828 secs
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mass * 1.0
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change_box all z final -0.1 5.0 boundary p p f
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orthogonal box = (0 0 -0.392) to (23.52 23.52 19.6)
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create_atoms 2 single 3.5 3.5 4
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Created 1 atoms
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Time spent = 5.79357e-05 secs
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# define frozen substrate and mobile atoms
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group adatom type 2
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1 atoms in group adatom
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region base block INF INF INF INF 0 1.8
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set region base type 3
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288 settings made for type
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group base type 3
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288 atoms in group base
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group mobile type 1 2
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289 atoms in group mobile
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# pair style
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pair_style eam/alloy
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pair_coeff * * ptvoterlammps.eam Pt Pt Pt
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neighbor 0.5 bin
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neigh_modify every 1 delay 5 check yes
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fix 1 mobile nve
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fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
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fix 2 mobile langevin 500.0 ${Tequil} 1.0 ${seed} zero yes
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fix 2 mobile langevin 500.0 500.0 1.0 ${seed} zero yes
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fix 2 mobile langevin 500.0 500.0 1.0 826626413 zero yes
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timestep 0.005
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compute tmobile mobile temp
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thermo 100
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thermo_modify temp tmobile
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487)
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# thermal equilibration
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run 1000
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Neighbor list info ...
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update every 1 steps, delay 5 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 6.07583
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ghost atom cutoff = 6.07583
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binsize = 3.03792, bins = 8 8 7
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair eam/alloy, perpetual
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attributes: half, newton on
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pair build: half/bin/atomonly/newton
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stencil: half/bin/3d/newton
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 3.327 | 3.327 | 3.327 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 0 -3213.9136 0 -3213.9136 -51843.125
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100 223.70164 -3209.0653 0 -3200.7375 -26575.84
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200 345.18355 -3206.1371 0 -3193.2869 -42327.268
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300 411.05681 -3203.8465 0 -3188.5442 -32455.226
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400 446.05938 -3202.2976 0 -3185.6922 -35377.683
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500 435.52439 -3200.2131 0 -3183.9999 -31477.028
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600 474.70282 -3199.4049 0 -3181.7332 -34761.287
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700 492.00191 -3201.1592 0 -3182.8435 -33036.989
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800 440.88631 -3198.37 0 -3181.9572 -34669.762
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900 475.14414 -3198.5845 0 -3180.8964 -31191.883
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1000 476.87852 -3197.3442 0 -3179.5914 -33731.074
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Loop time of 0.339602 on 4 procs for 1000 steps with 577 atoms
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Performance: 1272.077 ns/day, 0.019 hours/ns, 2944.623 timesteps/s
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98.7% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.25294 | 0.26196 | 0.27409 | 1.5 | 77.14
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Neigh | 0.017554 | 0.018856 | 0.020498 | 0.8 | 5.55
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Comm | 0.027196 | 0.040838 | 0.050409 | 4.2 | 12.03
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Output | 0.00025296 | 0.0002721 | 0.00030828 | 0.0 | 0.08
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Modify | 0.013425 | 0.014212 | 0.014999 | 0.5 | 4.18
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Other | | 0.00346 | | | 1.02
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Nlocal: 144.25 ave 147 max 141 min
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Histogram: 1 0 0 1 0 0 0 0 1 1
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Nghost: 527.5 ave 533 max 523 min
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Histogram: 1 0 0 0 2 0 0 0 0 1
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Neighs: 3477.25 ave 3585 max 3399 min
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Histogram: 1 0 1 0 1 0 0 0 0 1
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Total # of neighbors = 13909
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Ave neighs/atom = 24.1057
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Neighbor list builds = 91
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Dangerous builds = 0
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reset_timestep 0
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# pin base so will not move during quenches
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fix freeze base setforce 0.0 0.0 0.0
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# event detection
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compute event all event/displace ${cutevent}
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compute event all event/displace 1.1
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# hyper/global
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fix HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
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fix HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil}
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fix HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil}
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fix HG mobile hyper/global 3.2 0.3 0.5 ${Tequil}
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fix HG mobile hyper/global 3.2 0.3 0.5 500.0
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# thermo output
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thermo_style custom step temp pe f_HG f_HG[*]
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WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)
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thermo_modify lost ignore
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thermo_modify temp tmobile
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:487)
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thermo ${nevent}
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thermo 1000
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# dump output options
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region substrate block INF INF INF INF 1.8 3.8
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region adatoms block INF INF INF INF 3.8 INF
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variable acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
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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
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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
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dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green
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# run
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hyper ${steps} ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
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hyper 100000 ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
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hyper 100000 1000 HG event min ${tol} ${tol} 1000 1000 dump 1
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hyper 100000 1000 HG event min 1.0e-15 ${tol} 1000 1000 dump 1
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hyper 100000 1000 HG event min 1.0e-15 1.0e-15 1000 1000 dump 1
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WARNING: Resetting reneighboring criteria during hyper (../hyper.cpp:133)
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 6.07583
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ghost atom cutoff = 6.07583
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binsize = 3.03792, bins = 8 8 7
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2 neighbor lists, perpetual/occasional/extra = 1 1 0
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(1) pair eam/alloy, perpetual
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attributes: half, newton on
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pair build: half/bin/atomonly/newton
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stencil: half/bin/3d/newton
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bin: standard
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(2) fix hyper/global, occasional, copy from (1)
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attributes: half, newton on
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pair build: copy
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stencil: none
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bin: none
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Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes
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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]
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0 476.87852 -3197.3442 0 0 0 0 0 0 0 0 0 0 0 0 0
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53 476.87852 -3217.9192 0 0 0 0 0 0 0 0 0 0 0 0 0
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Loop time of 0.0358047 on 4 procs for 53 steps with 577 atoms
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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]
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0 476.87852 -3197.3442 0.33187212 2213.7063 0.17396269 129 131 6.0069324 0 0 0 3.3552688 0 0 0
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1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.165 0 0 3.9974111 6134.6092 0 0
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Loop time of 0.342707 on 4 procs for 1000 steps with 577 atoms
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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]
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1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.165 0 0 3.9974111 6134.6092 0 0
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1059 487.34979 -3217.9192 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.15580737 0 0 3.9974111 6134.6092 0 0
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Loop time of 0.0359111 on 4 procs for 59 steps with 577 atoms
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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]
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1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 6.0069324 0.165 0 0 3.9974111 6134.6092 0 0
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2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.1645 0 0 4.0370436 10213.644 0 0
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Loop time of 0.305975 on 4 procs for 1000 steps with 577 atoms
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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]
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2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.1645 0 0 4.0370436 10213.644 0 0
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2057 522.93873 -3217.9192 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.15994166 0 0 4.0370436 10213.644 0 0
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Loop time of 0.0335248 on 4 procs for 57 steps with 577 atoms
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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]
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2000 522.93873 -3197.4748 0.1540961 35.745265 0.24952495 120 131 6.0069324 0.1645 0 0 4.0370436 10213.644 0 0
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3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.145 0 0 4.0370436 13331.739 0 0
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Loop time of 0.269706 on 4 procs for 1000 steps with 577 atoms
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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]
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3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.145 0 0 4.0370436 13331.739 0 0
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3059 485.3853 -3217.9192 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.14220333 0 0 4.0370436 13331.739 0 0
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Loop time of 0.0265908 on 4 procs for 59 steps with 577 atoms
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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]
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3000 485.3853 -3198.0446 0.081070047 6.563707 0.27460406 120 131 6.0069324 0.145 0 0 4.0370436 13331.739 0 0
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4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17575 0 0 4.0370436 14355.723 0 0
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Loop time of 0.229504 on 4 procs for 1000 steps with 577 atoms
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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]
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4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17575 0 0 4.0370436 14355.723 0 0
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4060 522.88476 -3217.9192 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17315271 0 0 4.0370436 14355.723 0 0
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Loop time of 0.0280094 on 4 procs for 60 steps with 577 atoms
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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]
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4000 522.88476 -3199.0496 0.020170911 1.5970319 0.29388643 548 555 6.0069324 0.17575 0 0 4.0370436 14355.723 0 0
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5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.1664 0 0 4.0370436 19342.466 0 0
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Loop time of 0.234847 on 4 procs for 1000 steps with 577 atoms
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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]
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5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.1664 0 0 4.0370436 19342.466 0 0
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5054 462.24647 -3217.9192 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.16462208 0 0 4.0370436 19342.466 0 0
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Loop time of 0.026547 on 4 procs for 54 steps with 577 atoms
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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]
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5000 462.24647 -3197.3076 0.11575138 14.679837 0.26299192 130 132 6.0069324 0.1664 0 0 4.0370436 19342.466 0 0
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6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15583333 0 0 4.0370436 22854.021 0 0
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Loop time of 0.244725 on 4 procs for 1000 steps with 577 atoms
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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]
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6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15583333 0 0 4.0370436 22854.021 0 0
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6054 463.33022 -3217.9192 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15444334 0 0 4.0370436 22854.021 0 0
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Loop time of 0.0267512 on 4 procs for 54 steps with 577 atoms
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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]
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6000 463.33022 -3196.1897 0.37378421 5855.6457 0.15072771 122 123 6.0069324 0.15583333 0 0 4.0370436 22854.021 0 0
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7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14885714 0 0 4.1079381 27854.511 0 0
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Loop time of 0.229727 on 4 procs for 1000 steps with 577 atoms
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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]
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7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14885714 0 0 4.1079381 27854.511 0 0
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7055 496.34089 -3217.9192 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14769667 0 0 4.1079381 27854.511 0 0
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Loop time of 0.0260235 on 4 procs for 55 steps with 577 atoms
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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]
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7000 496.34089 -3198.1795 0.29031005 843.70994 0.19427864 547 552 6.0069324 0.14885714 0 0 4.1079381 27854.511 0 0
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8000 468.63017 -3197.6685 0 1 0.31412476 275 556 6.0069324 0.14075 0.00175 0 4.1079381 31930.231 0 0
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Loop time of 0.230083 on 4 procs for 1000 steps with 577 atoms
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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]
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8000 468.63017 -3197.6685 0 1 0.31412476 275 556 6.0069324 0.14075 0.00175 0 4.1079381 31930.231 0 0
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8056 468.63017 -3217.9192 0 1 0.31412476 275 556 6.0069324 0.1397716 0.0017378352 0 4.1079381 31930.231 0 0
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Loop time of 0.0261552 on 4 procs for 56 steps with 577 atoms
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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]
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8000 468.63017 -3197.6685 0 1 0.31412476 275 556 6.0069324 0.14075 0.00175 0 4.1079381 31930.231 0 0
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9000 467.53307 -3198.3982 0 1 0.3075376 543 544 6.0069324 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0
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Loop time of 0.22948 on 4 procs for 1000 steps with 577 atoms
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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]
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9000 467.53307 -3198.3982 0 1 0.3075376 543 544 6.0069324 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0
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9051 467.53307 -3217.9192 0 1 0.3075376 543 544 6.0069324 0.14804994 0.0015467904 0 4.1079381 35292.432 0 0
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Loop time of 0.0240657 on 4 procs for 51 steps with 577 atoms
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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]
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9000 467.53307 -3198.3982 0 1 0.3075376 543 544 6.0069324 0.14888889 0.0015555556 0 4.1079381 35292.432 0 0
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10000 496.73768 -3197.9106 0.11921512 15.908682 0.26180389 543 548 6.0069324 0.1531 0.0014 0 4.1079381 40303.236 0 0
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Loop time of 0.237951 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 6.0069324 0.1531 0.0014 0 4.1079381 40303.236 0 0
|
|
10061 496.73768 -3217.9192 0.11921512 15.908682 0.26180389 543 548 6.0069324 0.15217175 0.0013915118 0 4.1079381 40303.236 0 0
|
|
Loop time of 0.0275102 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 6.0069324 0.1531 0.0014 0 4.1079381 40303.236 0 0
|
|
11000 526.76049 -3199.3263 0.24399827 287.99939 0.21466325 408 419 6.0069324 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0
|
|
Loop time of 0.226262 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 6.0069324 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0
|
|
11058 526.76049 -3217.9192 0.24399827 287.99939 0.21466325 408 419 6.0069324 0.15861819 0.0012660517 0 4.1079381 42710.668 0 0
|
|
Loop time of 0.0257103 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 6.0069324 0.15945455 0.0012727273 0 4.1079381 42710.668 0 0
|
|
12000 488.24107 -3198.2441 0.34073209 2719.0951 0.16931693 409 400 6.0069324 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0
|
|
Loop time of 0.226415 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 6.0069324 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0
|
|
12053 488.24107 -3217.9192 0.34073209 2719.0951 0.16931693 409 400 6.0069324 0.1548992 0.0011615365 0 4.1079381 47154.117 0 0
|
|
Loop time of 0.0232868 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 6.0069324 0.15558333 0.0011666667 0 4.1079381 47154.117 0 0
|
|
13000 467.87203 -3197.0681 0 1 0.32542353 275 556 6.0069324 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0
|
|
Loop time of 0.234386 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 6.0069324 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0
|
|
13055 467.87203 -3217.9192 0 1 0.32542353 275 556 6.0069324 0.14806588 0.0015319801 0 4.1079381 54700.864 0 0
|
|
Loop time of 0.0268174 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 6.0069324 0.14869231 0.0015384615 0 4.1079381 54700.864 0 0
|
|
14000 494.97859 -3197.9767 0.061678009 4.1849114 0.2808878 544 555 6.0069324 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0
|
|
Loop time of 0.236772 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 6.0069324 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0
|
|
14059 494.97859 -3217.9192 0.061678009 4.1849114 0.2808878 544 555 6.0069324 0.16814852 0.0014225763 0 4.1079381 55284.212 0 0
|
|
Loop time of 0.0262685 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 6.0069324 0.16885714 0.0014285714 0 4.1079381 55284.212 0 0
|
|
15000 487.47593 -3196.3193 0 1 0.30681413 124 135 6.0069324 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0
|
|
Loop time of 0.228132 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 6.0069324 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0
|
|
15056 487.47593 -3217.9192 0 1 0.30681413 124 135 6.0069324 0.16465197 0.0013283741 0 4.1079381 58845.637 0 0
|
|
Loop time of 0.0253892 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 6.0069324 0.16526667 0.0013333333 0 4.1079381 58845.637 0 0
|
|
16000 514.29619 -3198.6976 0.15192442 33.988268 0.25030702 287 568 6.0069324 0.160375 0.00125 0 4.1079381 65959.225 0 0
|
|
Loop time of 0.226636 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 6.0069324 0.160375 0.00125 0 4.1079381 65959.225 0 0
|
|
16057 514.29619 -3217.9192 0.15192442 33.988268 0.25030702 287 568 6.0069324 0.15980569 0.0012455627 0 4.1079381 65959.225 0 0
|
|
Loop time of 0.0258105 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 6.0069324 0.160375 0.00125 0 4.1079381 65959.225 0 0
|
|
17000 518.58789 -3197.5021 0.1333678 22.094631 0.25689258 116 123 6.0069324 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0
|
|
Loop time of 0.233751 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 6.0069324 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0
|
|
17052 518.58789 -3217.9192 0.1333678 22.094631 0.25689258 116 123 6.0069324 0.16039174 0.0011728829 0 4.1079381 70525.413 0 0
|
|
Loop time of 0.0248473 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 6.0069324 0.16088235 0.0011764706 0 4.1079381 70525.413 0 0
|
|
18000 505.83228 -3198.9838 0.08205079 6.7148239 0.27428244 552 563 6.0069324 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0
|
|
Loop time of 0.240134 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 6.0069324 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0
|
|
18056 505.83228 -3217.9192 0.08205079 6.7148239 0.27428244 552 563 6.0069324 0.15595924 0.001107665 0 4.1079381 73252.823 0 0
|
|
Loop time of 0.0243995 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 6.0069324 0.15644444 0.0011111111 0 4.1079381 73252.823 0 0
|
|
19000 527.41862 -3198.5008 0.040305357 2.5483534 0.28765437 424 263 6.0069324 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0
|
|
Loop time of 0.22821 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 6.0069324 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0
|
|
19052 527.41862 -3217.9192 0.040305357 2.5483534 0.28765437 424 263 6.0069324 0.15546924 0.0010497586 0 4.1079381 75984.28 0 0
|
|
Loop time of 0.0237539 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 6.0069324 0.15589474 0.0010526316 0 4.1079381 75984.28 0 0
|
|
20000 451.64207 -3198.7796 0.047092391 2.9831142 0.28552298 570 403 6.0069324 0.15125 0.001 0 4.1079381 81688.471 0 0
|
|
Loop time of 0.226179 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 6.0069324 0.15125 0.001 0 4.1079381 81688.471 0 0
|
|
20053 451.64207 -3217.9192 0.047092391 2.9831142 0.28552298 570 403 6.0069324 0.15085025 0.000997357 0 4.1079381 81688.471 0 0
|
|
Loop time of 0.0244102 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 6.0069324 0.15125 0.001 0 4.1079381 81688.471 0 0
|
|
21000 469.69339 -3200.6427 0 1 0.3308786 267 268 6.0069324 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0
|
|
Loop time of 0.234504 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 6.0069324 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0
|
|
21050 469.69339 -3217.9192 0 1 0.3308786 267 268 6.0069324 0.14817102 0.00095011876 0 4.1079381 87660.496 0 0
|
|
Loop time of 0.0231035 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 6.0069324 0.14852381 0.00095238095 0 4.1079381 87660.496 0 0
|
|
22000 473.26326 -3199.3284 0 1 0.31249141 544 555 6.0069324 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0
|
|
Loop time of 0.235723 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 6.0069324 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0
|
|
22054 473.26326 -3217.9192 0 1 0.31249141 544 555 6.0069324 0.14750159 0.00090686497 0 4.1079381 91920.285 0 0
|
|
Loop time of 0.024776 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 6.0069324 0.14786364 0.00090909091 0 4.1079381 91920.285 0 0
|
|
23000 496.07543 -3198.2605 0.30577111 1207.9075 0.18697914 572 403 6.0069324 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0
|
|
Loop time of 0.229916 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 6.0069324 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0
|
|
23056 496.07543 -3217.9192 0.30577111 1207.9075 0.18697914 572 403 6.0069324 0.15627169 0.0011276891 0 4.1079381 92558.536 0 0
|
|
Loop time of 0.0252325 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 6.0069324 0.15665217 0.0011304348 0 4.1079381 92558.536 0 0
|
|
24000 465.43821 -3199.468 0 1 0.31415739 543 544 6.0069324 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0
|
|
Loop time of 0.231022 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 6.0069324 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0
|
|
24054 465.43821 -3217.9192 0 1 0.31415739 543 544 6.0069324 0.15431945 0.0010809013 0 4.1079381 97530.178 0 0
|
|
Loop time of 0.0246248 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 6.0069324 0.15466667 0.0010833333 0 4.1079381 97530.178 0 0
|
|
25000 489.80528 -3200.439 0.25812453 399.74019 0.20865662 543 544 6.0069324 0.15368 0.00104 0 4.1079381 103216.01 0 0
|
|
Loop time of 0.239562 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 6.0069324 0.15368 0.00104 0 4.1079381 103216.01 0 0
|
|
25060 489.80528 -3217.9192 0.25812453 399.74019 0.20865662 543 544 6.0069324 0.15331205 0.00103751 0 4.1079381 103216.01 0 0
|
|
Loop time of 0.0290521 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 6.0069324 0.15368 0.00104 0 4.1079381 103216.01 0 0
|
|
26000 454.33199 -3197.9264 0.15449017 36.073692 0.24938278 283 272 6.0069324 0.15788462 0.001 0 4.1079381 106857.47 0 0
|
|
Loop time of 0.231679 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 6.0069324 0.15788462 0.001 0 4.1079381 106857.47 0 0
|
|
26053 454.33199 -3217.9192 0.15449017 36.073692 0.24938278 283 272 6.0069324 0.15756343 0.00099796569 0 4.1079381 106857.47 0 0
|
|
Loop time of 0.0229361 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 6.0069324 0.15788462 0.001 0 4.1079381 106857.47 0 0
|
|
27000 493.26662 -3198.8515 0.17523126 58.378293 0.24178166 260 271 6.0069324 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0
|
|
Loop time of 0.228356 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 6.0069324 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0
|
|
27056 493.26662 -3217.9192 0.17523126 58.378293 0.24178166 260 271 6.0069324 0.15357037 0.00096096984 0 4.1079381 114287.4 0 0
|
|
Loop time of 0.0249045 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 6.0069324 0.15388889 0.00096296296 0 4.1079381 114287.4 0 0
|
|
28000 516.59709 -3198.7939 0.017083929 1.486614 0.29483028 543 548 6.0069324 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0
|
|
Loop time of 0.226666 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 6.0069324 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0
|
|
28054 516.59709 -3217.9192 0.017083929 1.486614 0.29483028 543 548 6.0069324 0.15249162 0.00092678406 0 4.1079381 117735.24 0 0
|
|
Loop time of 0.0245788 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 6.0069324 0.15278571 0.00092857143 0 4.1079381 117735.24 0 0
|
|
29000 498.78313 -3197.7551 0 1 0.43523955 543 544 6.0069324 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0
|
|
Loop time of 0.239195 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 6.0069324 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0
|
|
29059 498.78313 -3217.9192 0 1 0.43523955 543 544 6.0069324 0.15616504 0.00089473141 0 4.3557073 122569.32 0 0
|
|
Loop time of 0.0290976 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 6.0069324 0.15648276 0.00089655172 0 4.3557073 122569.32 0 0
|
|
30000 466.86137 -3199.5233 0.23621441 240.39961 0.21790229 126 127 6.0069324 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0
|
|
Loop time of 0.232616 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 6.0069324 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0
|
|
30059 466.86137 -3217.9192 0.23621441 240.39961 0.21790229 126 127 6.0069324 0.15725739 0.00086496557 0 4.3557073 127229.34 0 0
|
|
Loop time of 0.0269623 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 6.0069324 0.15756667 0.00086666667 0 4.3557073 127229.34 0 0
|
|
31000 471.12992 -3199.7598 0 1 0.30984418 567 572 6.0069324 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0
|
|
Loop time of 0.229214 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 6.0069324 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0
|
|
31053 471.12992 -3217.9192 0 1 0.30984418 567 572 6.0069324 0.15515409 0.00086948121 0 4.3557073 131258.9 0 0
|
|
Loop time of 0.0240388 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 6.0069324 0.15541935 0.00087096774 0 4.3557073 131258.9 0 0
|
|
32000 510.4372 -3198.4263 0.38770138 8088.2308 0.14217507 511 546 6.0069324 0.15328125 0.00084375 0 4.3557073 136077.46 0 0
|
|
Loop time of 0.230157 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 6.0069324 0.15328125 0.00084375 0 4.3557073 136077.46 0 0
|
|
32057 510.4372 -3217.9192 0.38770138 8088.2308 0.14217507 511 546 6.0069324 0.1530087 0.00084224974 0 4.3557073 136077.46 0 0
|
|
Loop time of 0.0259738 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 6.0069324 0.15328125 0.00084375 0 4.3557073 136077.46 0 0
|
|
33000 517.9664 -3198.8477 0.065094278 4.5302347 0.27979105 136 255 6.0069324 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0
|
|
Loop time of 0.240719 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 6.0069324 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0
|
|
33055 517.9664 -3217.9192 0.065094278 4.5302347 0.27979105 136 255 6.0069324 0.1518681 0.00081682045 0 4.3557073 140653.16 0 0
|
|
Loop time of 0.0254009 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 6.0069324 0.15212121 0.00081818182 0 4.3557073 140653.16 0 0
|
|
34000 539.21923 -3197.9619 0.10137745 10.515709 0.26786575 119 400 6.0069324 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0
|
|
Loop time of 0.228472 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 6.0069324 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0
|
|
34053 539.21923 -3217.9192 0.10137745 10.515709 0.26786575 119 400 6.0069324 0.15064752 0.00079288168 0 4.3557073 146106.36 0 0
|
|
Loop time of 0.0239374 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 6.0069324 0.15088235 0.00079411765 0 4.3557073 146106.36 0 0
|
|
35000 495.28481 -3198.2101 0.03728079 2.3756005 0.28859913 543 544 6.0069324 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0
|
|
Loop time of 0.227014 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 6.0069324 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0
|
|
35061 495.28481 -3217.9192 0.03728079 2.3756005 0.28859913 543 544 6.0069324 0.14856964 0.00077008642 0 4.3557073 152132.21 0 0
|
|
Loop time of 0.0271087 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 6.0069324 0.14882857 0.00077142857 0 4.3557073 152132.21 0 0
|
|
36000 522.02047 -3197.5464 0.023049198 1.7073613 0.29300366 132 139 6.0069324 0.14975 0.00075 0 4.3557073 155779.35 0 0
|
|
Loop time of 0.230395 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 6.0069324 0.14975 0.00075 0 4.3557073 155779.35 0 0
|
|
36058 522.02047 -3217.9192 0.023049198 1.7073613 0.29300366 132 139 6.0069324 0.14950912 0.00074879361 0 4.3557073 155779.35 0 0
|
|
Loop time of 0.0274341 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 6.0069324 0.14975 0.00075 0 4.3557073 155779.35 0 0
|
|
37000 493.66881 -3198.2972 0.29065621 850.51576 0.19411822 110 121 6.0069324 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0
|
|
Loop time of 0.239665 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 6.0069324 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0
|
|
37055 493.66881 -3217.9192 0.29065621 850.51576 0.19411822 110 121 6.0069324 0.14761841 0.00072864661 0 4.3557073 159446.9 0 0
|
|
Loop time of 0.0258739 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 6.0069324 0.14783784 0.00072972973 0 4.3557073 159446.9 0 0
|
|
38000 471.56021 -3200.0689 0.21390468 143.23918 0.22692985 546 559 6.0069324 0.1505 0.00071052632 0 4.3557073 161793.64 0 0
|
|
Loop time of 0.231827 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 6.0069324 0.1505 0.00071052632 0 4.3557073 161793.64 0 0
|
|
38050 471.56021 -3217.9192 0.21390468 143.23918 0.22692985 546 559 6.0069324 0.15030223 0.00070959264 0 4.3557073 161793.64 0 0
|
|
Loop time of 0.0234141 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 6.0069324 0.1505 0.00071052632 0 4.3557073 161793.64 0 0
|
|
39000 488.60708 -3198.2279 0.29546108 950.85261 0.19187758 410 412 6.0069324 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0
|
|
Loop time of 0.227483 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 6.0069324 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0
|
|
39062 488.60708 -3217.9192 0.29546108 950.85261 0.19187758 410 412 6.0069324 0.1486099 0.00069120885 0 4.3557073 167145.63 0 0
|
|
Loop time of 0.028059 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 6.0069324 0.14884615 0.00069230769 0 4.3557073 167145.63 0 0
|
|
40000 507.73002 -3196.8491 0.012490865 1.3362947 0.29622904 543 544 6.0069324 0.15095 0.000675 0 4.3557073 171194.28 0 0
|
|
Loop time of 0.231293 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 6.0069324 0.15095 0.000675 0 4.3557073 171194.28 0 0
|
|
40064 507.73002 -3217.9192 0.012490865 1.3362947 0.29622904 543 544 6.0069324 0.15070887 0.00067392173 0 4.3557073 171194.28 0 0
|
|
Loop time of 0.0308156 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 6.0069324 0.15095 0.000675 0 4.3557073 171194.28 0 0
|
|
41000 479.11448 -3200.241 0 1 0.94094448 542 544 6.0069324 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0
|
|
Loop time of 0.239781 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 6.0069324 0.16480488 0.00065853659 0 5.4178316 171224.32 0 0
|
|
41055 479.11448 -3217.9192 0 1 0.94094448 542 544 6.0069324 0.16458409 0.00065765437 0 5.4178316 171224.32 0 0
|
|
Loop time of 0.0248787 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 6.0069324 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 6.0069324 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2
|
|
Loop time of 0.226913 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 6.0069324 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 6.0069324 0.16901274 0.0011175575 2.3326665 5.4178316 174484.67 1 2
|
|
Loop time of 0.0239749 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 6.0069324 0.1692381 0.0011190476 2.3326665 5.4178316 174484.67 1 2
|
|
43000 533.30453 -3198.6415 0 1 0.34377427 263 577 6.0069324 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2
|
|
Loop time of 0.224798 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 6.0069324 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2
|
|
43054 533.30453 -3217.9192 0 1 0.34377427 263 577 6.0069324 0.17624379 0.0010916523 2.3326665 5.4178316 175038.14 1 2
|
|
Loop time of 0.0243425 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 6.0069324 0.17646512 0.0010930233 2.3326665 5.4178316 175038.14 1 2
|
|
44000 497.19886 -3199.3252 0 1 0.32411085 262 264 6.0069324 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2
|
|
Loop time of 0.23413 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 6.0069324 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2
|
|
44056 497.19886 -3217.9192 0 1 0.32411085 262 264 6.0069324 0.17924914 0.001066824 2.3326665 5.4178316 175732.69 1 2
|
|
Loop time of 0.0264681 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 6.0069324 0.17947727 0.0010681818 2.3326665 5.4178316 175732.69 1 2
|
|
45000 501.66497 -3198.3133 0 1 0.89133337 262 264 6.0069324 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2
|
|
Loop time of 0.233324 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 6.0069324 0.18806667 0.0010444444 2.3326665 5.4178316 175885.32 1 2
|
|
45053 501.66497 -3217.9192 0 1 0.89133337 262 264 6.0069324 0.18784543 0.0010432158 2.3326665 5.4178316 175885.32 1 2
|
|
Loop time of 0.0239007 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 6.0069324 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 6.0069324 0.18545652 0.0010217391 2.332667 5.4178316 180703.66 2 4
|
|
Loop time of 0.227399 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 6.0069324 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 6.0069324 0.18522298 0.0010204525 2.332667 5.4178316 180703.66 2 4
|
|
Loop time of 0.025696 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 6.0069324 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 6.0069324 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4
|
|
Loop time of 0.232521 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 6.0069324 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 6.0069324 0.18380009 0.00099868259 2.332667 5.4178316 186245.92 2 4
|
|
Loop time of 0.0288792 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 6.0069324 0.18404255 0.001 2.332667 5.4178316 186245.92 2 4
|
|
48000 512.83356 -3200.0643 0 1 0.96810224 258 544 6.0069324 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4
|
|
Loop time of 0.241704 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 6.0069324 0.1921875 0.00097916667 2.332667 5.5485401 188226.87 2 4
|
|
48051 512.83356 -3217.9192 0 1 0.96810224 258 544 6.0069324 0.19198352 0.00097812741 2.332667 5.5485401 188226.87 2 4
|
|
Loop time of 0.0259903 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 6.0069324 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 6.0069324 0.18993878 0.00095918367 2.332667 5.5485401 191519.1 3 6
|
|
Loop time of 0.22826 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 6.0069324 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 6.0069324 0.18972969 0.00095812778 2.332667 5.5485401 191519.1 3 6
|
|
Loop time of 0.024157 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 6.0069324 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 6.0069324 0.1885 0.00094 2.332667 5.5485401 195910.67 3 6
|
|
Loop time of 0.226578 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 6.0069324 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 6.0069324 0.18827783 0.00093889211 2.332667 5.5485401 195910.67 3 6
|
|
Loop time of 0.0268276 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 6.0069324 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 6.0069324 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6
|
|
Loop time of 0.23022 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 6.0069324 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 6.0069324 0.18887474 0.00092057585 2.332667 5.5485401 199067.94 3 6
|
|
Loop time of 0.0267057 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 6.0069324 0.18907843 0.00092156863 2.332667 5.5485401 199067.94 3 6
|
|
52000 506.84322 -3198.7391 0 1 0.35895473 264 275 6.0069324 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6
|
|
Loop time of 0.248939 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 6.0069324 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6
|
|
52061 506.84322 -3217.9192 0 1 0.35895473 264 275 6.0069324 0.19346536 0.00090278712 2.332667 5.5485401 199119.85 3 6
|
|
Loop time of 0.0283017 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 6.0069324 0.19369231 0.00090384615 2.332667 5.5485401 199119.85 3 6
|
|
53000 477.74415 -3199.3706 0 1 0.31797782 264 275 6.0069324 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6
|
|
Loop time of 0.226147 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 6.0069324 0.1960566 0.00088679245 2.332667 5.5485401 200597.61 3 6
|
|
53056 477.74415 -3217.9192 0 1 0.31797782 264 275 6.0069324 0.19584967 0.00088585645 2.332667 5.5485401 200597.61 3 6
|
|
Loop time of 0.0249364 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 6.0069324 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 6.0069324 0.19614815 0.00087037037 2.332667 5.5485401 203111.2 3 6
|
|
Loop time of 0.242983 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 6.0069324 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 6.0069324 0.19596307 0.00086954913 2.332667 5.5485401 203111.2 3 6
|
|
Loop time of 0.0256515 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 6.0069324 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 6.0069324 0.1934 0.00085454545 2.332667 5.5485401 209967.08 3 6
|
|
Loop time of 0.243744 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 6.0069324 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 6.0069324 0.19319977 0.00085366075 2.332667 5.5485401 209967.08 3 6
|
|
Loop time of 0.0273646 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 6.0069324 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 6.0069324 0.19246429 0.00083928571 2.332667 5.5485401 215831.27 3 6
|
|
Loop time of 0.238614 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 6.0069324 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 6.0069324 0.19228573 0.0008385071 2.332667 5.5485401 215831.27 3 6
|
|
Loop time of 0.0241504 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 6.0069324 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 6.0069324 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6
|
|
Loop time of 0.30046 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 6.0069324 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 6.0069324 0.19190662 0.00082370879 2.332667 5.5485401 222695.11 3 6
|
|
Loop time of 0.0361512 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 6.0069324 0.19210526 0.0008245614 2.332667 5.5485401 222695.11 3 6
|
|
58000 493.40021 -3198.8621 0 1 0.30931038 275 577 6.0069324 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6
|
|
Loop time of 0.304723 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 6.0069324 0.18989655 0.00081034483 2.332667 5.5485401 225894.02 3 6
|
|
58055 493.40021 -3217.9192 0 1 0.30931038 275 577 6.0069324 0.18971665 0.00080957713 2.332667 5.5485401 225894.02 3 6
|
|
Loop time of 0.034838 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 6.0069324 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 6.0069324 0.189 0.00079661017 2.332667 5.5485401 232785.62 3 6
|
|
Loop time of 0.267864 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 6.0069324 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 6.0069324 0.18883357 0.00079590869 2.332667 5.5485401 232785.62 3 6
|
|
Loop time of 0.0229472 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 6.0069324 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 6.0069324 0.18678333 0.00078333333 2.332667 5.5485401 236949.88 3 6
|
|
Loop time of 0.224423 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 6.0069324 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 6.0069324 0.1866247 0.00078266807 2.332667 5.5485401 236949.88 3 6
|
|
Loop time of 0.0231369 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 6.0069324 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 6.0069324 0.18445902 0.0007704918 2.332667 5.5485401 245720.88 3 6
|
|
Loop time of 0.228656 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 6.0069324 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 6.0069324 0.18429889 0.00076982294 2.332667 5.5485401 245720.88 3 6
|
|
Loop time of 0.0245876 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 6.0069324 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 6.0069324 0.18312903 0.00075806452 2.332667 5.5485401 250136.37 3 6
|
|
Loop time of 0.232165 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 6.0069324 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 6.0069324 0.18296377 0.00075738043 2.332667 5.5485401 250136.37 3 6
|
|
Loop time of 0.0275648 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 6.0069324 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 6.0069324 0.18190476 0.00074603175 2.332667 5.5485401 257004.48 3 6
|
|
Loop time of 0.236446 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 6.0069324 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 6.0069324 0.18173457 0.00074533374 2.332667 5.5485401 257004.48 3 6
|
|
Loop time of 0.0258729 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 6.0069324 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 6.0069324 0.18060937 0.000734375 2.332667 5.5485401 261196.79 3 6
|
|
Loop time of 0.224694 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 6.0069324 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 6.0069324 0.18045993 0.00073376735 2.332667 5.5485401 261196.79 3 6
|
|
Loop time of 0.023932 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 6.0069324 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 6.0069324 0.17955385 0.00072307692 2.332667 5.5485401 267611.45 3 6
|
|
Loop time of 0.225038 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 6.0069324 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 6.0069324 0.17940756 0.00072248782 2.332667 5.5485401 267611.45 3 6
|
|
Loop time of 0.0248089 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 6.0069324 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 6.0069324 0.17804545 0.00071212121 2.332667 5.5485401 274383.49 3 6
|
|
Loop time of 0.233376 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 6.0069324 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 6.0069324 0.17788913 0.00071149596 2.332667 5.5485401 274383.49 3 6
|
|
Loop time of 0.0279601 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 6.0069324 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 6.0069324 0.17935821 0.00070149254 2.332667 5.5485401 274635.62 3 6
|
|
Loop time of 0.237521 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 6.0069324 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 6.0069324 0.1792111 0.00070091716 2.332667 5.5485401 274635.62 3 6
|
|
Loop time of 0.0262208 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 6.0069324 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 6.0069324 0.17882353 0.00069117647 2.332667 5.5485401 277575.99 3 6
|
|
Loop time of 0.224043 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 6.0069324 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 6.0069324 0.17866588 0.00069056715 2.332667 5.5485401 277575.99 3 6
|
|
Loop time of 0.0288572 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 6.0069324 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 6.0069324 0.18095652 0.00068115942 2.332667 5.5485401 279847.52 3 6
|
|
Loop time of 0.227692 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 6.0069324 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 6.0069324 0.18080978 0.00068060704 2.332667 5.5485401 279847.52 3 6
|
|
Loop time of 0.0247979 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 6.0069324 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 6.0069324 0.18142857 0.00072857143 2.332667 5.5485401 281504.52 3 6
|
|
Loop time of 0.232204 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 6.0069324 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 6.0069324 0.18128872 0.00072800982 2.332667 5.5485401 281504.52 3 6
|
|
Loop time of 0.0249009 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 6.0069324 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 6.0069324 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6
|
|
Loop time of 0.229025 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 6.0069324 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 6.0069324 0.18035717 0.00071771345 2.332667 5.5485401 286003.61 3 6
|
|
Loop time of 0.0265949 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 6.0069324 0.18050704 0.00071830986 2.332667 5.5485401 286003.61 3 6
|
|
72000 464.23294 -3197.7357 0 1 0.31542276 275 577 6.0069324 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6
|
|
Loop time of 0.228346 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 6.0069324 0.18266667 0.00070833333 2.332667 5.5485401 286734.83 3 6
|
|
72053 464.23294 -3217.9192 0 1 0.31542276 275 577 6.0069324 0.1825323 0.0007078123 2.332667 5.5485401 286734.83 3 6
|
|
Loop time of 0.026114 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 6.0069324 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 6.0069324 0.18394521 0.00069863014 2.332667 5.5485401 287872.93 3 6
|
|
Loop time of 0.229123 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 6.0069324 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 6.0069324 0.18380924 0.00069811372 2.332667 5.5485401 287872.93 3 6
|
|
Loop time of 0.0243089 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 6.0069324 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 6.0069324 0.18322973 0.00068918919 2.332667 5.5485401 294766.16 3 6
|
|
Loop time of 0.236133 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 6.0069324 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 6.0069324 0.18309365 0.00068867733 2.332667 5.5485401 294766.16 3 6
|
|
Loop time of 0.0264881 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 6.0069324 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 6.0069324 0.18212 0.00073333333 2.332667 5.5485401 302150.54 3 6
|
|
Loop time of 0.228974 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 6.0069324 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 6.0069324 0.18199139 0.00073281548 2.332667 5.5485401 302150.54 3 6
|
|
Loop time of 0.0246332 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 6.0069324 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 6.0069324 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6
|
|
Loop time of 0.223991 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 6.0069324 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 6.0069324 0.18272897 0.00072313235 2.332667 5.5485401 304160.3 3 6
|
|
Loop time of 0.0268497 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 6.0069324 0.18286842 0.00072368421 2.332667 5.5485401 304160.3 3 6
|
|
77000 511.16512 -3199.1926 0 1 0.31251901 264 275 6.0069324 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6
|
|
Loop time of 0.226324 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 6.0069324 0.18790909 0.00071428571 2.332667 5.5485401 304174.43 3 6
|
|
77059 511.16512 -3217.9192 0 1 0.31251901 264 275 6.0069324 0.18776522 0.00071373882 2.332667 5.5485401 304174.43 3 6
|
|
Loop time of 0.026314 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 6.0069324 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 6.0069324 0.19037179 0.00094871795 2.332667 5.5485401 304438.98 3 6
|
|
Loop time of 0.234504 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 6.0069324 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 6.0069324 0.19022059 0.00094796444 2.332667 5.5485401 304438.98 3 6
|
|
Loop time of 0.0297351 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 6.0069324 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 6.0069324 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6
|
|
Loop time of 0.228044 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 6.0069324 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 6.0069324 0.1900401 0.00093603349 2.332667 5.5485401 306076.23 3 6
|
|
Loop time of 0.026444 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 6.0069324 0.19017722 0.00093670886 2.332667 5.5485401 306076.23 3 6
|
|
80000 479.09781 -3197.6134 0 1 0.30854872 263 577 6.0069324 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6
|
|
Loop time of 0.224854 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 6.0069324 0.1902125 0.000925 2.332667 5.5485401 308522.09 3 6
|
|
80059 479.09781 -3217.9192 0 1 0.30854872 263 577 6.0069324 0.19007232 0.00092431832 2.332667 5.5485401 308522.09 3 6
|
|
Loop time of 0.0272751 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 6.0069324 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 6.0069324 0.18996296 0.00091358025 2.332667 5.5485401 311171.12 3 6
|
|
Loop time of 0.226269 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 6.0069324 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 6.0069324 0.18983172 0.00091294907 2.332667 5.5485401 311171.12 3 6
|
|
Loop time of 0.0258186 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 6.0069324 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 6.0069324 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6
|
|
Loop time of 0.235559 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 6.0069324 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 6.0069324 0.18849552 0.0010358906 2.332667 5.5485401 315319.38 3 6
|
|
Loop time of 0.0261242 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 6.0069324 0.18862195 0.0010365854 2.332667 5.5485401 315319.38 3 6
|
|
83000 537.67639 -3197.6886 0 1 0.32414276 263 264 6.0069324 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6
|
|
Loop time of 0.227873 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 6.0069324 0.1896988 0.0010240964 2.332667 5.5485401 316613.84 3 6
|
|
83064 537.67639 -3217.9192 0 1 0.32414276 263 264 6.0069324 0.18955263 0.0010233073 2.332667 5.5485401 316613.84 3 6
|
|
Loop time of 0.0301323 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 6.0069324 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 6.0069324 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6
|
|
Loop time of 0.228573 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 6.0069324 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 6.0069324 0.18988245 0.0010112787 2.332667 5.5485401 318598.08 3 6
|
|
Loop time of 0.0254717 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 6.0069324 0.19 0.0010119048 2.332667 5.5485401 318598.08 3 6
|
|
85000 472.16876 -3197.5248 0 1 0.34247044 264 275 6.0069324 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6
|
|
Loop time of 0.231174 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 6.0069324 0.18970588 0.001 2.332667 5.5485401 323882.61 3 6
|
|
85055 472.16876 -3217.9192 0 1 0.34247044 264 275 6.0069324 0.18958321 0.00099935336 2.332667 5.5485401 323882.61 3 6
|
|
Loop time of 0.0253472 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 6.0069324 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 6.0069324 0.19110465 0.00098837209 2.332667 5.5485401 325788.44 3 6
|
|
Loop time of 0.241364 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 6.0069324 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 6.0069324 0.19098695 0.00098776336 2.332667 5.5485401 325788.44 3 6
|
|
Loop time of 0.0262635 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 6.0069324 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 6.0069324 0.1897931 0.00097701149 2.332667 5.5485401 330047.59 3 6
|
|
Loop time of 0.230381 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 6.0069324 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 6.0069324 0.18966666 0.00097636059 2.332667 5.5485401 330047.59 3 6
|
|
Loop time of 0.0275965 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 6.0069324 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 6.0069324 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6
|
|
Loop time of 0.229339 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 6.0069324 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 6.0069324 0.18816581 0.00096536059 2.332667 5.5485401 337304.34 3 6
|
|
Loop time of 0.0253522 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 6.0069324 0.18827273 0.00096590909 2.332667 5.5485401 337304.34 3 6
|
|
89000 520.37063 -3197.8234 0 1 0.92013924 262 275 6.0069324 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6
|
|
Loop time of 0.234048 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 6.0069324 0.19148315 0.0011123596 2.332667 5.5485401 339909.57 3 6
|
|
89052 520.37063 -3217.9192 0 1 0.92013924 262 275 6.0069324 0.19137133 0.00111171 2.332667 5.5485401 339909.57 3 6
|
|
Loop time of 0.0242915 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 6.0069324 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 6.0069324 0.1905 0.0011 2.332667 5.5485401 345606.41 4 8
|
|
Loop time of 0.239736 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 6.0069324 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 6.0069324 0.19037731 0.0010992916 2.332667 5.5485401 345606.41 4 8
|
|
Loop time of 0.027481 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 6.0069324 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 6.0069324 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8
|
|
Loop time of 0.23396 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 6.0069324 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 6.0069324 0.18972883 0.0010873027 2.332667 5.5485401 350825.27 4 8
|
|
Loop time of 0.0249534 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 6.0069324 0.18983516 0.0010879121 2.332667 5.5485401 350825.27 4 8
|
|
92000 478.3025 -3197.9483 0 1 0.30393958 544 556 6.0069324 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8
|
|
Loop time of 0.233376 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 6.0069324 0.19196739 0.001076087 2.332667 5.5485401 352816.62 4 8
|
|
92060 478.3025 -3217.9192 0 1 0.30393958 544 556 6.0069324 0.19184228 0.0010753856 2.332667 5.5485401 352816.62 4 8
|
|
Loop time of 0.0286014 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 6.0069324 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 6.0069324 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8
|
|
Loop time of 0.234626 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 6.0069324 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 6.0069324 0.19408743 0.0010638755 2.332667 5.5485401 354391.05 4 8
|
|
Loop time of 0.0261769 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 6.0069324 0.1942043 0.0010645161 2.332667 5.5485401 354391.05 4 8
|
|
94000 499.72991 -3199.3195 0 1 0.30394408 544 556 6.0069324 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8
|
|
Loop time of 0.229448 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 6.0069324 0.19443617 0.0010531915 2.332667 5.5485401 360147.54 4 8
|
|
94061 499.72991 -3217.9192 0 1 0.30394408 544 556 6.0069324 0.19431008 0.0010525085 2.332667 5.5485401 360147.54 4 8
|
|
Loop time of 0.0281783 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 6.0069324 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 6.0069324 0.19681053 0.0010421053 2.332667 5.5485401 360599.28 4 8
|
|
Loop time of 0.224206 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 6.0069324 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 6.0069324 0.1966863 0.0010414475 2.332667 5.5485401 360599.28 4 8
|
|
Loop time of 0.027992 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 6.0069324 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 6.0069324 0.19620833 0.00103125 2.332667 5.5485401 365489.89 4 8
|
|
Loop time of 0.228167 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 6.0069324 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 6.0069324 0.19610007 0.001030681 2.332667 5.5485401 365489.89 4 8
|
|
Loop time of 0.024569 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 6.0069324 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 6.0069324 0.19491753 0.0010206186 2.332667 5.5485401 372336.45 4 8
|
|
Loop time of 0.23889 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 6.0069324 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 6.0069324 0.19481309 0.0010200717 2.332667 5.5485401 372336.45 4 8
|
|
Loop time of 0.0262206 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 6.0069324 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 6.0069324 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8
|
|
Loop time of 0.239305 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 6.0069324 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 6.0069324 0.1956371 0.0010096477 2.332667 5.5485401 377711.41 4 8
|
|
Loop time of 0.0272166 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 6.0069324 0.1957449 0.0010102041 2.332667 5.5485401 377711.41 4 8
|
|
99000 504.19627 -3196.6567 0 1 0.33814873 287 276 6.0069324 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8
|
|
Loop time of 0.235176 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 6.0069324 0.19517172 0.001 2.332667 5.5485401 381676.19 4 8
|
|
99053 504.19627 -3217.9192 0 1 0.33814873 287 276 6.0069324 0.19506729 0.00099946493 2.332667 5.5485401 381676.19 4 8
|
|
Loop time of 0.0249114 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 6.0069324 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 6.0069324 0.19442 0.00099 2.332667 5.5485401 385211.4 4 8
|
|
Loop time of 0.226452 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 6.0069324 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 6.0069324 0.19430342 0.00098940636 2.332667 5.5485401 385211.4 4 8
|
|
Loop time of 0.0303354 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 = 6.00693
|
|
|
|
Loop time of 26.6054 on 4 procs for 100000 steps with 577 atoms
|
|
|
|
Performance: 1623.732 ns/day, 0.015 hours/ns, 3758.639 timesteps/s
|
|
100.6% CPU use with 4 MPI tasks x no OpenMP threads
|
|
|
|
Hyper stats:
|
|
Dynamics time (%) = 23.5897 (88.665)
|
|
Quench time (%) = 2.6357 (9.90664)
|
|
Other time (%) = 0.875172 (3.28945)
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 18.942 | 19.435 | 20.026 | 10.1 | 73.05
|
|
Neigh | 1.3021 | 1.3833 | 1.4611 | 6.2 | 5.20
|
|
Comm | 2.1376 | 2.1725 | 2.2239 | 2.2 | 8.17
|
|
Output | 0.0033467 | 0.0034443 | 0.0037186 | 0.3 | 0.01
|
|
Modify | 2.0693 | 2.7356 | 3.2627 | 30.2 | 10.28
|
|
Other | | 0.8752 | | | 3.29
|
|
|
|
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: 0:00:27
|