1244 lines
118 KiB
Groff
1244 lines
118 KiB
Groff
LAMMPS (10 Oct 2018)
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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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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 = 0.000782013 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 = 4.69685e-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 858872873 zero yes
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fix 2 mobile langevin 500.0 ${Tequil} 1.0 858872873 zero yes
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fix 2 mobile langevin 500.0 500.0 1.0 858872873 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:488)
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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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100 211.06271 -3209.3285 0 -3201.4713 -27323.825
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200 320.80707 -3205.3715 0 -3193.4289 -39370.402
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300 393.66139 -3202.607 0 -3187.9522 -32163.403
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400 401.11987 -3200.2795 0 -3185.347 -35961.543
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500 472.27798 -3200.7267 0 -3183.1452 -33044.974
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600 485.16253 -3199.818 0 -3181.7569 -34242.615
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700 464.85129 -3199.865 0 -3182.56 -35327.179
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800 518.91236 -3199.4098 0 -3180.0923 -32088.2
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900 502.76061 -3199.3972 0 -3180.681 -36944.263
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1000 522.64479 -3200.0627 0 -3180.6063 -32801.856
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Loop time of 0.333434 on 4 procs for 1000 steps with 577 atoms
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Performance: 1295.607 ns/day, 0.019 hours/ns, 2999.091 timesteps/s
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99.5% 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 | 0.25639 | 0.2636 | 0.2708 | 1.0 | 79.06
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Neigh | 0.017381 | 0.017991 | 0.018988 | 0.4 | 5.40
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Comm | 0.026086 | 0.034315 | 0.042505 | 3.2 | 10.29
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Output | 0.00022078 | 0.00023323 | 0.00026107 | 0.0 | 0.07
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Modify | 0.013295 | 0.013709 | 0.014107 | 0.2 | 4.11
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Other | | 0.003584 | | | 1.07
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Nlocal: 144.25 ave 149 max 139 min
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Histogram: 1 0 0 1 0 0 0 0 1 1
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Nghost: 530.5 ave 536 max 526 min
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Histogram: 1 1 0 0 0 0 0 1 0 1
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Neighs: 3471.75 ave 3626 max 3292 min
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Histogram: 1 0 0 0 1 0 1 0 0 1
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Total # of neighbors = 13887
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Ave neighs/atom = 24.0676
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Neighbor list builds = 88
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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:488)
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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 1.0e-6 1.0e-6 100 100 dump 1
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hyper 100000 ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
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hyper 100000 1000 HG event min 1.0e-6 1.0e-6 100 100 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]
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0 522.64479 -3200.0627 0 0 0 0 0 0 0 0 0 0 0 0
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13 522.64479 -3217.9151 0 0 0 0 0 0 0 0 0 0 0 0
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Loop time of 0.0106812 on 4 procs for 13 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]
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0 522.64479 -3200.0627 0.39402008 9365.7631 0.13811729 429 426 6.0069324 0 0.36151295 3.1652084 0 0 0
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1000 512.35059 -3198.5556 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.137 0.77425934 3.8913771 5302.7599 0 0
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Loop time of 0.314234 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]
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1000 512.35059 -3198.5556 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.137 0.77425934 3.8913771 5302.7599 0 0
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1014 512.35059 -3217.9161 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.13510848 0.77425934 3.8913771 5302.7599 0 0
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Loop time of 0.0071606 on 4 procs for 14 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]
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1000 512.35059 -3198.5556 0.32845525 2044.9347 0.17572153 257 259 6.0069324 0.137 0.77425934 3.8913771 5302.7599 0 0
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2000 502.60215 -3197.7892 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.103 0.77425934 3.8913771 11603.458 0 0
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Loop time of 0.33185 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]
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2000 502.60215 -3197.7892 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.103 0.77425934 3.8913771 11603.458 0 0
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2015 502.60215 -3217.9155 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.10223325 0.77425934 3.8913771 11603.458 0 0
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Loop time of 0.00889879 on 4 procs for 15 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]
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2000 502.60215 -3197.7892 0.01351505 1.3684394 0.29591771 116 127 6.0069324 0.103 0.77425934 3.8913771 11603.458 0 0
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3000 481.01481 -3199.1324 0 1 1.0289113 542 544 6.0069324 0.212 2.8308749 5.5814852 12488.613 0 0
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Loop time of 0.334598 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]
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3000 481.01481 -3199.1324 0 1 1.0289113 542 544 6.0069324 0.212 2.8308749 5.5814852 12488.613 0 0
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3014 481.01481 -3217.916 0 1 1.0289113 542 544 6.0069324 0.21101526 2.8308749 5.5814852 12488.613 0 0
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Loop time of 0.0103227 on 4 procs for 14 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]
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3000 481.01481 -3199.1324 0.25134819 341.56656 0.21155927 277 539 6.0069324 0.212 2.8308749 5.5814852 12488.613 1 2
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4000 474.51721 -3197.9082 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18325 2.8308749 5.5814852 22776.39 1 2
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Loop time of 0.302547 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]
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4000 474.51721 -3197.9082 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18325 2.8308749 5.5814852 22776.39 1 2
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4014 474.51721 -3217.9172 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18261086 2.8308749 5.5814852 22776.39 1 2
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Loop time of 0.00868511 on 4 procs for 14 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]
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4000 474.51721 -3197.9082 0.26384891 456.53799 0.20617274 361 83 6.0069324 0.18325 2.8308749 5.5814852 22776.39 1 2
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5000 478.08772 -3199.6792 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.1586 2.8308749 5.5814852 35085.309 1 2
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Loop time of 0.300419 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]
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5000 478.08772 -3199.6792 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.1586 2.8308749 5.5814852 35085.309 1 2
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5015 478.08772 -3217.9131 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.15812562 2.8308749 5.5814852 35085.309 1 2
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Loop time of 0.00705171 on 4 procs for 15 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]
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5000 478.08772 -3199.6792 0.043886568 2.7692147 0.2865317 275 577 6.0069324 0.1586 2.8308749 5.5814852 35085.309 1 2
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6000 458.77612 -3197.8588 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.171 2.8308749 5.5814852 38747.284 1 2
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Loop time of 0.287999 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]
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6000 458.77612 -3197.8588 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.171 2.8308749 5.5814852 38747.284 1 2
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6015 458.77612 -3217.9165 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.17057357 2.8308749 5.5814852 38747.284 1 2
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Loop time of 0.00888014 on 4 procs for 15 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]
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6000 458.77612 -3197.8588 0.27710376 620.98321 0.20030308 511 546 6.0069324 0.171 2.8308749 5.5814852 38747.284 1 2
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7000 476.88452 -3198.3269 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17714286 2.8308749 5.5814852 45612.389 1 2
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Loop time of 0.29168 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]
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7000 476.88452 -3198.3269 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17714286 2.8308749 5.5814852 45612.389 1 2
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7015 476.88452 -3217.9146 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17676408 2.8308749 5.5814852 45612.389 1 2
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Loop time of 0.00871038 on 4 procs for 15 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]
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7000 476.88452 -3198.3269 0.0828164 6.8352063 0.27403111 264 275 6.0069324 0.17714286 2.8308749 5.5814852 45612.389 1 2
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8000 521.60584 -3199.0138 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.191875 2.8308749 5.5814852 46748.053 1 2
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Loop time of 0.284021 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]
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8000 521.60584 -3199.0138 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.191875 2.8308749 5.5814852 46748.053 1 2
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8015 521.60584 -3217.9163 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.19151591 2.8308749 5.5814852 46748.053 1 2
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Loop time of 0.00697637 on 4 procs for 15 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]
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8000 521.60584 -3199.0138 0.22715857 194.82964 0.22161105 419 124 6.0069324 0.191875 2.8308749 5.5814852 46748.053 1 2
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9000 496.87475 -3198.4928 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18388889 2.8308749 5.5814852 49596.596 1 2
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Loop time of 0.238759 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]
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9000 496.87475 -3198.4928 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18388889 2.8308749 5.5814852 49596.596 1 2
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9014 496.87475 -3217.9149 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18360328 2.8308749 5.5814852 49596.596 1 2
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Loop time of 0.00677681 on 4 procs for 14 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]
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9000 496.87475 -3198.4928 0.13677449 23.912479 0.25569629 264 275 6.0069324 0.18388889 2.8308749 5.5814852 49596.596 1 2
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10000 478.6826 -3199.6673 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.1982 2.8308749 5.5814852 54170.476 1 2
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Loop time of 0.23881 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]
|
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10000 478.6826 -3199.6673 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.1982 2.8308749 5.5814852 54170.476 1 2
|
|
10013 478.6826 -3217.9144 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.19794267 2.8308749 5.5814852 54170.476 1 2
|
|
Loop time of 0.00627023 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
10000 478.6826 -3199.6673 0.37406677 5894.1727 0.1505589 127 132 6.0069324 0.1982 2.8308749 5.5814852 54170.476 1 2
|
|
11000 518.40222 -3199.3332 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18809091 2.8308749 5.5814852 58304.709 1 2
|
|
Loop time of 0.238288 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]
|
|
11000 518.40222 -3199.3332 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18809091 2.8308749 5.5814852 58304.709 1 2
|
|
11013 518.40222 -3217.915 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18786888 2.8308749 5.5814852 58304.709 1 2
|
|
Loop time of 0.00599569 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
11000 518.40222 -3199.3332 0.34753231 3183.9595 0.16566286 383 418 6.0069324 0.18809091 2.8308749 5.5814852 58304.709 1 2
|
|
12000 552.07348 -3197.6675 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.18016667 2.8308749 5.5814852 66990.451 1 2
|
|
Loop time of 0.23842 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]
|
|
12000 552.07348 -3197.6675 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.18016667 2.8308749 5.5814852 66990.451 1 2
|
|
12013 552.07348 -3217.9165 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.1799717 2.8308749 5.5814852 66990.451 1 2
|
|
Loop time of 0.00602174 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
12000 552.07348 -3197.6675 0.0063435549 1.1586177 0.29809086 144 143 6.0069324 0.18016667 2.8308749 5.5814852 66990.451 1 2
|
|
13000 471.13412 -3198.1314 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17338462 2.8308749 5.5814852 74345.114 1 2
|
|
Loop time of 0.237671 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]
|
|
13000 471.13412 -3198.1314 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17338462 2.8308749 5.5814852 74345.114 1 2
|
|
13014 471.13412 -3217.9158 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17319809 2.8308749 5.5814852 74345.114 1 2
|
|
Loop time of 0.00647223 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
13000 471.13412 -3198.1314 0.30918747 1307.5821 0.18532743 116 123 6.0069324 0.17338462 2.8308749 5.5814852 74345.114 1 2
|
|
14000 470.81692 -3198.8871 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18235714 2.8308749 5.5814852 76252.748 1 2
|
|
Loop time of 0.238789 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]
|
|
14000 470.81692 -3198.8871 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18235714 2.8308749 5.5814852 76252.748 1 2
|
|
14015 470.81692 -3217.9147 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18216197 2.8308749 5.5814852 76252.748 1 2
|
|
Loop time of 0.00651169 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
14000 470.81692 -3198.8871 0.10763953 12.160669 0.26575343 275 577 6.0069324 0.18235714 2.8308749 5.5814852 76252.748 1 2
|
|
15000 473.2435 -3199.0907 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18553333 2.8308749 5.5814852 81659.641 1 2
|
|
Loop time of 0.23755 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]
|
|
15000 473.2435 -3199.0907 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18553333 2.8308749 5.5814852 81659.641 1 2
|
|
15014 473.2435 -3217.9161 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18536033 2.8308749 5.5814852 81659.641 1 2
|
|
Loop time of 0.00644851 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
15000 473.2435 -3199.0907 0.20712247 122.37713 0.22960391 569 570 6.0069324 0.18553333 2.8308749 5.5814852 81659.641 1 2
|
|
16000 504.33627 -3199.1713 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.199875 2.8308749 5.5814852 82224.366 1 2
|
|
Loop time of 0.240195 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]
|
|
16000 504.33627 -3199.1713 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.199875 2.8308749 5.5814852 82224.366 1 2
|
|
16015 504.33627 -3217.9137 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.19968779 2.8308749 5.5814852 82224.366 1 2
|
|
Loop time of 0.00684911 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
16000 504.33627 -3199.1713 0.036898146 2.3545967 0.28871843 264 275 6.0069324 0.199875 2.8308749 5.5814852 82224.366 1 2
|
|
17000 497.60607 -3198.212 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.217 2.8308749 5.5814852 82242.51 1 2
|
|
Loop time of 0.240567 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]
|
|
17000 497.60607 -3198.212 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.217 2.8308749 5.5814852 82242.51 1 2
|
|
17016 497.60607 -3217.9161 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.21679596 2.8308749 5.5814852 82242.51 1 2
|
|
Loop time of 0.00708336 on 4 procs for 16 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
17000 497.60607 -3198.212 0.0067178767 1.1687272 0.29797782 264 275 6.0069324 0.217 2.8308749 5.5814852 82242.51 1 2
|
|
18000 523.92168 -3199.831 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22444444 2.8308749 5.5814852 82304.143 1 2
|
|
Loop time of 0.240636 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]
|
|
18000 523.92168 -3199.831 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22444444 2.8308749 5.5814852 82304.143 1 2
|
|
18014 523.92168 -3217.9153 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22427001 2.8308749 5.5814852 82304.143 1 2
|
|
Loop time of 0.00646216 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
18000 523.92168 -3199.831 0.21046671 132.25396 0.22828927 264 275 6.0069324 0.22444444 2.8308749 5.5814852 82304.143 1 2
|
|
19000 538.76557 -3198.7203 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.228 2.8308749 5.5814852 83487.232 1 2
|
|
Loop time of 0.239259 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]
|
|
19000 538.76557 -3198.7203 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.228 2.8308749 5.5814852 83487.232 1 2
|
|
19014 538.76557 -3217.9141 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.22783212 2.8308749 5.5814852 83487.232 1 2
|
|
Loop time of 0.0061307 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
19000 538.76557 -3198.7203 0.036295998 2.3219194 0.28890608 397 400 6.0069324 0.228 2.8308749 5.5814852 83487.232 1 2
|
|
20000 483.9598 -3198.1166 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.2187 2.8308749 5.5814852 91177.618 1 2
|
|
Loop time of 0.241751 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]
|
|
20000 483.9598 -3198.1166 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.2187 2.8308749 5.5814852 91177.618 1 2
|
|
20014 483.9598 -3217.9137 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.21854702 2.8308749 5.5814852 91177.618 1 2
|
|
Loop time of 0.00646776 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
20000 483.9598 -3198.1166 0.13750177 24.319538 0.25544017 400 131 6.0069324 0.2187 2.8308749 5.5814852 91177.618 1 2
|
|
21000 518.44073 -3199.7932 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21271429 2.8308749 5.5814852 99740.17 1 2
|
|
Loop time of 0.239403 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]
|
|
21000 518.44073 -3199.7932 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21271429 2.8308749 5.5814852 99740.17 1 2
|
|
21014 518.44073 -3217.9126 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21257257 2.8308749 5.5814852 99740.17 1 2
|
|
Loop time of 0.00643963 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
21000 518.44073 -3199.7932 0.30241436 1117.3756 0.18858795 553 577 6.0069324 0.21271429 2.8308749 5.5814852 99740.17 1 2
|
|
22000 518.95823 -3198.6693 0 1 0.4887755 262 263 6.0069324 0.22327273 2.8308749 5.5814852 103304.87 1 2
|
|
Loop time of 0.241227 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]
|
|
22000 518.95823 -3198.6693 0 1 0.4887755 262 263 6.0069324 0.22327273 2.8308749 5.5814852 103304.87 1 2
|
|
22033 518.95823 -3217.916 0 1 0.4887755 262 263 6.0069324 0.22293832 2.8308749 5.5814852 103304.87 1 2
|
|
Loop time of 0.015579 on 4 procs for 33 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
22000 518.95823 -3198.6693 0 1 0.4887755 262 263 6.0069324 0.22327273 2.8308749 5.5814852 103304.87 1 2
|
|
23000 534.01428 -3197.6551 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22469565 2.8308749 5.5814852 108159.84 1 2
|
|
Loop time of 0.240257 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]
|
|
23000 534.01428 -3197.6551 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22469565 2.8308749 5.5814852 108159.84 1 2
|
|
23015 534.01428 -3217.9147 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22454921 2.8308749 5.5814852 108159.84 1 2
|
|
Loop time of 0.0067718 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
23000 534.01428 -3197.6551 0.10264812 10.830446 0.26743848 136 431 6.0069324 0.22469565 2.8308749 5.5814852 108159.84 1 2
|
|
24000 502.61915 -3198.9796 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21883333 2.8308749 5.5814852 115124.63 1 2
|
|
Loop time of 0.241014 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]
|
|
24000 502.61915 -3198.9796 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21883333 2.8308749 5.5814852 115124.63 1 2
|
|
24014 502.61915 -3217.9149 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21870575 2.8308749 5.5814852 115124.63 1 2
|
|
Loop time of 0.006706 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
24000 502.61915 -3198.9796 0.22019457 165.75289 0.22442143 132 143 6.0069324 0.21883333 2.8308749 5.5814852 115124.63 1 2
|
|
25000 510.27664 -3200.7431 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.21512 2.8308749 5.5814852 118042.99 1 2
|
|
Loop time of 0.239452 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]
|
|
25000 510.27664 -3200.7431 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.21512 2.8308749 5.5814852 118042.99 1 2
|
|
25013 510.27664 -3217.9127 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.2150082 2.8308749 5.5814852 118042.99 1 2
|
|
Loop time of 0.00622821 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
25000 510.27664 -3200.7431 0.34609419 3079.4414 0.16644232 120 119 6.0069324 0.21512 2.8308749 5.5814852 118042.99 1 2
|
|
26000 511.79717 -3198.2999 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21273077 2.8308749 5.5814852 124902.88 1 2
|
|
Loop time of 0.271219 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]
|
|
26000 511.79717 -3198.2999 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21273077 2.8308749 5.5814852 124902.88 1 2
|
|
26015 511.79717 -3217.9147 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21260811 2.8308749 5.5814852 124902.88 1 2
|
|
Loop time of 0.0105773 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
26000 511.79717 -3198.2999 0.19492582 92.206933 0.23433598 263 577 6.0069324 0.21273077 2.8308749 5.5814852 124902.88 1 2
|
|
27000 487.73368 -3197.4904 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20814815 2.8308749 5.5814852 130713.79 1 2
|
|
Loop time of 0.293879 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]
|
|
27000 487.73368 -3197.4904 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20814815 2.8308749 5.5814852 130713.79 1 2
|
|
27015 487.73368 -3217.9161 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20803257 2.8308749 5.5814852 130713.79 1 2
|
|
Loop time of 0.00895333 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
27000 487.73368 -3197.4904 0.19560731 93.67693 0.2340741 401 572 6.0069324 0.20814815 2.8308749 5.5814852 130713.79 1 2
|
|
28000 468.95408 -3198.4177 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.204 2.8308749 5.5814852 135376.2 1 2
|
|
Loop time of 0.286141 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]
|
|
28000 468.95408 -3198.4177 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.204 2.8308749 5.5814852 135376.2 1 2
|
|
28014 468.95408 -3217.9167 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.20389805 2.8308749 5.5814852 135376.2 1 2
|
|
Loop time of 0.00648469 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
28000 468.95408 -3198.4177 0.3457758 3056.7694 0.1666144 549 515 6.0069324 0.204 2.8308749 5.5814852 135376.2 1 2
|
|
29000 518.03534 -3198.1622 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20031034 2.8308749 5.5814852 143604.35 1 2
|
|
Loop time of 0.24066 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]
|
|
29000 518.03534 -3198.1622 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20031034 2.8308749 5.5814852 143604.35 1 2
|
|
29014 518.03534 -3217.9137 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20021369 2.8308749 5.5814852 143604.35 1 2
|
|
Loop time of 0.0063417 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
29000 518.03534 -3198.1622 0.029706116 1.9926184 0.29095171 267 260 6.0069324 0.20031034 2.8308749 5.5814852 143604.35 1 2
|
|
30000 535.78782 -3198.3125 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19596667 2.8308749 5.5814852 150106.09 1 2
|
|
Loop time of 0.259515 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]
|
|
30000 535.78782 -3198.3125 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19596667 2.8308749 5.5814852 150106.09 1 2
|
|
30014 535.78782 -3217.9119 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19587526 2.8308749 5.5814852 150106.09 1 2
|
|
Loop time of 0.0123347 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
30000 535.78782 -3198.3125 0.33831746 2570.9054 0.17059559 122 124 6.0069324 0.19596667 2.8308749 5.5814852 150106.09 1 2
|
|
31000 547.06872 -3198.3217 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19987097 2.8308749 5.5814852 151076.53 1 2
|
|
Loop time of 0.321976 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]
|
|
31000 547.06872 -3198.3217 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19987097 2.8308749 5.5814852 151076.53 1 2
|
|
31014 547.06872 -3217.9165 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19978074 2.8308749 5.5814852 151076.53 1 2
|
|
Loop time of 0.00811768 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
31000 547.06872 -3198.3217 0.21707776 154.18603 0.22566791 275 577 6.0069324 0.19987097 2.8308749 5.5814852 151076.53 1 2
|
|
32000 469.53603 -3199.325 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20171875 2.8308749 5.5814852 152526.06 1 2
|
|
Loop time of 0.290834 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]
|
|
32000 469.53603 -3199.325 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20171875 2.8308749 5.5814852 152526.06 1 2
|
|
32013 469.53603 -3217.9147 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20163684 2.8308749 5.5814852 152526.06 1 2
|
|
Loop time of 0.00746775 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
32000 469.53603 -3199.325 0.35776457 4037.4217 0.16000743 563 268 6.0069324 0.20171875 2.8308749 5.5814852 152526.06 1 2
|
|
33000 491.33889 -3199.1986 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19833333 2.8308749 5.5814852 156385.66 1 2
|
|
Loop time of 0.243351 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]
|
|
33000 491.33889 -3199.1986 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19833333 2.8308749 5.5814852 156385.66 1 2
|
|
33014 491.33889 -3217.9155 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19824923 2.8308749 5.5814852 156385.66 1 2
|
|
Loop time of 0.00658584 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
33000 491.33889 -3199.1986 0.32620326 1940.7983 0.17687118 258 228 6.0069324 0.19833333 2.8308749 5.5814852 156385.66 1 2
|
|
34000 503.19322 -3198.8767 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19794118 2.8308749 5.5814852 161964.99 1 2
|
|
Loop time of 0.238415 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]
|
|
34000 503.19322 -3198.8767 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19794118 2.8308749 5.5814852 161964.99 1 2
|
|
34016 503.19322 -3217.9158 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19784807 2.8308749 5.5814852 161964.99 1 2
|
|
Loop time of 0.00771642 on 4 procs for 16 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
34000 503.19322 -3198.8767 0.050333006 3.2161315 0.28449966 275 577 6.0069324 0.19794118 2.8308749 5.5814852 161964.99 1 2
|
|
35000 513.68037 -3197.8169 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.199 2.8308749 5.5814852 164995.25 1 2
|
|
Loop time of 0.240164 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]
|
|
35000 513.68037 -3197.8169 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.199 2.8308749 5.5814852 164995.25 1 2
|
|
35015 513.68037 -3217.9147 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.19891475 2.8308749 5.5814852 164995.25 1 2
|
|
Loop time of 0.00711012 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
35000 513.68037 -3197.8169 0.26004762 417.98593 0.20782548 264 275 6.0069324 0.199 2.8308749 5.5814852 164995.25 1 2
|
|
36000 508.23462 -3199.0337 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20069444 2.8308749 5.5814852 167465.14 1 2
|
|
Loop time of 0.240289 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]
|
|
36000 508.23462 -3199.0337 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20069444 2.8308749 5.5814852 167465.14 1 2
|
|
36014 508.23462 -3217.9163 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20061643 2.8308749 5.5814852 167465.14 1 2
|
|
Loop time of 0.00642586 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
36000 508.23462 -3199.0337 0.009260286 1.2397653 0.29720893 563 564 6.0069324 0.20069444 2.8308749 5.5814852 167465.14 1 2
|
|
37000 500.95069 -3199.7129 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19783784 2.8308749 5.5814852 169290.01 1 2
|
|
Loop time of 0.239462 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]
|
|
37000 500.95069 -3199.7129 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19783784 2.8308749 5.5814852 169290.01 1 2
|
|
37015 500.95069 -3217.916 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19775767 2.8308749 5.5814852 169290.01 1 2
|
|
Loop time of 0.00713468 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
37000 500.95069 -3199.7129 0.024475083 1.764809 0.29256535 275 577 6.0069324 0.19783784 2.8308749 5.5814852 169290.01 1 2
|
|
38000 495.41803 -3199.6385 0 1 1.0152866 262 275 6.0069324 0.21794737 2.8308749 5.5814852 169297.9 1 2
|
|
Loop time of 0.239667 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]
|
|
38000 495.41803 -3199.6385 0 1 1.0152866 262 275 6.0069324 0.21794737 2.8308749 5.5814852 169297.9 1 2
|
|
38013 495.41803 -3217.9157 0 1 1.0152866 262 275 6.0069324 0.21787283 2.8308749 5.5814852 169297.9 1 2
|
|
Loop time of 0.00627661 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
38000 495.41803 -3199.6385 0.39298625 9143.7129 0.13878932 430 431 6.0069324 0.21794737 2.8308749 5.5814852 169297.9 2 4
|
|
39000 469.05202 -3196.0515 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21410256 2.8308749 5.5814852 175842.05 2 4
|
|
Loop time of 0.238329 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]
|
|
39000 469.05202 -3196.0515 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21410256 2.8308749 5.5814852 175842.05 2 4
|
|
39015 469.05202 -3217.917 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21402025 2.8308749 5.5814852 175842.05 2 4
|
|
Loop time of 0.00683451 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
39000 469.05202 -3196.0515 0.10638057 11.810485 0.26617945 408 415 6.0069324 0.21410256 2.8308749 5.5814852 175842.05 2 4
|
|
40000 542.78328 -3198.4918 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.214275 2.8308749 5.5814852 179412.45 2 4
|
|
Loop time of 0.23954 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]
|
|
40000 542.78328 -3198.4918 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.214275 2.8308749 5.5814852 179412.45 2 4
|
|
40014 542.78328 -3217.9148 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.21420003 2.8308749 5.5814852 179412.45 2 4
|
|
Loop time of 0.00652599 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
40000 542.78328 -3198.4918 0.18612218 75.166934 0.2376931 567 560 6.0069324 0.214275 2.8308749 5.5814852 179412.45 2 4
|
|
41000 548.99015 -3197.5893 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21114634 2.8308749 5.5814852 184564.49 2 4
|
|
Loop time of 0.239863 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]
|
|
41000 548.99015 -3197.5893 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21114634 2.8308749 5.5814852 184564.49 2 4
|
|
41014 548.99015 -3217.9174 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21107427 2.8308749 5.5814852 184564.49 2 4
|
|
Loop time of 0.00668764 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
41000 548.99015 -3197.5893 0.30318345 1137.4995 0.18822056 124 135 6.0069324 0.21114634 2.8308749 5.5814852 184564.49 2 4
|
|
42000 492.4929 -3198.0535 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20954762 2.8308749 5.5814852 187620.86 2 4
|
|
Loop time of 0.238458 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]
|
|
42000 492.4929 -3198.0535 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20954762 2.8308749 5.5814852 187620.86 2 4
|
|
42014 492.4929 -3217.9154 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20947779 2.8308749 5.5814852 187620.86 2 4
|
|
Loop time of 0.00658375 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
42000 492.4929 -3198.0535 0.31406773 1464.4003 0.18294209 262 264 6.0069324 0.20954762 2.8308749 5.5814852 187620.86 2 4
|
|
43000 524.32334 -3199.9723 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20893023 2.8308749 5.5814852 189618.98 2 4
|
|
Loop time of 0.240476 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]
|
|
43000 524.32334 -3199.9723 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20893023 2.8308749 5.5814852 189618.98 2 4
|
|
43015 524.32334 -3217.9151 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20885738 2.8308749 5.5814852 189618.98 2 4
|
|
Loop time of 0.00655174 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
43000 524.32334 -3199.9723 0.171134 53.082676 0.24330204 287 276 6.0069324 0.20893023 2.8308749 5.5814852 189618.98 2 4
|
|
44000 490.60365 -3198.9839 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21018182 2.8308749 5.5814852 193452.76 2 4
|
|
Loop time of 0.240179 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]
|
|
44000 490.60365 -3198.9839 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21018182 2.8308749 5.5814852 193452.76 2 4
|
|
44015 490.60365 -3217.9148 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21011019 2.8308749 5.5814852 193452.76 2 4
|
|
Loop time of 0.00717342 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
44000 490.60365 -3198.9839 0.12604882 18.642955 0.25944404 544 276 6.0069324 0.21018182 2.8308749 5.5814852 193452.76 2 4
|
|
45000 516.91704 -3198.746 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.2092 2.8308749 5.5814852 194591.87 2 4
|
|
Loop time of 0.24121 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]
|
|
45000 516.91704 -3198.746 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.2092 2.8308749 5.5814852 194591.87 2 4
|
|
45013 516.91704 -3217.9155 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.20913958 2.8308749 5.5814852 194591.87 2 4
|
|
Loop time of 0.00649601 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
45000 516.91704 -3198.746 0.30358614 1148.1804 0.18802791 114 120 6.0069324 0.2092 2.8308749 5.5814852 194591.87 2 4
|
|
46000 511.1774 -3196.9369 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20769565 2.8308749 5.5814852 199937.52 2 4
|
|
Loop time of 0.239441 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]
|
|
46000 511.1774 -3196.9369 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20769565 2.8308749 5.5814852 199937.52 2 4
|
|
46015 511.1774 -3217.9159 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20762795 2.8308749 5.5814852 199937.52 2 4
|
|
Loop time of 0.00681973 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
46000 511.1774 -3196.9369 0.25070338 336.49294 0.21183341 138 259 6.0069324 0.20769565 2.8308749 5.5814852 199937.52 2 4
|
|
47000 480.5069 -3198.8501 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20602128 2.8308749 5.5814852 202107.88 2 4
|
|
Loop time of 0.24022 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]
|
|
47000 480.5069 -3198.8501 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20602128 2.8308749 5.5814852 202107.88 2 4
|
|
47016 480.5069 -3217.9167 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20595117 2.8308749 5.5814852 202107.88 2 4
|
|
Loop time of 0.007438 on 4 procs for 16 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
47000 480.5069 -3198.8501 0.071646863 5.2743358 0.27767529 544 556 6.0069324 0.20602128 2.8308749 5.5814852 202107.88 2 4
|
|
48000 540.51895 -3198.5792 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.2085 2.8308749 5.5814852 202899.91 2 4
|
|
Loop time of 0.241529 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]
|
|
48000 540.51895 -3198.5792 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.2085 2.8308749 5.5814852 202899.91 2 4
|
|
48015 540.51895 -3217.9148 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.20843486 2.8308749 5.5814852 202899.91 2 4
|
|
Loop time of 0.00695753 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
48000 540.51895 -3198.5792 0.04754734 3.0147795 0.28537953 544 556 6.0069324 0.2085 2.8308749 5.5814852 202899.91 2 4
|
|
49000 527.63013 -3199.0384 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20961224 2.8308749 5.5814852 210926.93 2 4
|
|
Loop time of 0.241009 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]
|
|
49000 527.63013 -3199.0384 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20961224 2.8308749 5.5814852 210926.93 2 4
|
|
49013 527.63013 -3217.9157 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20955665 2.8308749 5.5814852 210926.93 2 4
|
|
Loop time of 0.00608408 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
49000 527.63013 -3199.0384 0.28400417 728.84104 0.19717822 544 577 6.0069324 0.20961224 2.8308749 5.5814852 210926.93 2 4
|
|
50000 516.69962 -3198.3346 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20898 2.8308749 5.5814852 215664.98 2 4
|
|
Loop time of 0.239941 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]
|
|
50000 516.69962 -3198.3346 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20898 2.8308749 5.5814852 215664.98 2 4
|
|
50013 516.69962 -3217.9156 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20892568 2.8308749 5.5814852 215664.98 2 4
|
|
Loop time of 0.00602353 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
50000 516.69962 -3198.3346 0.35295929 3611.3455 0.16268782 266 243 6.0069324 0.20898 2.8308749 5.5814852 215664.98 2 4
|
|
51000 533.05598 -3198.0432 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.2065098 2.8308749 5.5814852 221609.1 2 4
|
|
Loop time of 0.240274 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]
|
|
51000 533.05598 -3198.0432 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.2065098 2.8308749 5.5814852 221609.1 2 4
|
|
51015 533.05598 -3217.9143 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.20644908 2.8308749 5.5814852 221609.1 2 4
|
|
Loop time of 0.00743866 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
51000 533.05598 -3198.0432 0.17474232 57.719563 0.2419636 123 128 6.0069324 0.2065098 2.8308749 5.5814852 221609.1 2 4
|
|
52000 545.98999 -3198.2633 0 1 0.30964409 287 276 6.0069324 0.20332692 2.8308749 5.5814852 230246.21 2 4
|
|
Loop time of 0.239709 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]
|
|
52000 545.98999 -3198.2633 0 1 0.30964409 287 276 6.0069324 0.20332692 2.8308749 5.5814852 230246.21 2 4
|
|
52017 545.98999 -3217.9153 0 1 0.30964409 287 276 6.0069324 0.20326047 2.8308749 5.5814852 230246.21 2 4
|
|
Loop time of 0.00786757 on 4 procs for 17 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
52000 545.98999 -3198.2633 0 1 0.30964409 287 276 6.0069324 0.20332692 2.8308749 5.5814852 230246.21 2 4
|
|
53000 453.58658 -3199.3577 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20366038 2.8308749 5.5814852 233492.88 2 4
|
|
Loop time of 0.240351 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]
|
|
53000 453.58658 -3199.3577 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20366038 2.8308749 5.5814852 233492.88 2 4
|
|
53014 453.58658 -3217.9131 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20360659 2.8308749 5.5814852 233492.88 2 4
|
|
Loop time of 0.0067966 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
53000 453.58658 -3199.3577 0.23959479 260.0198 0.21650159 278 279 6.0069324 0.20366038 2.8308749 5.5814852 233492.88 2 4
|
|
54000 502.12681 -3199.1712 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20264815 2.8308749 5.5814852 239627.25 2 4
|
|
Loop time of 0.238634 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]
|
|
54000 502.12681 -3199.1712 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20264815 2.8308749 5.5814852 239627.25 2 4
|
|
54014 502.12681 -3217.9165 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20259562 2.8308749 5.5814852 239627.25 2 4
|
|
Loop time of 0.00671387 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
54000 502.12681 -3199.1712 0.28827435 804.7747 0.19521941 550 563 6.0069324 0.20264815 2.8308749 5.5814852 239627.25 2 4
|
|
55000 470.7967 -3197.4136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20041818 2.8308749 5.5814852 246248.56 2 4
|
|
Loop time of 0.240888 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]
|
|
55000 470.7967 -3197.4136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20041818 2.8308749 5.5814852 246248.56 2 4
|
|
55013 470.7967 -3217.9136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20037082 2.8308749 5.5814852 246248.56 2 4
|
|
Loop time of 0.00596166 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
55000 470.7967 -3197.4136 0.31075641 1356.0734 0.18456394 285 283 6.0069324 0.20041818 2.8308749 5.5814852 246248.56 2 4
|
|
56000 533.34641 -3198.1323 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19926786 2.8308749 5.5814852 252499.61 2 4
|
|
Loop time of 0.239487 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]
|
|
56000 533.34641 -3198.1323 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19926786 2.8308749 5.5814852 252499.61 2 4
|
|
56014 533.34641 -3217.9162 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19921805 2.8308749 5.5814852 252499.61 2 4
|
|
Loop time of 0.00619745 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
56000 533.34641 -3198.1323 0.16761369 48.918113 0.24460077 287 276 6.0069324 0.19926786 2.8308749 5.5814852 252499.61 2 4
|
|
57000 516.06876 -3197.7671 0 1 0.33139119 287 276 6.0069324 0.19807018 2.8308749 5.5814852 255923.67 2 4
|
|
Loop time of 0.241093 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]
|
|
57000 516.06876 -3197.7671 0 1 0.33139119 287 276 6.0069324 0.19807018 2.8308749 5.5814852 255923.67 2 4
|
|
57016 516.06876 -3217.9146 0 1 0.33139119 287 276 6.0069324 0.19801459 2.8308749 5.5814852 255923.67 2 4
|
|
Loop time of 0.00772929 on 4 procs for 16 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
57000 516.06876 -3197.7671 0 1 0.33139119 287 276 6.0069324 0.19807018 2.8308749 5.5814852 255923.67 2 4
|
|
58000 489.18902 -3198.6347 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20094828 2.8308749 5.5814852 256132.07 2 4
|
|
Loop time of 0.239761 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]
|
|
58000 489.18902 -3198.6347 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20094828 2.8308749 5.5814852 256132.07 2 4
|
|
58014 489.18902 -3217.9165 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20089978 2.8308749 5.5814852 256132.07 2 4
|
|
Loop time of 0.00660753 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
58000 489.18902 -3198.6347 0.20937806 128.95422 0.22871806 544 276 6.0069324 0.20094828 2.8308749 5.5814852 256132.07 2 4
|
|
59000 522.75445 -3197.4454 0 1 0.91317104 274 556 6.0069324 0.20305085 2.8308749 5.5814852 259828.37 2 4
|
|
Loop time of 0.241627 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]
|
|
59000 522.75445 -3197.4454 0 1 0.91317104 274 556 6.0069324 0.20305085 2.8308749 5.5814852 259828.37 2 4
|
|
59013 522.75445 -3217.9138 0 1 0.91317104 274 556 6.0069324 0.20300612 2.8308749 5.5814852 259828.37 2 4
|
|
Loop time of 0.00618345 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
59000 522.75445 -3197.4454 0.40114631 11050.253 0.1333929 547 548 6.0069324 0.20305085 2.8308749 5.5814852 259828.37 3 6
|
|
60000 552.18712 -3197.1906 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20126667 2.8308749 5.5814852 263208.58 3 6
|
|
Loop time of 0.239681 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]
|
|
60000 552.18712 -3197.1906 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20126667 2.8308749 5.5814852 263208.58 3 6
|
|
60015 552.18712 -3217.9157 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20121636 2.8308749 5.5814852 263208.58 3 6
|
|
Loop time of 0.00685382 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
60000 552.18712 -3197.1906 0.21473769 146.03543 0.22659924 559 564 6.0069324 0.20126667 2.8308749 5.5814852 263208.58 3 6
|
|
61000 450.24979 -3197.259 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20103279 2.8308749 5.5814852 267126.63 3 6
|
|
Loop time of 0.239598 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]
|
|
61000 450.24979 -3197.259 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20103279 2.8308749 5.5814852 267126.63 3 6
|
|
61014 450.24979 -3217.9146 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20098666 2.8308749 5.5814852 267126.63 3 6
|
|
Loop time of 0.00683248 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
61000 450.24979 -3197.259 0.20870055 126.94235 0.2289845 412 411 6.0069324 0.20103279 2.8308749 5.5814852 267126.63 3 6
|
|
62000 506.89399 -3197.4659 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20074194 2.8308749 5.5814852 270687.24 3 6
|
|
Loop time of 0.238224 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]
|
|
62000 506.89399 -3197.4659 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20074194 2.8308749 5.5814852 270687.24 3 6
|
|
62014 506.89399 -3217.9156 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20069662 2.8308749 5.5814852 270687.24 3 6
|
|
Loop time of 0.00685287 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
62000 506.89399 -3197.4659 0.20762728 123.81933 0.22940595 256 267 6.0069324 0.20074194 2.8308749 5.5814852 270687.24 3 6
|
|
63000 510.04068 -3196.8255 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19930159 2.8308749 5.5814852 274694.1 3 6
|
|
Loop time of 0.238676 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]
|
|
63000 510.04068 -3196.8255 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19930159 2.8308749 5.5814852 274694.1 3 6
|
|
63014 510.04068 -3217.9141 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19925731 2.8308749 5.5814852 274694.1 3 6
|
|
Loop time of 0.00670481 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
63000 510.04068 -3196.8255 0.063053561 4.320671 0.28044671 112 123 6.0069324 0.19930159 2.8308749 5.5814852 274694.1 3 6
|
|
64000 501.25574 -3197.7101 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.2 2.8308749 5.5814852 276114.67 3 6
|
|
Loop time of 0.238342 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]
|
|
64000 501.25574 -3197.7101 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.2 2.8308749 5.5814852 276114.67 3 6
|
|
64014 501.25574 -3217.9141 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.19995626 2.8308749 5.5814852 276114.67 3 6
|
|
Loop time of 0.00604939 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
64000 501.25574 -3197.7101 0.083024533 6.8683042 0.27396274 286 119 6.0069324 0.2 2.8308749 5.5814852 276114.67 3 6
|
|
65000 476.31749 -3199.3383 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.19838462 2.8308749 5.5814852 282281.34 3 6
|
|
Loop time of 0.239458 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]
|
|
65000 476.31749 -3199.3383 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.19838462 2.8308749 5.5814852 282281.34 3 6
|
|
65014 476.31749 -3217.913 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.1983419 2.8308749 5.5814852 282281.34 3 6
|
|
Loop time of 0.00661784 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
65000 476.31749 -3199.3383 0.15323867 35.04097 0.24983402 267 260 6.0069324 0.19838462 2.8308749 5.5814852 282281.34 3 6
|
|
66000 515.81365 -3198.7056 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19919697 2.8308749 5.5814852 284618.61 3 6
|
|
Loop time of 0.239712 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]
|
|
66000 515.81365 -3198.7056 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19919697 2.8308749 5.5814852 284618.61 3 6
|
|
66014 515.81365 -3217.9165 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19915472 2.8308749 5.5814852 284618.61 3 6
|
|
Loop time of 0.00680089 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
66000 515.81365 -3198.7056 0.21680106 153.19903 0.22577823 416 415 6.0069324 0.19919697 2.8308749 5.5814852 284618.61 3 6
|
|
67000 484.31519 -3197.7852 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19846269 2.8308749 5.5814852 289586.09 3 6
|
|
Loop time of 0.239938 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]
|
|
67000 484.31519 -3197.7852 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19846269 2.8308749 5.5814852 289586.09 3 6
|
|
67014 484.31519 -3217.9146 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19842123 2.8308749 5.5814852 289586.09 3 6
|
|
Loop time of 0.00659657 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
67000 484.31519 -3197.7852 0.13298902 21.901246 0.25702524 275 567 6.0069324 0.19846269 2.8308749 5.5814852 289586.09 3 6
|
|
68000 484.02912 -3199.084 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19722059 2.8308749 5.5814852 298036.66 3 6
|
|
Loop time of 0.240483 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]
|
|
68000 484.02912 -3199.084 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19722059 2.8308749 5.5814852 298036.66 3 6
|
|
68014 484.02912 -3217.9156 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19717999 2.8308749 5.5814852 298036.66 3 6
|
|
Loop time of 0.00666052 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
68000 484.02912 -3199.084 0.23443259 230.66083 0.21863699 412 423 6.0069324 0.19722059 2.8308749 5.5814852 298036.66 3 6
|
|
69000 516.84151 -3198.3447 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19605797 2.8308749 5.5814852 302894.58 3 6
|
|
Loop time of 0.23984 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]
|
|
69000 516.84151 -3198.3447 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19605797 2.8308749 5.5814852 302894.58 3 6
|
|
69015 516.84151 -3217.9163 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19601536 2.8308749 5.5814852 302894.58 3 6
|
|
Loop time of 0.0070501 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
69000 516.84151 -3198.3447 0.20394137 113.66746 0.23084747 119 400 6.0069324 0.19605797 2.8308749 5.5814852 302894.58 3 6
|
|
70000 521.52008 -3198.1925 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19471429 2.8308749 5.5814852 308489.53 3 6
|
|
Loop time of 0.240016 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]
|
|
70000 521.52008 -3198.1925 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19471429 2.8308749 5.5814852 308489.53 3 6
|
|
70014 521.52008 -3217.9145 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19467535 2.8308749 5.5814852 308489.53 3 6
|
|
Loop time of 0.00656152 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
70000 521.52008 -3198.1925 0.26533657 472.57625 0.2055223 128 139 6.0069324 0.19471429 2.8308749 5.5814852 308489.53 3 6
|
|
71000 456.91639 -3199.2364 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19753521 2.8308749 5.5814852 308872.53 3 6
|
|
Loop time of 0.238921 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]
|
|
71000 456.91639 -3199.2364 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19753521 2.8308749 5.5814852 308872.53 3 6
|
|
71016 456.91639 -3217.9154 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19749071 2.8308749 5.5814852 308872.53 3 6
|
|
Loop time of 0.00665921 on 4 procs for 16 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
71000 456.91639 -3199.2364 0.030609593 2.0348424 0.29067211 555 275 6.0069324 0.19753521 2.8308749 5.5814852 308872.53 3 6
|
|
72000 505.77427 -3198.8053 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.20022222 2.8308749 5.5814852 308922.44 3 6
|
|
Loop time of 0.238494 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]
|
|
72000 505.77427 -3198.8053 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.20022222 2.8308749 5.5814852 308922.44 3 6
|
|
72014 505.77427 -3217.9154 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.2001833 2.8308749 5.5814852 308922.44 3 6
|
|
Loop time of 0.00666285 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
72000 505.77427 -3198.8053 0.011213996 1.2972748 0.29661672 275 567 6.0069324 0.20022222 2.8308749 5.5814852 308922.44 3 6
|
|
73000 505.42011 -3198.5745 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19989041 2.8308749 5.5814852 312318.94 3 6
|
|
Loop time of 0.240884 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]
|
|
73000 505.42011 -3198.5745 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19989041 2.8308749 5.5814852 312318.94 3 6
|
|
73014 505.42011 -3217.9145 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19985208 2.8308749 5.5814852 312318.94 3 6
|
|
Loop time of 0.00641418 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
73000 505.42011 -3198.5745 0.241922 274.45031 0.21553199 262 544 6.0069324 0.19989041 2.8308749 5.5814852 312318.94 3 6
|
|
74000 525.14325 -3197.1366 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.19893243 2.8308749 5.5814852 316054.12 3 6
|
|
Loop time of 0.239838 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]
|
|
74000 525.14325 -3197.1366 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.19893243 2.8308749 5.5814852 316054.12 3 6
|
|
74014 525.14325 -3217.9164 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.1988948 2.8308749 5.5814852 316054.12 3 6
|
|
Loop time of 0.00640178 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
74000 525.14325 -3197.1366 0.091100202 8.2841621 0.27129682 403 404 6.0069324 0.19893243 2.8308749 5.5814852 316054.12 3 6
|
|
75000 529.75357 -3196.8628 0.27468673 587.107 0.20138617 262 553 6.0069324 0.1974 2.8308749 5.5814852 320757.39 3 6
|
|
Loop time of 0.241485 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]
|
|
75000 529.75357 -3196.8628 0.27468673 587.107 0.20138617 262 553 6.0069324 0.1974 2.8308749 5.5814852 320757.39 3 6
|
|
75015 529.75357 -3217.9131 0.27468673 587.107 0.20138617 262 553 6.0069324 0.19736053 2.8308749 5.5814852 320757.39 3 6
|
|
Loop time of 0.00727272 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
75000 529.75357 -3196.8628 0.27468673 587.107 0.20138617 262 553 6.0069324 0.1974 2.8308749 5.5814852 320757.39 3 6
|
|
76000 494.67435 -3197.324 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19744737 2.8308749 5.5814852 321584.51 3 6
|
|
Loop time of 0.246189 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]
|
|
76000 494.67435 -3197.324 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19744737 2.8308749 5.5814852 321584.51 3 6
|
|
76015 494.67435 -3217.9124 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19740841 2.8308749 5.5814852 321584.51 3 6
|
|
Loop time of 0.00856209 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
76000 494.67435 -3197.324 0.026840032 1.8643837 0.29183693 555 275 6.0069324 0.19744737 2.8308749 5.5814852 321584.51 3 6
|
|
77000 478.4265 -3198.3778 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19802597 2.8308749 5.5814852 323214.67 3 6
|
|
Loop time of 0.244489 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]
|
|
77000 478.4265 -3198.3778 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19802597 2.8308749 5.5814852 323214.67 3 6
|
|
77014 478.4265 -3217.9158 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19798998 2.8308749 5.5814852 323214.67 3 6
|
|
Loop time of 0.00662231 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
77000 478.4265 -3198.3778 0.099536255 10.075814 0.26848366 283 272 6.0069324 0.19802597 2.8308749 5.5814852 323214.67 3 6
|
|
78000 501.53059 -3199.1386 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19646154 2.8308749 5.5814852 328321.34 3 6
|
|
Loop time of 0.238902 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]
|
|
78000 501.53059 -3199.1386 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19646154 2.8308749 5.5814852 328321.34 3 6
|
|
78014 501.53059 -3217.9148 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19642628 2.8308749 5.5814852 328321.34 3 6
|
|
Loop time of 0.00632596 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
78000 501.53059 -3199.1386 0.013408722 1.3650665 0.29595005 420 431 6.0069324 0.19646154 2.8308749 5.5814852 328321.34 3 6
|
|
79000 500.93975 -3198.0923 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19506329 2.8308749 5.5814852 333018.93 3 6
|
|
Loop time of 0.238987 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]
|
|
79000 500.93975 -3198.0923 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19506329 2.8308749 5.5814852 333018.93 3 6
|
|
79014 500.93975 -3217.9148 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19502873 2.8308749 5.5814852 333018.93 3 6
|
|
Loop time of 0.00644779 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
79000 500.93975 -3198.0923 0.116093 14.796691 0.26287499 428 543 6.0069324 0.19506329 2.8308749 5.5814852 333018.93 3 6
|
|
80000 521.43512 -3199.0487 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.193625 2.8308749 5.5814852 337716.24 3 6
|
|
Loop time of 0.238806 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]
|
|
80000 521.43512 -3199.0487 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.193625 2.8308749 5.5814852 337716.24 3 6
|
|
80014 521.43512 -3217.9164 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.19359112 2.8308749 5.5814852 337716.24 3 6
|
|
Loop time of 0.00644064 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
80000 521.43512 -3199.0487 0.15540998 36.852069 0.2490506 253 136 6.0069324 0.193625 2.8308749 5.5814852 337716.24 3 6
|
|
81000 533.69561 -3197.1168 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19222222 2.8308749 5.5814852 343062.81 3 6
|
|
Loop time of 0.240714 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]
|
|
81000 533.69561 -3197.1168 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19222222 2.8308749 5.5814852 343062.81 3 6
|
|
81015 533.69561 -3217.9142 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19218663 2.8308749 5.5814852 343062.81 3 6
|
|
Loop time of 0.00675607 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
81000 533.69561 -3197.1168 0.24520241 296.1616 0.21415781 575 280 6.0069324 0.19222222 2.8308749 5.5814852 343062.81 3 6
|
|
82000 522.58314 -3197.6951 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19130488 2.8308749 5.5814852 347897.31 3 6
|
|
Loop time of 0.239094 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]
|
|
82000 522.58314 -3197.6951 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19130488 2.8308749 5.5814852 347897.31 3 6
|
|
82014 522.58314 -3217.917 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19127222 2.8308749 5.5814852 347897.31 3 6
|
|
Loop time of 0.00662041 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
82000 522.58314 -3197.6951 0.34607713 3078.2225 0.16645154 569 570 6.0069324 0.19130488 2.8308749 5.5814852 347897.31 3 6
|
|
83000 518.24081 -3196.6457 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18978313 2.8308749 5.5814852 355870.51 3 6
|
|
Loop time of 0.240335 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]
|
|
83000 518.24081 -3196.6457 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18978313 2.8308749 5.5814852 355870.51 3 6
|
|
83015 518.24081 -3217.9151 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18974884 2.8308749 5.5814852 355870.51 3 6
|
|
Loop time of 0.00710487 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
83000 518.24081 -3196.6457 0.27556929 599.25687 0.20099136 512 523 6.0069324 0.18978313 2.8308749 5.5814852 355870.51 3 6
|
|
84000 524.77376 -3198.1195 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.189 2.8308749 5.5814852 358623.76 3 6
|
|
Loop time of 0.239069 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]
|
|
84000 524.77376 -3198.1195 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.189 2.8308749 5.5814852 358623.76 3 6
|
|
84014 524.77376 -3217.9145 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.18896851 2.8308749 5.5814852 358623.76 3 6
|
|
Loop time of 0.00662088 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
84000 524.77376 -3198.1195 0.32714869 1983.8549 0.17638944 275 567 6.0069324 0.189 2.8308749 5.5814852 358623.76 3 6
|
|
85000 485.77334 -3199.2545 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19102353 2.8308749 5.5814852 362933.93 3 6
|
|
Loop time of 0.240117 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]
|
|
85000 485.77334 -3199.2545 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19102353 2.8308749 5.5814852 362933.93 3 6
|
|
85014 485.77334 -3217.9148 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19099207 2.8308749 5.5814852 362933.93 3 6
|
|
Loop time of 0.00642967 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
85000 485.77334 -3199.2545 0.0027767134 1.0665667 0.29916583 275 567 6.0069324 0.19102353 2.8308749 5.5814852 362933.93 3 6
|
|
86000 520.32504 -3197.8586 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19181395 2.8308749 5.5814852 366756.98 3 6
|
|
Loop time of 0.23899 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]
|
|
86000 520.32504 -3197.8586 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19181395 2.8308749 5.5814852 366756.98 3 6
|
|
86014 520.32504 -3217.9156 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19178273 2.8308749 5.5814852 366756.98 3 6
|
|
Loop time of 0.00667548 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
86000 520.32504 -3197.8586 0.34074416 2719.857 0.16931052 572 403 6.0069324 0.19181395 2.8308749 5.5814852 366756.98 3 6
|
|
87000 492.06505 -3198.9245 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19096552 2.8308749 5.5814852 370757.69 3 6
|
|
Loop time of 0.241176 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]
|
|
87000 492.06505 -3198.9245 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19096552 2.8308749 5.5814852 370757.69 3 6
|
|
87014 492.06505 -3217.9141 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19093479 2.8308749 5.5814852 370757.69 3 6
|
|
Loop time of 0.00634283 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
87000 492.06505 -3198.9245 0.35508545 3794.0215 0.16150733 282 284 6.0069324 0.19096552 2.8308749 5.5814852 370757.69 3 6
|
|
88000 519.1972 -3199.3527 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19025 2.8308749 5.5814852 375119.46 3 6
|
|
Loop time of 0.239888 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]
|
|
88000 519.1972 -3199.3527 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19025 2.8308749 5.5814852 375119.46 3 6
|
|
88014 519.1972 -3217.9152 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19021974 2.8308749 5.5814852 375119.46 3 6
|
|
Loop time of 0.00669366 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
88000 519.1972 -3199.3527 0.27684477 617.26171 0.20041941 411 416 6.0069324 0.19025 2.8308749 5.5814852 375119.46 3 6
|
|
89000 524.26014 -3198.5355 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19220225 2.8308749 5.5814852 375708.76 3 6
|
|
Loop time of 0.241238 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]
|
|
89000 524.26014 -3198.5355 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19220225 2.8308749 5.5814852 375708.76 3 6
|
|
89014 524.26014 -3217.9158 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19217202 2.8308749 5.5814852 375708.76 3 6
|
|
Loop time of 0.00632095 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
89000 524.26014 -3198.5355 0.3001416 1059.9631 0.18966948 432 431 6.0069324 0.19220225 2.8308749 5.5814852 375708.76 3 6
|
|
90000 498.11952 -3200.0434 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19212222 2.8308749 5.5814852 380021.68 3 6
|
|
Loop time of 0.240092 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]
|
|
90000 498.11952 -3200.0434 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19212222 2.8308749 5.5814852 380021.68 3 6
|
|
90013 498.11952 -3217.9105 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19209448 2.8308749 5.5814852 380021.68 3 6
|
|
Loop time of 0.00614023 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
90000 498.11952 -3200.0434 0.2737435 574.39407 0.20180726 96 141 6.0069324 0.19212222 2.8308749 5.5814852 380021.68 3 6
|
|
91000 518.719 -3198.4974 0 1 0.38452588 128 139 6.0069324 0.19137363 2.8308749 5.5814852 386325.64 3 6
|
|
Loop time of 0.240887 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]
|
|
91000 518.719 -3198.4974 0 1 0.38452588 128 139 6.0069324 0.19137363 2.8308749 5.5814852 386325.64 3 6
|
|
91015 518.719 -3217.9166 0 1 0.38452588 128 139 6.0069324 0.19134209 2.8308749 5.5814852 386325.64 3 6
|
|
Loop time of 0.00709724 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
91000 518.719 -3198.4974 0 1 0.38452588 128 139 6.0069324 0.19137363 2.8308749 5.5814852 386325.64 3 6
|
|
92000 489.88256 -3197.3306 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19186957 2.8308749 5.5814852 387621.28 3 6
|
|
Loop time of 0.241415 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]
|
|
92000 489.88256 -3197.3306 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19186957 2.8308749 5.5814852 387621.28 3 6
|
|
92014 489.88256 -3217.9165 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19184037 2.8308749 5.5814852 387621.28 3 6
|
|
Loop time of 0.00761282 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
92000 489.88256 -3197.3306 0.22381505 180.28261 0.22296478 554 556 6.0069324 0.19186957 2.8308749 5.5814852 387621.28 3 6
|
|
93000 470.86218 -3199.1842 0 1 0.35506745 275 567 6.0069324 0.19339785 2.8308749 5.5814852 388253.6 3 6
|
|
Loop time of 0.242326 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]
|
|
93000 470.86218 -3199.1842 0 1 0.35506745 275 567 6.0069324 0.19339785 2.8308749 5.5814852 388253.6 3 6
|
|
93015 470.86218 -3217.9141 0 1 0.35506745 275 567 6.0069324 0.19336666 2.8308749 5.5814852 388253.6 3 6
|
|
Loop time of 0.006814 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
93000 470.86218 -3199.1842 0 1 0.35506745 275 567 6.0069324 0.19339785 2.8308749 5.5814852 388253.6 3 6
|
|
94000 500.15102 -3200.7696 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19425532 2.8308749 5.5814852 390879.44 3 6
|
|
Loop time of 0.239427 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]
|
|
94000 500.15102 -3200.7696 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19425532 2.8308749 5.5814852 390879.44 3 6
|
|
94014 500.15102 -3217.9143 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19422639 2.8308749 5.5814852 390879.44 3 6
|
|
Loop time of 0.00671053 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
94000 500.15102 -3200.7696 0.21997392 164.90621 0.2245099 547 552 6.0069324 0.19425532 2.8308749 5.5814852 390879.44 3 6
|
|
95000 490.13908 -3196.2455 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19329474 2.8308749 5.5814852 393723.55 3 6
|
|
Loop time of 0.240334 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]
|
|
95000 490.13908 -3196.2455 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19329474 2.8308749 5.5814852 393723.55 3 6
|
|
95014 490.13908 -3217.9156 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19326626 2.8308749 5.5814852 393723.55 3 6
|
|
Loop time of 0.00659347 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
95000 490.13908 -3196.2455 0.24009629 263.06397 0.21629301 404 411 6.0069324 0.19329474 2.8308749 5.5814852 393723.55 3 6
|
|
96000 487.33226 -3198.9357 0 1 0.37635306 275 567 6.0069324 0.19283333 2.8308749 5.5814852 397503.57 3 6
|
|
Loop time of 0.239501 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]
|
|
96000 487.33226 -3198.9357 0 1 0.37635306 275 567 6.0069324 0.19283333 2.8308749 5.5814852 397503.57 3 6
|
|
96016 487.33226 -3217.9155 0 1 0.37635306 275 567 6.0069324 0.1928012 2.8308749 5.5814852 397503.57 3 6
|
|
Loop time of 0.00752759 on 4 procs for 16 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
96000 487.33226 -3198.9357 0 1 0.37635306 275 567 6.0069324 0.19283333 2.8308749 5.5814852 397503.57 3 6
|
|
97000 474.12539 -3199.8196 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19291753 2.8308749 5.5814852 402607.83 3 6
|
|
Loop time of 0.241445 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]
|
|
97000 474.12539 -3199.8196 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19291753 2.8308749 5.5814852 402607.83 3 6
|
|
97014 474.12539 -3217.9109 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19288969 2.8308749 5.5814852 402607.83 3 6
|
|
Loop time of 0.00657606 on 4 procs for 14 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
97000 474.12539 -3199.8196 0.35035926 3399.8667 0.16411988 543 577 6.0069324 0.19291753 2.8308749 5.5814852 402607.83 3 6
|
|
98000 529.81368 -3198.9595 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.19226531 2.8308749 5.5814852 408103.05 3 6
|
|
Loop time of 0.239002 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]
|
|
98000 529.81368 -3198.9595 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.19226531 2.8308749 5.5814852 408103.05 3 6
|
|
98013 529.81368 -3217.9152 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.1922398 2.8308749 5.5814852 408103.05 3 6
|
|
Loop time of 0.00612688 on 4 procs for 13 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
98000 529.81368 -3198.9595 0.31966379 1667.4989 0.18016803 219 257 6.0069324 0.19226531 2.8308749 5.5814852 408103.05 3 6
|
|
99000 521.70465 -3199.4429 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19121212 2.8308749 5.5814852 410506.47 3 6
|
|
Loop time of 0.239787 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]
|
|
99000 521.70465 -3199.4429 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19121212 2.8308749 5.5814852 410506.47 3 6
|
|
99015 521.70465 -3217.9162 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19118315 2.8308749 5.5814852 410506.47 3 6
|
|
Loop time of 0.00708294 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11]
|
|
99000 521.70465 -3199.4429 0.069318452 4.9968747 0.27842895 404 399 6.0069324 0.19121212 2.8308749 5.5814852 410506.47 3 6
|
|
100000 513.67972 -3199.6382 0.37912459 6628.3181 0.14750449 554 556 6.0069324 0.19018 2.8308749 5.5814852 415873.98 3 6
|
|
Loop time of 0.239291 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]
|
|
100000 513.67972 -3199.6382 0.37912459 6628.3181 0.14750449 554 556 6.0069324 0.19018 2.8308749 5.5814852 415873.98 3 6
|
|
100015 513.67972 -3217.9139 0.37912459 6628.3181 0.14750449 554 556 6.0069324 0.19015148 2.8308749 5.5814852 415873.98 3 6
|
|
Loop time of 0.00685054 on 4 procs for 15 steps with 577 atoms
|
|
|
|
Final hyper stats ...
|
|
|
|
Cummulative quantities for fix hyper:
|
|
hyper time = 415874
|
|
event timesteps = 3
|
|
# of atoms in events = 6
|
|
Quantities for this hyper run:
|
|
event timesteps = 3
|
|
# of atoms in events = 6
|
|
max length of any bond = 5.58149
|
|
max drift distance of any atom = 2.83087
|
|
fraction of steps & bonds with zero bias = 0.19018
|
|
Current quantities:
|
|
ave bonds/atom = 6.00693
|
|
|
|
Loop time of 25.9832 on 4 procs for 100000 steps with 577 atoms
|
|
|
|
Performance: 1662.613 ns/day, 0.014 hours/ns, 3848.641 timesteps/s
|
|
100.4% CPU use with 4 MPI tasks x no OpenMP threads
|
|
|
|
Hyper stats:
|
|
Dynamics time (%) = 24.8121 (95.4928)
|
|
Quench time (%) = 0.715868 (2.75512)
|
|
Other time (%) = 0.879782 (3.38596)
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 17.954 | 18.433 | 18.794 | 8.4 | 70.94
|
|
Neigh | 1.4147 | 1.4662 | 1.5092 | 2.9 | 5.64
|
|
Comm | 2.0975 | 2.2026 | 2.3076 | 5.6 | 8.48
|
|
Output | 0.0030999 | 0.0031937 | 0.003444 | 0.3 | 0.01
|
|
Modify | 2.6366 | 2.9984 | 3.4835 | 19.3 | 11.54
|
|
Other | | 0.8798 | | | 3.39
|
|
|
|
Nlocal: 144.25 ave 150 max 139 min
|
|
Histogram: 1 0 1 0 0 0 1 0 0 1
|
|
Nghost: 533.25 ave 538 max 527 min
|
|
Histogram: 1 0 0 0 1 0 0 0 1 1
|
|
Neighs: 3359.25 ave 3495 max 3245 min
|
|
Histogram: 1 0 1 0 0 1 0 0 0 1
|
|
|
|
Total # of neighbors = 13437
|
|
Ave neighs/atom = 23.2877
|
|
Neighbor list builds = 10069
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:26
|