forked from lijiext/lammps
1252 lines
126 KiB
Groff
1252 lines
126 KiB
Groff
LAMMPS (2 Jun 2020)
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using 1 OpenMP thread(s) per MPI task
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# 3d EAM surface for global HD
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# nearest neighbor distance = a * sqrt(2)/2 = 2.77 Angs for Pt with a = 3.92
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# hop event on (100) surface is same distance
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# exchange event is 2 atoms moving same distance
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variable Tequil index 500.0
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variable Vmax index 0.5
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variable qfactor index 0.3
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variable cutbond index 3.2
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variable cutevent index 1.1
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variable steps index 100000
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variable nevent index 1000
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variable zoom index 1.8
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variable seed index 826626413
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variable tol index 1.0e-15
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units metal
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atom_style atomic
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atom_modify map array
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boundary p p p
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lattice fcc 3.92
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Lattice spacing in x,y,z = 3.92 3.92 3.92
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region box block 0 6 0 6 0 4
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create_box 3 box
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Created orthogonal box = (0.0 0.0 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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create_atoms CPU = 0.000 seconds
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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 0.0 -0.392) to (23.52 23.52 19.6)
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WARNING: Reset image flags for non-periodic boundary (src/domain.cpp:1909)
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create_atoms 2 single 3.5 3.5 4
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Created 1 atoms
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create_atoms CPU = 0.000 seconds
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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 typegroup base type 3
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288 atoms in group base
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group mobile type 1 2
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289 atoms in group mobile
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# pair style
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pair_style eam/alloy
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pair_coeff * * ptvoterlammps.eam Pt Pt Pt
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neighbor 0.5 bin
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neigh_modify every 1 delay 5 check yes
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fix 1 mobile nve
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fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
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fix 2 mobile langevin 500.0 ${Tequil} 1.0 ${seed} zero yes
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fix 2 mobile langevin 500.0 500.0 1.0 ${seed} zero yes
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fix 2 mobile langevin 500.0 500.0 1.0 826626413 zero yes
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timestep 0.005
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compute tmobile mobile temp
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thermo 100
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thermo_modify temp tmobile
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WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:486)
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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) = 3.328 | 3.328 | 3.328 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 0 -3213.9136 0 -3213.9136 -51843.125
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100 223.70164 -3209.0653 0 -3200.7375 -26575.84
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200 345.18355 -3206.1371 0 -3193.2869 -42327.268
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300 411.05681 -3203.8465 0 -3188.5442 -32455.226
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400 446.05938 -3202.2976 0 -3185.6922 -35377.683
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500 435.52439 -3200.2131 0 -3183.9999 -31477.028
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600 474.70282 -3199.4049 0 -3181.7332 -34761.287
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700 492.00191 -3201.1592 0 -3182.8435 -33036.989
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800 440.88631 -3198.37 0 -3181.9572 -34669.762
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900 475.14414 -3198.5845 0 -3180.8964 -31191.883
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1000 476.87852 -3197.3442 0 -3179.5914 -33731.074
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Loop time of 0.195228 on 4 procs for 1000 steps with 577 atoms
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Performance: 2212.801 ns/day, 0.011 hours/ns, 5122.224 timesteps/s
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90.5% CPU use with 4 MPI tasks x 1 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 | 0.14588 | 0.14716 | 0.14992 | 0.4 | 75.38
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Neigh | 0.009866 | 0.0099873 | 0.010199 | 0.1 | 5.12
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Comm | 0.022859 | 0.024568 | 0.027702 | 1.2 | 12.58
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Output | 0.00011969 | 0.0004012 | 0.0012434 | 0.0 | 0.21
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Modify | 0.0075953 | 0.010694 | 0.013921 | 2.6 | 5.48
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Other | | 0.002417 | | | 1.24
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Nlocal: 144.25 ave 147 max 141 min
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Histogram: 1 0 0 1 0 0 0 0 1 1
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Nghost: 527.5 ave 533 max 523 min
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Histogram: 1 0 0 0 2 0 0 0 0 1
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Neighs: 3477.25 ave 3585 max 3399 min
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Histogram: 1 0 1 0 1 0 0 0 0 1
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Total # of neighbors = 13909
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Ave neighs/atom = 24.1057
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Neighbor list builds = 91
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Dangerous builds = 0
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reset_timestep 0
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# pin base so will not move during quenches
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fix freeze base setforce 0.0 0.0 0.0
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# event detection
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compute event all event/displace ${cutevent}
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compute event all event/displace 1.1
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# hyper/global
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fix HG mobile hyper/global ${cutbond} ${qfactor} ${Vmax} ${Tequil}
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fix HG mobile hyper/global 3.2 ${qfactor} ${Vmax} ${Tequil}
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fix HG mobile hyper/global 3.2 0.3 ${Vmax} ${Tequil}
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fix HG mobile hyper/global 3.2 0.3 0.5 ${Tequil}
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fix HG mobile hyper/global 3.2 0.3 0.5 500.0
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# thermo output
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thermo_style custom step temp pe f_HG f_HG[*]
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WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:709)
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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 (src/thermo.cpp:486)
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thermo ${nevent}
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thermo 1000
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# dump output options
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region substrate block INF INF INF INF 1.8 3.8
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region adatoms block INF INF INF INF 3.8 INF
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variable acolor atom rmask(base)+2*rmask(substrate)+3*rmask(adatoms)
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dump 1 all image 1000000 global.*.jpg v_acolor type zoom ${zoom} adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
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dump 1 all image 1000000 global.*.jpg v_acolor type zoom 1.8 adiam 2.5 view 0.0 0.0 up 0 1 0 axes yes 0.9 0.01
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dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green
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# run
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hyper ${steps} ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
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hyper 100000 ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1
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hyper 100000 1000 HG event min ${tol} ${tol} 1000 1000 dump 1
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hyper 100000 1000 HG event min 1.0e-15 ${tol} 1000 1000 dump 1
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hyper 100000 1000 HG event min 1.0e-15 1.0e-15 1000 1000 dump 1
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WARNING: Resetting reneighboring criteria during hyper (src/REPLICA/hyper.cpp:131)
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Neighbor list info ...
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 6.07583
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ghost atom cutoff = 6.07583
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binsize = 3.03792, bins = 8 8 7
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2 neighbor lists, perpetual/occasional/extra = 1 1 0
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(1) pair eam/alloy, perpetual
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attributes: half, newton on
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pair build: half/bin/atomonly/newton
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stencil: half/bin/3d/newton
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bin: standard
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(2) fix hyper/global, occasional, copy from (1)
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attributes: half, newton on
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pair build: copy
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stencil: none
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bin: none
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Per MPI rank memory allocation (min/avg/max) = 6.015 | 6.015 | 6.015 Mbytes
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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0 476.87852 -3197.3442 0 0 0 0 0 0 0 0 0 0 0 0 0
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53 476.87852 -3217.9192 0 0 0 0 0 0 0 0 0 0 0 0 0
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Loop time of 0.016781 on 4 procs for 53 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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0 476.87852 -3197.3442 0.33187212 2213.7063 0.17396269 129 131 5.9965398 0 0 0 3.3552688 0 0 0
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1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0
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Loop time of 0.145301 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0
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1059 487.34979 -3217.9192 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.15580737 0 0 3.9974111 6134.6092 0 0
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Loop time of 0.0201806 on 4 procs for 59 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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1000 487.34979 -3198.3697 0.19401776 90.283981 0.23468448 543 548 5.9965398 0.165 0 0 3.9974111 6134.6092 0 0
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2000 522.93873 -3197.4748 0.1540961 35.745266 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0
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Loop time of 0.147897 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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2000 522.93873 -3197.4748 0.1540961 35.745266 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0
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2058 522.93873 -3217.9192 0.1540961 35.745266 0.24952495 120 131 5.9965398 0.15986395 0 0 4.0370436 10213.644 0 0
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Loop time of 0.0195917 on 4 procs for 58 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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2000 522.93873 -3197.4748 0.1540961 35.745266 0.24952495 120 131 5.9965398 0.1645 0 0 4.0370436 10213.644 0 0
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3000 485.3853 -3198.0446 0.081070283 6.5637429 0.27460399 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0
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Loop time of 0.147192 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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3000 485.3853 -3198.0446 0.081070283 6.5637429 0.27460399 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0
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3061 485.3853 -3217.9192 0.081070283 6.5637429 0.27460399 120 131 5.9965398 0.14211042 0 0 4.0370436 13331.739 0 0
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Loop time of 0.0219681 on 4 procs for 61 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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3000 485.3853 -3198.0446 0.081070283 6.5637429 0.27460399 120 131 5.9965398 0.145 0 0 4.0370436 13331.739 0 0
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4000 518.88739 -3198.6269 0 1 0.33014438 548 555 5.9965398 0.1715 0 0 4.0370436 14346.606 0 0
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Loop time of 0.146592 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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4000 518.88739 -3198.6269 0 1 0.33014438 548 555 5.9965398 0.1715 0 0 4.0370436 14346.606 0 0
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4057 518.88739 -3217.9192 0 1 0.33014438 548 555 5.9965398 0.16909046 0 0 4.0370436 14346.606 0 0
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Loop time of 0.0203461 on 4 procs for 57 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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4000 518.88739 -3198.6269 0 1 0.33014438 548 555 5.9965398 0.1715 0 0 4.0370436 14346.606 0 0
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5000 514.60377 -3197.5544 0.049185081 3.131578 0.28486257 283 288 5.9965398 0.2044 0 0 4.0370436 15492.612 0 0
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Loop time of 0.146422 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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5000 514.60377 -3197.5544 0.049185081 3.131578 0.28486257 283 288 5.9965398 0.2044 0 0 4.0370436 15492.612 0 0
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5052 514.60377 -3217.9192 0.049185081 3.131578 0.28486257 283 288 5.9965398 0.20229612 0 0 4.0370436 15492.612 0 0
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Loop time of 0.0185522 on 4 procs for 52 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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5000 514.60377 -3197.5544 0.049185081 3.131578 0.28486257 283 288 5.9965398 0.2044 0 0 4.0370436 15492.612 0 0
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6000 506.58554 -3198.6556 0.030839451 2.0457268 0.29060093 543 544 5.9965398 0.19533333 0 0 4.0370436 19375.801 0 0
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Loop time of 0.152313 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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6000 506.58554 -3198.6556 0.030839451 2.0457268 0.29060093 543 544 5.9965398 0.19533333 0 0 4.0370436 19375.801 0 0
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6059 506.58554 -3217.9192 0.030839451 2.0457268 0.29060093 543 544 5.9965398 0.19343126 0 0 4.0370436 19375.801 0 0
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Loop time of 0.0202745 on 4 procs for 59 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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6000 506.58554 -3198.6556 0.030839451 2.0457268 0.29060093 543 544 5.9965398 0.19533333 0 0 4.0370436 19375.801 0 0
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7000 501.46891 -3198.8168 0.19756174 98.024002 0.23332142 404 411 5.9965398 0.19728571 0 0 4.0370436 20874.431 0 0
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Loop time of 0.146604 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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7000 501.46891 -3198.8168 0.19756174 98.024002 0.23332142 404 411 5.9965398 0.19728571 0 0 4.0370436 20874.431 0 0
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7061 501.46891 -3217.9192 0.19756174 98.024002 0.23332142 404 411 5.9965398 0.19558136 0 0 4.0370436 20874.431 0 0
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Loop time of 0.0208374 on 4 procs for 61 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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7000 501.46891 -3198.8168 0.19756174 98.024002 0.23332142 404 411 5.9965398 0.19728571 0 0 4.0370436 20874.431 0 0
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8000 554.51151 -3197.0193 0.14419359 28.405722 0.25307144 566 567 5.9965398 0.191125 0 0 4.0370436 23877.855 0 0
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Loop time of 0.14606 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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8000 554.51151 -3197.0193 0.14419359 28.405722 0.25307144 566 567 5.9965398 0.191125 0 0 4.0370436 23877.855 0 0
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8060 554.51151 -3217.9192 0.14419359 28.405722 0.25307144 566 567 5.9965398 0.18970223 0 0 4.0370436 23877.855 0 0
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Loop time of 0.0208338 on 4 procs for 60 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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8000 554.51151 -3197.0193 0.14419359 28.405722 0.25307144 566 567 5.9965398 0.191125 0 0 4.0370436 23877.855 0 0
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9000 463.4842 -3196.912 0.21724312 154.77893 0.22560194 268 279 5.9965398 0.19755556 0 0 4.0370436 25828.393 0 0
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Loop time of 0.146869 on 4 procs for 1000 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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9000 463.4842 -3196.912 0.21724312 154.77893 0.22560194 268 279 5.9965398 0.19755556 0 0 4.0370436 25828.393 0 0
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9058 463.4842 -3217.9192 0.21724312 154.77893 0.22560194 268 279 5.9965398 0.19629057 0 0 4.0370436 25828.393 0 0
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Loop time of 0.020185 on 4 procs for 58 steps with 577 atoms
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Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
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9000 463.4842 -3196.912 0.21724312 154.77893 0.22560194 268 279 5.9965398 0.19755556 0 0 4.0370436 25828.393 0 0
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10000 522.84322 -3198.0918 0.14965464 32.244128 0.25112181 400 411 5.9965398 0.1939 0 0 4.0593269 33904.005 0 0
|
|
Loop time of 0.145414 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
10000 522.84322 -3198.0918 0.14965464 32.244128 0.25112181 400 411 5.9965398 0.1939 0 0 4.0593269 33904.005 0 0
|
|
10054 522.84322 -3217.9192 0.14965464 32.244128 0.25112181 400 411 5.9965398 0.19285856 0 0 4.0593269 33904.005 0 0
|
|
Loop time of 0.0188997 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
10000 522.84322 -3198.0918 0.14965464 32.244128 0.25112181 400 411 5.9965398 0.1939 0 0 4.0593269 33904.005 0 0
|
|
11000 496.84666 -3197.603 0.099165645 9.9895191 0.26860786 566 567 5.9965398 0.18272727 0 0 4.0593269 42381.675 0 0
|
|
Loop time of 0.147122 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
11000 496.84666 -3197.603 0.099165645 9.9895191 0.26860786 566 567 5.9965398 0.18272727 0 0 4.0593269 42381.675 0 0
|
|
11052 496.84666 -3217.9192 0.099165645 9.9895191 0.26860786 566 567 5.9965398 0.18186754 0 0 4.0593269 42381.675 0 0
|
|
Loop time of 0.01815 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
11000 496.84666 -3197.603 0.099165645 9.9895191 0.26860786 566 567 5.9965398 0.18272727 0 0 4.0593269 42381.675 0 0
|
|
12000 505.35386 -3197.4499 0 1 0.3380327 543 544 5.9965398 0.1845 0 0 4.0593269 45849.92 0 0
|
|
Loop time of 0.149886 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
12000 505.35386 -3197.4499 0 1 0.3380327 543 544 5.9965398 0.1845 0 0 4.0593269 45849.92 0 0
|
|
12062 505.35386 -3217.9192 0 1 0.3380327 543 544 5.9965398 0.18355165 0 0 4.0593269 45849.92 0 0
|
|
Loop time of 0.021822 on 4 procs for 62 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
12000 505.35386 -3197.4499 0 1 0.3380327 543 544 5.9965398 0.1845 0 0 4.0593269 45849.92 0 0
|
|
13000 480.8416 -3198.2763 0.309288 1310.6367 0.1852786 400 411 5.9965398 0.18761538 0 0 4.0593269 47530.263 0 0
|
|
Loop time of 0.149809 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
13000 480.8416 -3198.2763 0.309288 1310.6367 0.1852786 400 411 5.9965398 0.18761538 0 0 4.0593269 47530.263 0 0
|
|
13059 480.8416 -3217.9192 0.309288 1310.6367 0.1852786 400 411 5.9965398 0.18676775 0 0 4.0593269 47530.263 0 0
|
|
Loop time of 0.0209084 on 4 procs for 59 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
13000 480.8416 -3198.2763 0.309288 1310.6367 0.1852786 400 411 5.9965398 0.18761538 0 0 4.0593269 47530.263 0 0
|
|
14000 500.22368 -3198.4114 0.29111143 859.54923 0.19390705 283 276 5.9965398 0.18785714 0 0 4.0593269 53252.052 0 0
|
|
Loop time of 0.145794 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
14000 500.22368 -3198.4114 0.29111143 859.54923 0.19390705 283 276 5.9965398 0.18785714 0 0 4.0593269 53252.052 0 0
|
|
14055 500.22368 -3217.9192 0.29111143 859.54923 0.19390705 283 276 5.9965398 0.18712202 0 0 4.0593269 53252.052 0 0
|
|
Loop time of 0.0188122 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
14000 500.22368 -3198.4114 0.29111143 859.54923 0.19390705 283 276 5.9965398 0.18785714 0 0 4.0593269 53252.052 0 0
|
|
15000 538.71132 -3198.8617 0.3801243 6783.9082 0.14689325 44 77 5.9965398 0.18586667 0 0 4.0593269 57737.583 0 0
|
|
Loop time of 0.147841 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
15000 538.71132 -3198.8617 0.3801243 6783.9082 0.14689325 44 77 5.9965398 0.18586667 0 0 4.0593269 57737.583 0 0
|
|
15057 538.71132 -3217.9192 0.3801243 6783.9082 0.14689325 44 77 5.9965398 0.18516305 0 0 4.0593269 57737.583 0 0
|
|
Loop time of 0.0198176 on 4 procs for 57 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
15000 538.71132 -3198.8617 0.3801243 6783.9082 0.14689325 44 77 5.9965398 0.18586667 0 0 4.0593269 57737.583 0 0
|
|
16000 543.33859 -3199.9956 0.19111474 84.401396 0.23579514 132 139 5.9965398 0.181125 0 0 4.0593269 63865.395 0 0
|
|
Loop time of 0.146735 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
16000 543.33859 -3199.9956 0.19111474 84.401396 0.23579514 132 139 5.9965398 0.181125 0 0 4.0593269 63865.395 0 0
|
|
16055 543.33859 -3217.9192 0.19111474 84.401396 0.23579514 132 139 5.9965398 0.18050452 0 0 4.0593269 63865.395 0 0
|
|
Loop time of 0.0192626 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
16000 543.33859 -3199.9956 0.19111474 84.401396 0.23579514 132 139 5.9965398 0.181125 0 0 4.0593269 63865.395 0 0
|
|
17000 490.07066 -3199.3253 0 1 0.5532913 542 548 5.9965398 0.18670588 0.00011764706 0 4.3314109 65817.26 0 0
|
|
Loop time of 0.149352 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
17000 490.07066 -3199.3253 0 1 0.5532913 542 548 5.9965398 0.18670588 0.00011764706 0 4.3314109 65817.26 0 0
|
|
17062 490.07066 -3217.9192 0 1 0.5532913 542 548 5.9965398 0.18602743 0.00011721955 0 4.3314109 65817.26 0 0
|
|
Loop time of 0.0210718 on 4 procs for 62 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
17000 490.07066 -3199.3253 0 1 0.37750286 546 577 5.9965398 0.18670588 0.00011764706 2.3326658 4.3314109 65817.26 1 2
|
|
18000 505.37149 -3196.5764 0.05904738 3.9370481 0.28172943 577 559 5.9965398 0.1985 0.00011111111 2.3326658 4.3314109 66073.732 1 2
|
|
Loop time of 0.1473 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
18000 505.37149 -3196.5764 0.05904738 3.9370481 0.28172943 577 559 5.9965398 0.1985 0.00011111111 2.3326658 4.3314109 66073.732 1 2
|
|
18054 505.37149 -3217.9192 0.05904738 3.9370481 0.28172943 577 559 5.9965398 0.19790628 0.00011077877 2.3326658 4.3314109 66073.732 1 2
|
|
Loop time of 0.0193232 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
18000 505.37149 -3196.5764 0.05904738 3.9370481 0.28172943 577 559 5.9965398 0.1985 0.00011111111 2.3326658 4.3314109 66073.732 1 2
|
|
19000 503.43264 -3199.2564 0.34097427 2734.4218 0.16918815 120 131 5.9965398 0.20194737 0.00010526316 2.3326658 4.3314109 67732.221 1 2
|
|
Loop time of 0.151556 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
19000 503.43264 -3199.2564 0.34097427 2734.4218 0.16918815 120 131 5.9965398 0.20194737 0.00010526316 2.3326658 4.3314109 67732.221 1 2
|
|
19051 503.43264 -3217.9192 0.34097427 2734.4218 0.16918815 120 131 5.9965398 0.20140675 0.00010498137 2.3326658 4.3314109 67732.221 1 2
|
|
Loop time of 0.0205157 on 4 procs for 51 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
19000 503.43264 -3199.2564 0.34097427 2734.4218 0.16918815 120 131 5.9965398 0.20194737 0.00010526316 2.3326658 4.3314109 67732.221 1 2
|
|
20000 559.61766 -3198.5969 0.16649032 47.659186 0.24501376 547 577 5.9965398 0.199 0.0001 2.3326658 4.3314109 69744.058 1 2
|
|
Loop time of 0.156098 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
20000 559.61766 -3198.5969 0.16649032 47.659186 0.24501376 547 577 5.9965398 0.199 0.0001 2.3326658 4.3314109 69744.058 1 2
|
|
20053 559.61766 -3217.9192 0.16649032 47.659186 0.24501376 547 577 5.9965398 0.19847404 9.97357e-05 2.3326658 4.3314109 69744.058 1 2
|
|
Loop time of 0.0182987 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
20000 559.61766 -3198.5969 0.16649032 47.659186 0.24501376 547 577 5.9965398 0.199 0.0001 2.3326658 4.3314109 69744.058 1 2
|
|
21000 503.72669 -3199.3736 0.012368068 1.3324917 0.29626635 422 428 5.9965398 0.20119048 9.5238095e-05 2.3326658 4.3314109 71770.464 1 2
|
|
Loop time of 0.154307 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
21000 503.72669 -3199.3736 0.012368068 1.3324917 0.29626635 422 428 5.9965398 0.20119048 9.5238095e-05 2.3326658 4.3314109 71770.464 1 2
|
|
21058 503.72669 -3217.9192 0.012368068 1.3324917 0.29626635 422 428 5.9965398 0.20063634 9.4975781e-05 2.3326658 4.3314109 71770.464 1 2
|
|
Loop time of 0.0207435 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
21000 503.72669 -3199.3736 0.012368068 1.3324917 0.29626635 422 428 5.9965398 0.20119048 9.5238095e-05 2.3326658 4.3314109 71770.464 1 2
|
|
22000 486.98754 -3197.1447 0.23977869 261.13202 0.21642513 279 272 5.9965398 0.19681818 9.0909091e-05 2.3326658 4.3314109 75656.753 1 2
|
|
Loop time of 0.157122 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
22000 486.98754 -3197.1447 0.23977869 261.13202 0.21642513 279 272 5.9965398 0.19681818 9.0909091e-05 2.3326658 4.3314109 75656.753 1 2
|
|
22058 486.98754 -3217.9192 0.23977869 261.13202 0.21642513 279 272 5.9965398 0.19630066 9.0670052e-05 2.3326658 4.3314109 75656.753 1 2
|
|
Loop time of 0.0203064 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
22000 486.98754 -3197.1447 0.23977869 261.13202 0.21642513 279 272 5.9965398 0.19681818 9.0909091e-05 2.3326658 4.3314109 75656.753 1 2
|
|
23000 511.33335 -3198.5706 0 1 0.30898744 559 552 5.9965398 0.19234783 8.6956522e-05 2.3326658 4.3314109 82685.638 1 2
|
|
Loop time of 0.174749 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
23000 511.33335 -3198.5706 0 1 0.30898744 559 552 5.9965398 0.19234783 8.6956522e-05 2.3326658 4.3314109 82685.638 1 2
|
|
23061 511.33335 -3217.9192 0 1 0.30898744 559 552 5.9965398 0.19183904 8.6726508e-05 2.3326658 4.3314109 82685.638 1 2
|
|
Loop time of 0.0211805 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
23000 511.33335 -3198.5706 0 1 0.30898744 559 552 5.9965398 0.19234783 8.6956522e-05 2.3326658 4.3314109 82685.638 1 2
|
|
24000 439.83658 -3199.3369 0.11373595 14.008983 0.26368073 559 552 5.9965398 0.19383333 8.3333333e-05 2.3326658 4.3314109 86916.692 1 2
|
|
Loop time of 0.153472 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
24000 439.83658 -3199.3369 0.11373595 14.008983 0.26368073 559 552 5.9965398 0.19383333 8.3333333e-05 2.3326658 4.3314109 86916.692 1 2
|
|
24058 439.83658 -3217.9192 0.11373595 14.008983 0.26368073 559 552 5.9965398 0.19336603 8.313243e-05 2.3326658 4.3314109 86916.692 1 2
|
|
Loop time of 0.020292 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
24000 439.83658 -3199.3369 0.11373595 14.008983 0.26368073 559 552 5.9965398 0.19383333 8.3333333e-05 2.3326658 4.3314109 86916.692 1 2
|
|
25000 482.02958 -3198.1109 0.063469298 4.3625623 0.28031326 542 555 5.9965398 0.20524 8e-05 2.3326658 4.3314109 87784.27 1 2
|
|
Loop time of 0.148144 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
25000 482.02958 -3198.1109 0.063469298 4.3625623 0.28031326 542 555 5.9965398 0.20524 8e-05 2.3326658 4.3314109 87784.27 1 2
|
|
25059 482.02958 -3217.9192 0.063469298 4.3625623 0.28031326 542 555 5.9965398 0.20475677 7.9811645e-05 2.3326658 4.3314109 87784.27 1 2
|
|
Loop time of 0.0205369 on 4 procs for 59 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
25000 482.02958 -3198.1109 0.063469298 4.3625623 0.28031326 542 555 5.9965398 0.20524 8e-05 2.3326658 4.3314109 87784.27 1 2
|
|
26000 486.52764 -3198.3906 0.116385 14.89731 0.262775 397 400 5.9965398 0.20761538 7.6923077e-05 2.3326658 4.3314109 91753.377 1 2
|
|
Loop time of 0.14674 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
26000 486.52764 -3198.3906 0.116385 14.89731 0.262775 397 400 5.9965398 0.20761538 7.6923077e-05 2.3326658 4.3314109 91753.377 1 2
|
|
26053 486.52764 -3217.9192 0.116385 14.89731 0.262775 397 400 5.9965398 0.20719303 7.6766591e-05 2.3326658 4.3314109 91753.377 1 2
|
|
Loop time of 0.0185652 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
26000 486.52764 -3198.3906 0.116385 14.89731 0.262775 397 400 5.9965398 0.20761538 7.6923077e-05 2.3326658 4.3314109 91753.377 1 2
|
|
27000 491.56858 -3198.0209 0.10940684 12.669841 0.26515424 547 577 5.9965398 0.20855556 7.4074074e-05 2.3326658 4.3314109 94297.122 1 2
|
|
Loop time of 0.14728 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
27000 491.56858 -3198.0209 0.10940684 12.669841 0.26515424 547 577 5.9965398 0.20855556 7.4074074e-05 2.3326658 4.3314109 94297.122 1 2
|
|
27056 491.56858 -3217.9192 0.10940684 12.669841 0.26515424 547 577 5.9965398 0.20812389 7.3920757e-05 2.3326658 4.3314109 94297.122 1 2
|
|
Loop time of 0.0191085 on 4 procs for 56 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
27000 491.56858 -3198.0209 0.10940684 12.669841 0.26515424 547 577 5.9965398 0.20855556 7.4074074e-05 2.3326658 4.3314109 94297.122 1 2
|
|
28000 519.4954 -3196.0664 0.025007775 1.7867632 0.29240144 577 559 5.9965398 0.21421429 7.1428571e-05 2.3326658 4.3314109 94378.053 1 2
|
|
Loop time of 0.146811 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
28000 519.4954 -3196.0664 0.025007775 1.7867632 0.29240144 577 559 5.9965398 0.21421429 7.1428571e-05 2.3326658 4.3314109 94378.053 1 2
|
|
28060 519.4954 -3217.9192 0.025007775 1.7867632 0.29240144 577 559 5.9965398 0.21375624 7.1275837e-05 2.3326658 4.3314109 94378.053 1 2
|
|
Loop time of 0.0211228 on 4 procs for 60 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
28000 519.4954 -3196.0664 0.025007775 1.7867632 0.29240144 577 559 5.9965398 0.21421429 7.1428571e-05 2.3326658 4.3314109 94378.053 1 2
|
|
29000 454.14475 -3200.2181 0.36135143 4387.9126 0.15797703 265 562 5.9965398 0.22003448 6.8965517e-05 2.3326658 4.3314109 95605.534 1 2
|
|
Loop time of 0.149433 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
29000 454.14475 -3200.2181 0.36135143 4387.9126 0.15797703 265 562 5.9965398 0.22003448 6.8965517e-05 2.3326658 4.3314109 95605.534 1 2
|
|
29053 454.14475 -3217.9192 0.36135143 4387.9126 0.15797703 265 562 5.9965398 0.21963308 6.8839707e-05 2.3326658 4.3314109 95605.534 1 2
|
|
Loop time of 0.0191249 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
29000 454.14475 -3200.2181 0.36135143 4387.9126 0.15797703 265 562 5.9965398 0.22003448 6.8965517e-05 2.3326658 4.3314109 95605.534 1 2
|
|
30000 463.0948 -3197.3905 0.065836434 4.6089425 0.27955222 281 279 5.9965398 0.21493333 6.6666667e-05 2.3326658 4.3314109 104759.4 1 2
|
|
Loop time of 0.145204 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
30000 463.0948 -3197.3905 0.065836434 4.6089425 0.27955222 281 279 5.9965398 0.21493333 6.6666667e-05 2.3326658 4.3314109 104759.4 1 2
|
|
30057 463.0948 -3217.9192 0.065836434 4.6089425 0.27955222 281 279 5.9965398 0.21452573 6.654024e-05 2.3326658 4.3314109 104759.4 1 2
|
|
Loop time of 0.0197849 on 4 procs for 57 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
30000 463.0948 -3197.3905 0.065836434 4.6089425 0.27955222 281 279 5.9965398 0.21493333 6.6666667e-05 2.3326658 4.3314109 104759.4 1 2
|
|
31000 470.20997 -3198.7725 0.30650691 1228.7122 0.18662464 116 123 5.9965398 0.21122581 0.00022580645 2.3326658 4.3314109 107768.77 1 2
|
|
Loop time of 0.149046 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
31000 470.20997 -3198.7725 0.30650691 1228.7122 0.18662464 116 123 5.9965398 0.21122581 0.00022580645 2.3326658 4.3314109 107768.77 1 2
|
|
31053 470.20997 -3217.9192 0.30650691 1228.7122 0.18662464 116 123 5.9965398 0.21086529 0.00022542105 2.3326658 4.3314109 107768.77 1 2
|
|
Loop time of 0.0194628 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
31000 470.20997 -3198.7725 0.30650691 1228.7122 0.18662464 116 123 5.9965398 0.21122581 0.00022580645 2.3326658 4.3314109 107768.77 1 2
|
|
32000 467.3025 -3198.6724 0.20477341 115.88383 0.23052285 560 571 5.9965398 0.20815625 0.00021875 2.3326658 4.3314109 112711.61 1 2
|
|
Loop time of 0.146647 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
32000 467.3025 -3198.6724 0.20477341 115.88383 0.23052285 560 571 5.9965398 0.20815625 0.00021875 2.3326658 4.3314109 112711.61 1 2
|
|
32053 467.3025 -3217.9192 0.20477341 115.88383 0.23052285 560 571 5.9965398 0.20781206 0.00021838829 2.3326658 4.3314109 112711.61 1 2
|
|
Loop time of 0.0189477 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
32000 467.3025 -3198.6724 0.20477341 115.88383 0.23052285 560 571 5.9965398 0.20815625 0.00021875 2.3326658 4.3314109 112711.61 1 2
|
|
33000 492.40434 -3197.9325 0.30066167 1072.8346 0.18942254 283 288 5.9965398 0.20536364 0.00021212121 2.3326658 4.3314109 118244.09 1 2
|
|
Loop time of 0.14777 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
33000 492.40434 -3197.9325 0.30066167 1072.8346 0.18942254 283 288 5.9965398 0.20536364 0.00021212121 2.3326658 4.3314109 118244.09 1 2
|
|
33052 492.40434 -3217.9192 0.30066167 1072.8346 0.18942254 283 288 5.9965398 0.20504054 0.00021178749 2.3326658 4.3314109 118244.09 1 2
|
|
Loop time of 0.0184236 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
33000 492.40434 -3197.9325 0.30066167 1072.8346 0.18942254 283 288 5.9965398 0.20536364 0.00021212121 2.3326658 4.3314109 118244.09 1 2
|
|
34000 486.83952 -3198.5172 0.20144987 107.28106 0.23181679 264 275 5.9965398 0.20773529 0.00020588235 2.3326658 4.3314109 121750.06 1 2
|
|
Loop time of 0.147566 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
34000 486.83952 -3198.5172 0.20144987 107.28106 0.23181679 264 275 5.9965398 0.20773529 0.00020588235 2.3326658 4.3314109 121750.06 1 2
|
|
34053 486.83952 -3217.9192 0.20144987 107.28106 0.23181679 264 275 5.9965398 0.20741198 0.00020556192 2.3326658 4.3314109 121750.06 1 2
|
|
Loop time of 0.0189959 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
34000 486.83952 -3198.5172 0.20144987 107.28106 0.23181679 264 275 5.9965398 0.20773529 0.00020588235 2.3326658 4.3314109 121750.06 1 2
|
|
35000 541.61221 -3198.9881 0.33208019 2224.4219 0.17385502 85 383 5.9965398 0.20451429 0.0002 2.3326658 4.3314109 125636.89 1 2
|
|
Loop time of 0.150541 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
35000 541.61221 -3198.9881 0.33208019 2224.4219 0.17385502 85 383 5.9965398 0.20451429 0.0002 2.3326658 4.3314109 125636.89 1 2
|
|
35053 541.61221 -3217.9192 0.33208019 2224.4219 0.17385502 85 383 5.9965398 0.20420506 0.0001996976 2.3326658 4.3314109 125636.89 1 2
|
|
Loop time of 0.018761 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
35000 541.61221 -3198.9881 0.33208019 2224.4219 0.17385502 85 383 5.9965398 0.20451429 0.0002 2.3326658 4.3314109 125636.89 1 2
|
|
36000 495.57311 -3198.5397 0 1 0.35521767 279 284 5.9965398 0.20219444 0.00019444444 2.3326658 4.3314109 129998.42 1 2
|
|
Loop time of 0.152818 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
36000 495.57311 -3198.5397 0 1 0.35521767 279 284 5.9965398 0.20219444 0.00019444444 2.3326658 4.3314109 129998.42 1 2
|
|
36054 495.57311 -3217.9192 0 1 0.35521767 279 284 5.9965398 0.20189161 0.00019415321 2.3326658 4.3314109 129998.42 1 2
|
|
Loop time of 0.0188267 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
36000 495.57311 -3198.5397 0 1 0.35521767 279 284 5.9965398 0.20219444 0.00019444444 2.3326658 4.3314109 129998.42 1 2
|
|
37000 526.07108 -3199.8791 0 1 0.31298637 415 420 5.9965398 0.19894595 0.00018918919 2.3326658 4.3314109 138599.17 1 2
|
|
Loop time of 0.146616 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
37000 526.07108 -3199.8791 0 1 0.31298637 415 420 5.9965398 0.19894595 0.00018918919 2.3326658 4.3314109 138599.17 1 2
|
|
37059 526.07108 -3217.9192 0 1 0.31298637 415 420 5.9965398 0.19862921 0.00018888799 2.3326658 4.3314109 138599.17 1 2
|
|
Loop time of 0.020471 on 4 procs for 59 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
37000 526.07108 -3199.8791 0 1 0.31298637 415 420 5.9965398 0.19894595 0.00018918919 2.3326658 4.3314109 138599.17 1 2
|
|
38000 546.57696 -3198.709 0.29924515 1038.1377 0.19009438 570 576 5.9965398 0.196 0.00018421053 2.3326658 4.3314109 145249.68 1 2
|
|
Loop time of 0.147942 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
38000 546.57696 -3198.709 0.29924515 1038.1377 0.19009438 570 576 5.9965398 0.196 0.00018421053 2.3326658 4.3314109 145249.68 1 2
|
|
38054 546.57696 -3217.9192 0.29924515 1038.1377 0.19009438 570 576 5.9965398 0.19572187 0.00018394912 2.3326658 4.3314109 145249.68 1 2
|
|
Loop time of 0.0191819 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
38000 546.57696 -3198.709 0.29924515 1038.1377 0.19009438 570 576 5.9965398 0.196 0.00018421053 2.3326658 4.3314109 145249.68 1 2
|
|
39000 499.91506 -3199.9649 0.19715714 97.107823 0.23347744 424 423 5.9965398 0.19302564 0.00017948718 2.3326658 4.3314109 147736.34 1 2
|
|
Loop time of 0.147371 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
39000 499.91506 -3199.9649 0.19715714 97.107823 0.23347744 424 423 5.9965398 0.19302564 0.00017948718 2.3326658 4.3314109 147736.34 1 2
|
|
39052 499.91506 -3217.9192 0.19715714 97.107823 0.23347744 424 423 5.9965398 0.19276862 0.00017924818 2.3326658 4.3314109 147736.34 1 2
|
|
Loop time of 0.0177755 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
39000 499.91506 -3199.9649 0.19715714 97.107823 0.23347744 424 423 5.9965398 0.19302564 0.00017948718 2.3326658 4.3314109 147736.34 1 2
|
|
40000 474.08403 -3199.5942 0.16043015 41.405965 0.2472298 125 116 5.9965398 0.1896 0.000175 2.3326658 4.3314109 154329.28 1 2
|
|
Loop time of 0.145757 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
40000 474.08403 -3199.5942 0.16043015 41.405965 0.2472298 125 116 5.9965398 0.1896 0.000175 2.3326658 4.3314109 154329.28 1 2
|
|
40054 474.08403 -3217.9192 0.16043015 41.405965 0.2472298 125 116 5.9965398 0.18934439 0.00017476407 2.3326658 4.3314109 154329.28 1 2
|
|
Loop time of 0.0190914 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
40000 474.08403 -3199.5942 0.16043015 41.405965 0.2472298 125 116 5.9965398 0.1896 0.000175 2.3326658 4.3314109 154329.28 1 2
|
|
41000 478.39587 -3197.4644 0.19799057 99.004491 0.23315595 123 128 5.9965398 0.18921951 0.00017073171 2.3326658 4.3314109 160000.98 1 2
|
|
Loop time of 0.148949 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
41000 478.39587 -3197.4644 0.19799057 99.004491 0.23315595 123 128 5.9965398 0.18921951 0.00017073171 2.3326658 4.3314109 160000.98 1 2
|
|
41061 478.39587 -3217.9192 0.19799057 99.004491 0.23315595 123 128 5.9965398 0.18893841 0.00017047807 2.3326658 4.3314109 160000.98 1 2
|
|
Loop time of 0.0214614 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
41000 478.39587 -3197.4644 0.19799057 99.004491 0.23315595 123 128 5.9965398 0.18921951 0.00017073171 2.3326658 4.3314109 160000.98 1 2
|
|
42000 514.00749 -3200.9466 0.23889092 255.80664 0.21679399 577 559 5.9965398 0.18911905 0.00016666667 2.3326658 4.3314109 161054.99 1 2
|
|
Loop time of 0.147446 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
42000 514.00749 -3200.9466 0.23889092 255.80664 0.21679399 577 559 5.9965398 0.18911905 0.00016666667 2.3326658 4.3314109 161054.99 1 2
|
|
42059 514.00749 -3217.9192 0.23889092 255.80664 0.21679399 577 559 5.9965398 0.18885375 0.00016643287 2.3326658 4.3314109 161054.99 1 2
|
|
Loop time of 0.020681 on 4 procs for 59 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
42000 514.00749 -3200.9466 0.23889092 255.80664 0.21679399 577 559 5.9965398 0.18911905 0.00016666667 2.3326658 4.3314109 161054.99 1 2
|
|
43000 539.25745 -3197.7124 0.2272214 195.11394 0.22158553 559 552 5.9965398 0.1902093 0.0001627907 2.3326658 4.3314109 165820.17 1 2
|
|
Loop time of 0.145577 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
43000 539.25745 -3197.7124 0.2272214 195.11394 0.22158553 559 552 5.9965398 0.1902093 0.0001627907 2.3326658 4.3314109 165820.17 1 2
|
|
43057 539.25745 -3217.9192 0.2272214 195.11394 0.22158553 559 552 5.9965398 0.1899575 0.00016257519 2.3326658 4.3314109 165820.17 1 2
|
|
Loop time of 0.0196458 on 4 procs for 57 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
43000 539.25745 -3197.7124 0.2272214 195.11394 0.22158553 559 552 5.9965398 0.1902093 0.0001627907 2.3326658 4.3314109 165820.17 1 2
|
|
44000 490.05902 -3198.6993 0 1 0.92846783 546 552 5.9965398 0.20618182 0.00015909091 2.3326658 5.5445865 165830.19 1 2
|
|
Loop time of 0.149024 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
44000 490.05902 -3198.6993 0 1 0.92846783 546 552 5.9965398 0.20618182 0.00015909091 2.3326658 5.5445865 165830.19 1 2
|
|
44059 490.05902 -3217.9192 0 1 0.92846783 546 552 5.9965398 0.20590572 0.00015887787 2.3326658 5.5445865 165830.19 1 2
|
|
Loop time of 0.0206496 on 4 procs for 59 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
44000 490.05902 -3198.6993 0.35638881 3910.5432 0.16077939 230 236 5.9965398 0.20618182 0.00015909091 2.332667 5.5445865 165830.19 2 4
|
|
45000 483.33637 -3198.8192 0.028253093 1.9265413 0.29140083 111 116 5.9965398 0.20375556 0.00015555556 2.332667 5.5445865 171051.31 2 4
|
|
Loop time of 0.147292 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
45000 483.33637 -3198.8192 0.028253093 1.9265413 0.29140083 111 116 5.9965398 0.20375556 0.00015555556 2.332667 5.5445865 171051.31 2 4
|
|
45054 483.33637 -3217.9192 0.028253093 1.9265413 0.29140083 111 116 5.9965398 0.20351134 0.00015536911 2.332667 5.5445865 171051.31 2 4
|
|
Loop time of 0.0189967 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
45000 483.33637 -3198.8192 0.028253093 1.9265413 0.29140083 111 116 5.9965398 0.20375556 0.00015555556 2.332667 5.5445865 171051.31 2 4
|
|
46000 477.60275 -3197.5319 0.2869403 780.23907 0.19583346 257 140 5.9965398 0.20502174 0.00015217391 2.332667 5.5445865 173658.75 2 4
|
|
Loop time of 0.146994 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
46000 477.60275 -3197.5319 0.2869403 780.23907 0.19583346 257 140 5.9965398 0.20502174 0.00015217391 2.332667 5.5445865 173658.75 2 4
|
|
46054 477.60275 -3217.9192 0.2869403 780.23907 0.19583346 257 140 5.9965398 0.20478134 0.00015199548 2.332667 5.5445865 173658.75 2 4
|
|
Loop time of 0.0192491 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
46000 477.60275 -3197.5319 0.2869403 780.23907 0.19583346 257 140 5.9965398 0.20502174 0.00015217391 2.332667 5.5445865 173658.75 2 4
|
|
47000 521.34153 -3198.5751 0 1 0.35188792 115 116 5.9965398 0.20693617 0.00014893617 2.332667 5.5445865 174765.77 2 4
|
|
Loop time of 0.150082 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
47000 521.34153 -3198.5751 0 1 0.35188792 115 116 5.9965398 0.20693617 0.00014893617 2.332667 5.5445865 174765.77 2 4
|
|
47053 521.34153 -3217.9192 0 1 0.35188792 115 116 5.9965398 0.20670308 0.00014876841 2.332667 5.5445865 174765.77 2 4
|
|
Loop time of 0.0192085 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
47000 521.34153 -3198.5751 0 1 0.35188792 115 116 5.9965398 0.20693617 0.00014893617 2.332667 5.5445865 174765.77 2 4
|
|
48000 541.31479 -3198.7131 0 1 0.33712983 563 256 5.9965398 0.20533333 0.00014583333 2.332667 5.5445865 182326.46 2 4
|
|
Loop time of 0.147438 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
48000 541.31479 -3198.7131 0 1 0.33712983 563 256 5.9965398 0.20533333 0.00014583333 2.332667 5.5445865 182326.46 2 4
|
|
48060 541.31479 -3217.9192 0 1 0.33712983 563 256 5.9965398 0.20507699 0.00014565127 2.332667 5.5445865 182326.46 2 4
|
|
Loop time of 0.0201835 on 4 procs for 60 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
48000 541.31479 -3198.7131 0 1 0.33712983 563 256 5.9965398 0.20533333 0.00014583333 2.332667 5.5445865 182326.46 2 4
|
|
49000 452.11261 -3198.407 0 1 0.31483556 548 563 5.9965398 0.20673469 0.00014285714 2.332667 5.5445865 185690.59 2 4
|
|
Loop time of 0.151182 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
49000 452.11261 -3198.407 0 1 0.31483556 548 563 5.9965398 0.20673469 0.00014285714 2.332667 5.5445865 185690.59 2 4
|
|
49054 452.11261 -3217.9192 0 1 0.31483556 548 563 5.9965398 0.20650711 0.00014269988 2.332667 5.5445865 185690.59 2 4
|
|
Loop time of 0.0202584 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
49000 452.11261 -3198.407 0 1 0.31483556 548 563 5.9965398 0.20673469 0.00014285714 2.332667 5.5445865 185690.59 2 4
|
|
50000 467.29807 -3198.3148 0.06855095 4.9086536 0.27867693 548 563 5.9965398 0.20636 0.0003 2.332667 5.5445865 193139.54 2 4
|
|
Loop time of 0.146241 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
50000 467.29807 -3198.3148 0.06855095 4.9086536 0.27867693 548 563 5.9965398 0.20636 0.0003 2.332667 5.5445865 193139.54 2 4
|
|
50063 467.29807 -3217.9192 0.06855095 4.9086536 0.27867693 548 563 5.9965398 0.20610031 0.00029962248 2.332667 5.5445865 193139.54 2 4
|
|
Loop time of 0.0221142 on 4 procs for 63 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
50000 467.29807 -3198.3148 0.06855095 4.9086536 0.27867693 548 563 5.9965398 0.20636 0.0003 2.332667 5.5445865 193139.54 2 4
|
|
51000 501.62342 -3201.5498 0.40026778 10827.223 0.13398433 406 112 5.9965398 0.20668627 0.00029411765 2.332667 5.5445865 196921.52 2 4
|
|
Loop time of 0.14753 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
51000 501.62342 -3201.5498 0.40026778 10827.223 0.13398433 406 112 5.9965398 0.20668627 0.00029411765 2.332667 5.5445865 196921.52 2 4
|
|
51051 501.62342 -3217.9192 0.40026778 10827.223 0.13398433 406 112 5.9965398 0.20647979 0.00029382382 2.332667 5.5445865 196921.52 2 4
|
|
Loop time of 0.0181563 on 4 procs for 51 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
51000 501.62342 -3201.5498 0.40026778 10827.223 0.13398433 406 112 5.9965398 0.20668627 0.00029411765 2.332667 5.5445865 196921.52 2 4
|
|
52000 530.03691 -3199.0384 0.33213868 2227.444 0.17382473 128 127 5.9965398 0.20465385 0.00028846154 2.332667 5.5445865 201405.55 2 4
|
|
Loop time of 0.146685 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
52000 530.03691 -3199.0384 0.33213868 2227.444 0.17382473 128 127 5.9965398 0.20465385 0.00028846154 2.332667 5.5445865 201405.55 2 4
|
|
52052 530.03691 -3217.9192 0.33213868 2227.444 0.17382473 128 127 5.9965398 0.2044494 0.00028817337 2.332667 5.5445865 201405.55 2 4
|
|
Loop time of 0.0245662 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
52000 530.03691 -3199.0384 0.33213868 2227.444 0.17382473 128 127 5.9965398 0.20465385 0.00028846154 2.332667 5.5445865 201405.55 2 4
|
|
53000 476.23675 -3197.8718 0.16551582 46.593376 0.24537146 285 276 5.9965398 0.20318868 0.00028301887 2.332667 5.5445865 206506.23 2 4
|
|
Loop time of 0.168646 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
53000 476.23675 -3197.8718 0.16551582 46.593376 0.24537146 285 276 5.9965398 0.20318868 0.00028301887 2.332667 5.5445865 206506.23 2 4
|
|
53053 476.23675 -3217.9192 0.16551582 46.593376 0.24537146 285 276 5.9965398 0.20298569 0.00028273613 2.332667 5.5445865 206506.23 2 4
|
|
Loop time of 0.0190916 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
53000 476.23675 -3197.8718 0.16551582 46.593376 0.24537146 285 276 5.9965398 0.20318868 0.00028301887 2.332667 5.5445865 206506.23 2 4
|
|
54000 494.85478 -3197.5779 0.022382673 1.6811527 0.29320832 268 279 5.9965398 0.20059259 0.00027777778 2.332667 5.5445865 213644.3 2 4
|
|
Loop time of 0.147166 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
54000 494.85478 -3197.5779 0.022382673 1.6811527 0.29320832 268 279 5.9965398 0.20059259 0.00027777778 2.332667 5.5445865 213644.3 2 4
|
|
54053 494.85478 -3217.9192 0.022382673 1.6811527 0.29320832 268 279 5.9965398 0.20039591 0.00027750541 2.332667 5.5445865 213644.3 2 4
|
|
Loop time of 0.0190244 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
54000 494.85478 -3197.5779 0.022382673 1.6811527 0.29320832 268 279 5.9965398 0.20059259 0.00027777778 2.332667 5.5445865 213644.3 2 4
|
|
55000 502.92342 -3199.4636 0.3276566 2007.3793 0.1761301 400 411 5.9965398 0.19972727 0.00027272727 2.332667 5.5445865 215172.4 2 4
|
|
Loop time of 0.145777 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
55000 502.92342 -3199.4636 0.3276566 2007.3793 0.1761301 400 411 5.9965398 0.19972727 0.00027272727 2.332667 5.5445865 215172.4 2 4
|
|
55061 502.92342 -3217.9192 0.3276566 2007.3793 0.1761301 400 411 5.9965398 0.199506 0.00027242513 2.332667 5.5445865 215172.4 2 4
|
|
Loop time of 0.021274 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
55000 502.92342 -3199.4636 0.3276566 2007.3793 0.1761301 400 411 5.9965398 0.19972727 0.00027272727 2.332667 5.5445865 215172.4 2 4
|
|
56000 521.1487 -3198.5105 0 1 0.31151142 428 547 5.9965398 0.19716071 0.00026785714 2.332667 5.5445865 220366.14 2 4
|
|
Loop time of 0.149004 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
56000 521.1487 -3198.5105 0 1 0.31151142 428 547 5.9965398 0.19716071 0.00026785714 2.332667 5.5445865 220366.14 2 4
|
|
56055 521.1487 -3217.9192 0 1 0.31151142 428 547 5.9965398 0.19696726 0.00026759433 2.332667 5.5445865 220366.14 2 4
|
|
Loop time of 0.019273 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
56000 521.1487 -3198.5105 0 1 0.31151142 428 547 5.9965398 0.19716071 0.00026785714 2.332667 5.5445865 220366.14 2 4
|
|
57000 481.95031 -3199.5907 0.41736767 16101.867 0.12195827 412 411 5.9965398 0.19584211 0.00026315789 2.332667 5.5445865 229464.45 2 4
|
|
Loop time of 0.146342 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
57000 481.95031 -3199.5907 0.41736767 16101.867 0.12195827 412 411 5.9965398 0.19584211 0.00026315789 2.332667 5.5445865 229464.45 2 4
|
|
57056 481.95031 -3217.9192 0.41736767 16101.867 0.12195827 412 411 5.9965398 0.19564989 0.00026289961 2.332667 5.5445865 229464.45 2 4
|
|
Loop time of 0.0195522 on 4 procs for 56 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
57000 481.95031 -3199.5907 0.41736767 16101.867 0.12195827 412 411 5.9965398 0.19584211 0.00026315789 2.332667 5.5445865 229464.45 2 4
|
|
58000 525.04435 -3200.0547 0.0014425542 1.034047 0.29956692 551 256 5.9965398 0.19605172 0.00025862069 2.332667 5.5445865 234898.73 2 4
|
|
Loop time of 0.149326 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
58000 525.04435 -3200.0547 0.0014425542 1.034047 0.29956692 551 256 5.9965398 0.19605172 0.00025862069 2.332667 5.5445865 234898.73 2 4
|
|
58058 525.04435 -3217.9192 0.0014425542 1.034047 0.29956692 551 256 5.9965398 0.19585587 0.00025836233 2.332667 5.5445865 234898.73 2 4
|
|
Loop time of 0.0206398 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
58000 525.04435 -3200.0547 0.0014425542 1.034047 0.29956692 551 256 5.9965398 0.19605172 0.00025862069 2.332667 5.5445865 234898.73 2 4
|
|
59000 481.80944 -3197.6876 0.037642135 2.3956071 0.28848642 132 143 5.9965398 0.19559322 0.00025423729 2.332667 5.5445865 238986.94 2 4
|
|
Loop time of 0.14619 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
59000 481.80944 -3197.6876 0.037642135 2.3956071 0.28848642 132 143 5.9965398 0.19559322 0.00025423729 2.332667 5.5445865 238986.94 2 4
|
|
59052 481.80944 -3217.9192 0.037642135 2.3956071 0.28848642 132 143 5.9965398 0.19542098 0.00025401341 2.332667 5.5445865 238986.94 2 4
|
|
Loop time of 0.0187398 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
59000 481.80944 -3197.6876 0.037642135 2.3956071 0.28848642 132 143 5.9965398 0.19559322 0.00025423729 2.332667 5.5445865 238986.94 2 4
|
|
60000 486.86094 -3197.1192 0.16900791 50.526918 0.24408723 283 284 5.9965398 0.19436667 0.00025 2.332667 5.5445865 242682.27 2 4
|
|
Loop time of 0.148527 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
60000 486.86094 -3197.1192 0.16900791 50.526918 0.24408723 283 284 5.9965398 0.19436667 0.00025 2.332667 5.5445865 242682.27 2 4
|
|
60053 486.86094 -3217.9192 0.16900791 50.526918 0.24408723 283 284 5.9965398 0.19419513 0.00024977936 2.332667 5.5445865 242682.27 2 4
|
|
Loop time of 0.0185421 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
60000 486.86094 -3197.1192 0.16900791 50.526918 0.24408723 283 284 5.9965398 0.19436667 0.00025 2.332667 5.5445865 242682.27 2 4
|
|
61000 506.68298 -3198.7212 0.086903353 7.5152988 0.27268553 432 547 5.9965398 0.19522951 0.00024590164 2.332667 5.5445865 245274.71 2 4
|
|
Loop time of 0.146228 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
61000 506.68298 -3198.7212 0.086903353 7.5152988 0.27268553 432 547 5.9965398 0.19522951 0.00024590164 2.332667 5.5445865 245274.71 2 4
|
|
61053 506.68298 -3217.9192 0.086903353 7.5152988 0.27268553 432 547 5.9965398 0.19506003 0.00024568817 2.332667 5.5445865 245274.71 2 4
|
|
Loop time of 0.0195987 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
61000 506.68298 -3198.7212 0.086903353 7.5152988 0.27268553 432 547 5.9965398 0.19522951 0.00024590164 2.332667 5.5445865 245274.71 2 4
|
|
62000 505.72288 -3199.108 0 1 0.31500636 551 548 5.9965398 0.1965 0.00024193548 2.332667 5.5445865 246486.72 2 4
|
|
Loop time of 0.148492 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
62000 505.72288 -3199.108 0 1 0.31500636 551 548 5.9965398 0.1965 0.00024193548 2.332667 5.5445865 246486.72 2 4
|
|
62055 505.72288 -3217.9192 0 1 0.31500636 551 548 5.9965398 0.19632584 0.00024172105 2.332667 5.5445865 246486.72 2 4
|
|
Loop time of 0.020478 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
62000 505.72288 -3199.108 0 1 0.31500636 551 548 5.9965398 0.1965 0.00024193548 2.332667 5.5445865 246486.72 2 4
|
|
63000 512.7617 -3199.9408 0.11525868 14.512929 0.26316048 551 548 5.9965398 0.198 0.00023809524 2.332667 5.5445865 246977.1 2 4
|
|
Loop time of 0.146232 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
63000 512.7617 -3199.9408 0.11525868 14.512929 0.26316048 551 548 5.9965398 0.198 0.00023809524 2.332667 5.5445865 246977.1 2 4
|
|
63061 512.7617 -3217.9192 0.11525868 14.512929 0.26316048 551 548 5.9965398 0.19780847 0.00023786492 2.332667 5.5445865 246977.1 2 4
|
|
Loop time of 0.0210125 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
63000 512.7617 -3199.9408 0.11525868 14.512929 0.26316048 551 548 5.9965398 0.198 0.00023809524 2.332667 5.5445865 246977.1 2 4
|
|
64000 486.25689 -3198.5189 0.35129177 3474.2507 0.16360771 544 555 5.9965398 0.1988125 0.001109375 2.332667 5.5445865 249201.34 2 4
|
|
Loop time of 0.155832 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
64000 486.25689 -3198.5189 0.35129177 3474.2507 0.16360771 544 555 5.9965398 0.1988125 0.001109375 2.332667 5.5445865 249201.34 2 4
|
|
64053 486.25689 -3217.9192 0.35129177 3474.2507 0.16360771 544 555 5.9965398 0.19864799 0.0011084571 2.332667 5.5445865 249201.34 2 4
|
|
Loop time of 0.0204544 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
64000 486.25689 -3198.5189 0.35129177 3474.2507 0.16360771 544 555 5.9965398 0.1988125 0.001109375 2.332667 5.5445865 249201.34 2 4
|
|
65000 548.53783 -3200.1855 0.047969556 3.0444672 0.28524635 551 548 5.9965398 0.19770769 0.0010923077 2.332667 5.5445865 254327.62 2 4
|
|
Loop time of 0.14987 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
65000 548.53783 -3200.1855 0.047969556 3.0444672 0.28524635 551 548 5.9965398 0.19770769 0.0010923077 2.332667 5.5445865 254327.62 2 4
|
|
65061 548.53783 -3217.9192 0.047969556 3.0444672 0.28524635 551 548 5.9965398 0.19752233 0.0010912836 2.332667 5.5445865 254327.62 2 4
|
|
Loop time of 0.0217812 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
65000 548.53783 -3200.1855 0.047969556 3.0444672 0.28524635 551 548 5.9965398 0.19770769 0.0010923077 2.332667 5.5445865 254327.62 2 4
|
|
66000 530.28774 -3198.7237 0.35744103 4007.2176 0.16018931 402 403 5.9965398 0.20060606 0.0010757576 2.332667 5.5445865 255407.47 2 4
|
|
Loop time of 0.147202 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
66000 530.28774 -3198.7237 0.35744103 4007.2176 0.16018931 402 403 5.9965398 0.20060606 0.0010757576 2.332667 5.5445865 255407.47 2 4
|
|
66058 530.28774 -3217.9192 0.35744103 4007.2176 0.16018931 402 403 5.9965398 0.20042993 0.001074813 2.332667 5.5445865 255407.47 2 4
|
|
Loop time of 0.0205493 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
66000 530.28774 -3198.7237 0.35744103 4007.2176 0.16018931 402 403 5.9965398 0.20060606 0.0010757576 2.332667 5.5445865 255407.47 2 4
|
|
67000 514.44507 -3197.2465 0.33994158 2669.6633 0.1697366 79 117 5.9965398 0.19949254 0.0010597015 2.332667 5.5445865 258118.06 2 4
|
|
Loop time of 0.146892 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
67000 514.44507 -3197.2465 0.33994158 2669.6633 0.1697366 79 117 5.9965398 0.19949254 0.0010597015 2.332667 5.5445865 258118.06 2 4
|
|
67053 514.44507 -3217.9192 0.33994158 2669.6633 0.1697366 79 117 5.9965398 0.19933485 0.0010588639 2.332667 5.5445865 258118.06 2 4
|
|
Loop time of 0.0191221 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
67000 514.44507 -3197.2465 0.33994158 2669.6633 0.1697366 79 117 5.9965398 0.19949254 0.0010597015 2.332667 5.5445865 258118.06 2 4
|
|
68000 494.25025 -3198.3063 0.3603828 4290.3691 0.1585279 73 76 5.9965398 0.198 0.0010441176 2.332667 5.5445865 261601.61 2 4
|
|
Loop time of 0.146714 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
68000 494.25025 -3198.3063 0.3603828 4290.3691 0.1585279 73 76 5.9965398 0.198 0.0010441176 2.332667 5.5445865 261601.61 2 4
|
|
68051 494.25025 -3217.9192 0.3603828 4290.3691 0.1585279 73 76 5.9965398 0.19785161 0.0010433351 2.332667 5.5445865 261601.61 2 4
|
|
Loop time of 0.0185863 on 4 procs for 51 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
68000 494.25025 -3198.3063 0.3603828 4290.3691 0.1585279 73 76 5.9965398 0.198 0.0010441176 2.332667 5.5445865 261601.61 2 4
|
|
69000 477.30539 -3197.981 0.24885139 322.336 0.21261879 570 572 5.9965398 0.1974058 0.0011449275 2.332667 5.5445865 269691.31 2 4
|
|
Loop time of 0.146795 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
69000 477.30539 -3197.981 0.24885139 322.336 0.21261879 570 572 5.9965398 0.1974058 0.0011449275 2.332667 5.5445865 269691.31 2 4
|
|
69054 477.30539 -3217.9192 0.24885139 322.336 0.21261879 570 572 5.9965398 0.19725143 0.0011440322 2.332667 5.5445865 269691.31 2 4
|
|
Loop time of 0.0192543 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
69000 477.30539 -3197.981 0.24885139 322.336 0.21261879 570 572 5.9965398 0.1974058 0.0011449275 2.332667 5.5445865 269691.31 2 4
|
|
70000 494.06575 -3200.0312 0.16385959 44.836337 0.2459782 563 256 5.9965398 0.19577143 0.0011285714 2.332667 5.5445865 277199.96 2 4
|
|
Loop time of 0.147705 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
70000 494.06575 -3200.0312 0.16385959 44.836337 0.2459782 563 256 5.9965398 0.19577143 0.0011285714 2.332667 5.5445865 277199.96 2 4
|
|
70054 494.06575 -3217.9192 0.16385959 44.836337 0.2459782 563 256 5.9965398 0.19562052 0.0011277015 2.332667 5.5445865 277199.96 2 4
|
|
Loop time of 0.0190155 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
70000 494.06575 -3200.0312 0.16385959 44.836337 0.2459782 563 256 5.9965398 0.19577143 0.0011285714 2.332667 5.5445865 277199.96 2 4
|
|
71000 521.52358 -3198.0632 0.14648679 29.958507 0.25225459 563 256 5.9965398 0.19690141 0.0011126761 2.332667 5.5445865 277540.94 2 4
|
|
Loop time of 0.146516 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
71000 521.52358 -3198.0632 0.14648679 29.958507 0.25225459 563 256 5.9965398 0.19690141 0.0011126761 2.332667 5.5445865 277540.94 2 4
|
|
71054 521.52358 -3217.9192 0.14648679 29.958507 0.25225459 563 256 5.9965398 0.19675177 0.0011118304 2.332667 5.5445865 277540.94 2 4
|
|
Loop time of 0.0187534 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
71000 521.52358 -3198.0632 0.14648679 29.958507 0.25225459 563 256 5.9965398 0.19690141 0.0011126761 2.332667 5.5445865 277540.94 2 4
|
|
72000 477.57283 -3199.7245 0 1 0.30404328 563 256 5.9965398 0.19827778 0.0013333333 2.332667 5.5445865 280791.76 2 4
|
|
Loop time of 0.146056 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
72000 477.57283 -3199.7245 0 1 0.30404328 563 256 5.9965398 0.19827778 0.0013333333 2.332667 5.5445865 280791.76 2 4
|
|
72053 477.57283 -3217.9192 0 1 0.30404328 563 256 5.9965398 0.19813193 0.0013323526 2.332667 5.5445865 280791.76 2 4
|
|
Loop time of 0.0185455 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
72000 477.57283 -3199.7245 0 1 0.30404328 563 256 5.9965398 0.19827778 0.0013333333 2.332667 5.5445865 280791.76 2 4
|
|
73000 491.49087 -3198.3904 0.19822154 99.536632 0.23306678 89 87 5.9965398 0.19736986 0.0013150685 2.332667 5.5445865 287754.81 2 4
|
|
Loop time of 0.147198 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
73000 491.49087 -3198.3904 0.19822154 99.536632 0.23306678 89 87 5.9965398 0.19736986 0.0013150685 2.332667 5.5445865 287754.81 2 4
|
|
73053 491.49087 -3217.9192 0.19822154 99.536632 0.23306678 89 87 5.9965398 0.19722667 0.0013141144 2.332667 5.5445865 287754.81 2 4
|
|
Loop time of 0.0186561 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
73000 491.49087 -3198.3904 0.19822154 99.536632 0.23306678 89 87 5.9965398 0.19736986 0.0013150685 2.332667 5.5445865 287754.81 2 4
|
|
74000 492.96166 -3196.9654 0.18723782 77.138643 0.2372703 548 563 5.9965398 0.19921622 0.0012972973 2.332667 5.5445865 289420.74 2 4
|
|
Loop time of 0.147452 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
74000 492.96166 -3196.9654 0.18723782 77.138643 0.2372703 548 563 5.9965398 0.19921622 0.0012972973 2.332667 5.5445865 289420.74 2 4
|
|
74061 492.96166 -3217.9192 0.18723782 77.138643 0.2372703 548 563 5.9965398 0.19905213 0.0012962288 2.332667 5.5445865 289420.74 2 4
|
|
Loop time of 0.0211116 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
74000 492.96166 -3196.9654 0.18723782 77.138643 0.2372703 548 563 5.9965398 0.19921622 0.0012972973 2.332667 5.5445865 289420.74 2 4
|
|
75000 529.20732 -3198.9061 0.05344088 3.4566846 0.2835148 116 123 5.9965398 0.19838667 0.00128 2.332667 5.5445865 293504.18 2 4
|
|
Loop time of 0.147695 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
75000 529.20732 -3198.9061 0.05344088 3.4566846 0.2835148 116 123 5.9965398 0.19838667 0.00128 2.332667 5.5445865 293504.18 2 4
|
|
75063 529.20732 -3217.9192 0.05344088 3.4566846 0.2835148 116 123 5.9965398 0.19822016 0.0012789257 2.332667 5.5445865 293504.18 2 4
|
|
Loop time of 0.0224035 on 4 procs for 63 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
75000 529.20732 -3198.9061 0.05344088 3.4566846 0.2835148 116 123 5.9965398 0.19838667 0.00128 2.332667 5.5445865 293504.18 2 4
|
|
76000 498.66616 -3197.8484 0.083711316 6.978659 0.27373703 548 563 5.9965398 0.19861842 0.0012631579 2.332667 5.5445865 297498.83 2 4
|
|
Loop time of 0.151858 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
76000 498.66616 -3197.8484 0.083711316 6.978659 0.27373703 548 563 5.9965398 0.19861842 0.0012631579 2.332667 5.5445865 297498.83 2 4
|
|
76054 498.66616 -3217.9192 0.083711316 6.978659 0.27373703 548 563 5.9965398 0.1984774 0.001262261 2.332667 5.5445865 297498.83 2 4
|
|
Loop time of 0.0206581 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
76000 498.66616 -3197.8484 0.083711316 6.978659 0.27373703 548 563 5.9965398 0.19861842 0.0012631579 2.332667 5.5445865 297498.83 2 4
|
|
77000 486.32916 -3197.1136 0.058197108 3.8601161 0.28200092 277 280 5.9965398 0.19701299 0.0012467532 2.332667 5.5445865 302372 2 4
|
|
Loop time of 0.178096 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
77000 486.32916 -3197.1136 0.058197108 3.8601161 0.28200092 277 280 5.9965398 0.19701299 0.0012467532 2.332667 5.5445865 302372 2 4
|
|
77055 486.32916 -3217.9192 0.058197108 3.8601161 0.28200092 277 280 5.9965398 0.19687236 0.0012458633 2.332667 5.5445865 302372 2 4
|
|
Loop time of 0.0196412 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
77000 486.32916 -3197.1136 0.058197108 3.8601161 0.28200092 277 280 5.9965398 0.19701299 0.0012467532 2.332667 5.5445865 302372 2 4
|
|
78000 505.40944 -3199.8936 0.093303231 8.7187478 0.270565 88 121 5.9965398 0.19614103 0.0012307692 2.332667 5.5445865 305826.62 2 4
|
|
Loop time of 0.15925 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
78000 505.40944 -3199.8936 0.093303231 8.7187478 0.270565 88 121 5.9965398 0.19614103 0.0012307692 2.332667 5.5445865 305826.62 2 4
|
|
78057 505.40944 -3217.9192 0.093303231 8.7187478 0.270565 88 121 5.9965398 0.1959978 0.0012298705 2.332667 5.5445865 305826.62 2 4
|
|
Loop time of 0.0351628 on 4 procs for 57 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
78000 505.40944 -3199.8936 0.093303231 8.7187478 0.270565 88 121 5.9965398 0.19614103 0.0012307692 2.332667 5.5445865 305826.62 2 4
|
|
79000 526.28218 -3198.7939 0.010254625 1.2687088 0.29690768 543 544 5.9965398 0.19472152 0.0012151899 2.332667 5.5445865 309786.25 2 4
|
|
Loop time of 0.248652 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
79000 526.28218 -3198.7939 0.010254625 1.2687088 0.29690768 543 544 5.9965398 0.19472152 0.0012151899 2.332667 5.5445865 309786.25 2 4
|
|
79061 526.28218 -3217.9192 0.010254625 1.2687088 0.29690768 543 544 5.9965398 0.19457128 0.0012142523 2.332667 5.5445865 309786.25 2 4
|
|
Loop time of 0.0293576 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
79000 526.28218 -3198.7939 0.010254625 1.2687088 0.29690768 543 544 5.9965398 0.19472152 0.0012151899 2.332667 5.5445865 309786.25 2 4
|
|
80000 513.93228 -3198.9101 0.28635286 769.67342 0.19610325 120 127 5.9965398 0.1928875 0.0012 2.332667 5.5445865 318100.87 2 4
|
|
Loop time of 0.188747 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
80000 513.93228 -3198.9101 0.28635286 769.67342 0.19610325 120 127 5.9965398 0.1928875 0.0012 2.332667 5.5445865 318100.87 2 4
|
|
80051 513.93228 -3217.9192 0.28635286 769.67342 0.19610325 120 127 5.9965398 0.19276461 0.0011992355 2.332667 5.5445865 318100.87 2 4
|
|
Loop time of 0.0326888 on 4 procs for 51 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
80000 513.93228 -3198.9101 0.28635286 769.67342 0.19610325 120 127 5.9965398 0.1928875 0.0012 2.332667 5.5445865 318100.87 2 4
|
|
81000 472.77787 -3200.6856 0 1 0.30460187 563 256 5.9965398 0.19223457 0.0011851852 2.332667 5.5445865 322608.51 2 4
|
|
Loop time of 0.276107 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
81000 472.77787 -3200.6856 0 1 0.30460187 563 256 5.9965398 0.19223457 0.0011851852 2.332667 5.5445865 322608.51 2 4
|
|
81055 472.77787 -3217.9192 0 1 0.30460187 563 256 5.9965398 0.19210413 0.001184381 2.332667 5.5445865 322608.51 2 4
|
|
Loop time of 0.0217792 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
81000 472.77787 -3200.6856 0 1 0.30460187 563 256 5.9965398 0.19223457 0.0011851852 2.332667 5.5445865 322608.51 2 4
|
|
82000 487.68015 -3197.7729 0.1267439 18.946144 0.25920281 562 575 5.9965398 0.19207317 0.0011707317 2.332667 5.5445865 328159.62 2 4
|
|
Loop time of 0.192733 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
82000 487.68015 -3197.7729 0.1267439 18.946144 0.25920281 562 575 5.9965398 0.19207317 0.0011707317 2.332667 5.5445865 328159.62 2 4
|
|
82066 487.68015 -3217.9192 0.1267439 18.946144 0.25920281 562 575 5.9965398 0.1919187 0.0011697902 2.332667 5.5445865 328159.62 2 4
|
|
Loop time of 0.0283784 on 4 procs for 66 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
82000 487.68015 -3197.7729 0.1267439 18.946144 0.25920281 562 575 5.9965398 0.19207317 0.0011707317 2.332667 5.5445865 328159.62 2 4
|
|
83000 475.5591 -3197.0536 0.050428691 3.2232817 0.28446939 410 416 5.9965398 0.1906988 0.001253012 2.332667 5.5445865 333013.8 2 4
|
|
Loop time of 0.168478 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
83000 475.5591 -3197.0536 0.050428691 3.2232817 0.28446939 410 416 5.9965398 0.1906988 0.001253012 2.332667 5.5445865 333013.8 2 4
|
|
83053 475.5591 -3217.9192 0.050428691 3.2232817 0.28446939 410 416 5.9965398 0.1905771 0.0012522124 2.332667 5.5445865 333013.8 2 4
|
|
Loop time of 0.0209876 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
83000 475.5591 -3197.0536 0.050428691 3.2232817 0.28446939 410 416 5.9965398 0.1906988 0.001253012 2.332667 5.5445865 333013.8 2 4
|
|
84000 521.96002 -3198.5655 0.30743246 1255.3918 0.18617776 274 276 5.9965398 0.18882143 0.0012380952 2.332667 5.5445865 339522.55 2 4
|
|
Loop time of 0.196029 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
84000 521.96002 -3198.5655 0.30743246 1255.3918 0.18617776 274 276 5.9965398 0.18882143 0.0012380952 2.332667 5.5445865 339522.55 2 4
|
|
84055 521.96002 -3217.9192 0.30743246 1255.3918 0.18617776 274 276 5.9965398 0.18869788 0.0012372851 2.332667 5.5445865 339522.55 2 4
|
|
Loop time of 0.0294663 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
84000 521.96002 -3198.5655 0.30743246 1255.3918 0.18617776 274 276 5.9965398 0.18882143 0.0012380952 2.332667 5.5445865 339522.55 2 4
|
|
85000 512.56855 -3199.3238 0.31996602 1679.2366 0.18001699 110 116 5.9965398 0.18802353 0.0012470588 2.332667 5.5445865 343955.55 2 4
|
|
Loop time of 0.253235 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
85000 512.56855 -3199.3238 0.31996602 1679.2366 0.18001699 110 116 5.9965398 0.18802353 0.0012470588 2.332667 5.5445865 343955.55 2 4
|
|
85058 512.56855 -3217.9192 0.31996602 1679.2366 0.18001699 110 116 5.9965398 0.18789532 0.0012462085 2.332667 5.5445865 343955.55 2 4
|
|
Loop time of 0.0273268 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
85000 512.56855 -3199.3238 0.31996602 1679.2366 0.18001699 110 116 5.9965398 0.18802353 0.0012470588 2.332667 5.5445865 343955.55 2 4
|
|
86000 502.24946 -3198.3217 0.28404879 729.59623 0.19715785 569 560 5.9965398 0.18894186 0.0012325581 2.332667 5.5445865 345831.54 2 4
|
|
Loop time of 0.227089 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
86000 502.24946 -3198.3217 0.28404879 729.59623 0.19715785 569 560 5.9965398 0.18894186 0.0012325581 2.332667 5.5445865 345831.54 2 4
|
|
86064 502.24946 -3217.9192 0.28404879 729.59623 0.19715785 569 560 5.9965398 0.18880136 0.0012316416 2.332667 5.5445865 345831.54 2 4
|
|
Loop time of 0.0555945 on 4 procs for 64 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
86000 502.24946 -3198.3217 0.28404879 729.59623 0.19715785 569 560 5.9965398 0.18894186 0.0012325581 2.332667 5.5445865 345831.54 2 4
|
|
87000 533.23227 -3199.0076 0.38185976 7062.731 0.14582607 266 268 5.9965398 0.18741379 0.0012183908 2.332667 5.5445865 352138.83 2 4
|
|
Loop time of 0.200219 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
87000 533.23227 -3199.0076 0.38185976 7062.731 0.14582607 266 268 5.9965398 0.18741379 0.0012183908 2.332667 5.5445865 352138.83 2 4
|
|
87051 533.23227 -3217.9192 0.38185976 7062.731 0.14582607 266 268 5.9965398 0.18730399 0.001217677 2.332667 5.5445865 352138.83 2 4
|
|
Loop time of 0.0225247 on 4 procs for 51 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
87000 533.23227 -3199.0076 0.38185976 7062.731 0.14582607 266 268 5.9965398 0.18741379 0.0012183908 2.332667 5.5445865 352138.83 2 4
|
|
88000 500.37277 -3198.2649 0.11994657 16.181057 0.26155232 121 419 5.9965398 0.18643182 0.0012045455 2.332667 5.5445865 360427.01 2 4
|
|
Loop time of 0.160607 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
88000 500.37277 -3198.2649 0.11994657 16.181057 0.26155232 121 419 5.9965398 0.18643182 0.0012045455 2.332667 5.5445865 360427.01 2 4
|
|
88052 500.37277 -3217.9192 0.11994657 16.181057 0.26155232 121 419 5.9965398 0.18632172 0.0012038341 2.332667 5.5445865 360427.01 2 4
|
|
Loop time of 0.0185262 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
88000 500.37277 -3198.2649 0.11994657 16.181057 0.26155232 121 419 5.9965398 0.18643182 0.0012045455 2.332667 5.5445865 360427.01 2 4
|
|
89000 510.3713 -3198.1715 0.079294834 6.2987714 0.27518526 124 135 5.9965398 0.1861236 0.0011910112 2.332667 5.5445865 368061.42 2 4
|
|
Loop time of 0.157259 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
89000 510.3713 -3198.1715 0.079294834 6.2987714 0.27518526 124 135 5.9965398 0.1861236 0.0011910112 2.332667 5.5445865 368061.42 2 4
|
|
89059 510.3713 -3217.9192 0.079294834 6.2987714 0.27518526 124 135 5.9965398 0.18600029 0.0011902222 2.332667 5.5445865 368061.42 2 4
|
|
Loop time of 0.0206097 on 4 procs for 59 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
89000 510.3713 -3198.1715 0.079294834 6.2987714 0.27518526 124 135 5.9965398 0.1861236 0.0011910112 2.332667 5.5445865 368061.42 2 4
|
|
90000 445.05079 -3197.1115 0.03145569 2.0751956 0.29041001 287 288 5.9965398 0.18517778 0.0011777778 2.332667 5.5445865 374425.2 2 4
|
|
Loop time of 0.149199 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
90000 445.05079 -3197.1115 0.03145569 2.0751956 0.29041001 287 288 5.9965398 0.18517778 0.0011777778 2.332667 5.5445865 374425.2 2 4
|
|
90054 445.05079 -3217.9192 0.03145569 2.0751956 0.29041001 287 288 5.9965398 0.18506674 0.0011770715 2.332667 5.5445865 374425.2 2 4
|
|
Loop time of 0.0193175 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
90000 445.05079 -3197.1115 0.03145569 2.0751956 0.29041001 287 288 5.9965398 0.18517778 0.0011777778 2.332667 5.5445865 374425.2 2 4
|
|
91000 471.80198 -3197.5975 0.18766746 77.911686 0.23710727 551 256 5.9965398 0.18674725 0.0011648352 2.332667 5.5445865 374977.4 2 4
|
|
Loop time of 0.147735 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
91000 471.80198 -3197.5975 0.18766746 77.911686 0.23710727 551 256 5.9965398 0.18674725 0.0011648352 2.332667 5.5445865 374977.4 2 4
|
|
91054 471.80198 -3217.9192 0.18766746 77.911686 0.23710727 551 256 5.9965398 0.1866365 0.0011641444 2.332667 5.5445865 374977.4 2 4
|
|
Loop time of 0.0194244 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
91000 471.80198 -3197.5975 0.18766746 77.911686 0.23710727 551 256 5.9965398 0.18674725 0.0011648352 2.332667 5.5445865 374977.4 2 4
|
|
92000 482.89055 -3197.7684 0 1 0.90550005 550 256 5.9965398 0.19525 0.0011521739 2.332667 5.5445865 374983.58 2 4
|
|
Loop time of 0.16266 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
92000 482.89055 -3197.7684 0 1 0.90550005 550 256 5.9965398 0.19525 0.0011521739 2.332667 5.5445865 374983.58 2 4
|
|
92053 482.89055 -3217.9192 0 1 0.90550005 550 256 5.9965398 0.19513758 0.0011515105 2.332667 5.5445865 374983.58 2 4
|
|
Loop time of 0.0194454 on 4 procs for 53 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
92000 482.89055 -3197.7684 0.37282949 5727.3228 0.1512967 126 128 5.9965398 0.19525 0.0011521739 2.332667 5.5445865 374983.58 3 6
|
|
93000 518.34364 -3197.7169 0.33208414 2224.6263 0.17385297 404 415 5.9965398 0.19386022 0.0011397849 2.332667 5.5445865 379383.21 3 6
|
|
Loop time of 0.14771 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
93000 518.34364 -3197.7169 0.33208414 2224.6263 0.17385297 404 415 5.9965398 0.19386022 0.0011397849 2.332667 5.5445865 379383.21 3 6
|
|
93052 518.34364 -3217.9192 0.33208414 2224.6263 0.17385297 404 415 5.9965398 0.19375188 0.001139148 2.332667 5.5445865 379383.21 3 6
|
|
Loop time of 0.0189104 on 4 procs for 52 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
93000 518.34364 -3197.7169 0.33208414 2224.6263 0.17385297 404 415 5.9965398 0.19386022 0.0011397849 2.332667 5.5445865 379383.21 3 6
|
|
94000 485.54152 -3199.6114 0.33161662 2200.6179 0.17409483 254 255 5.9965398 0.19275532 0.0011276596 2.332667 5.5445865 386607.7 3 6
|
|
Loop time of 0.152505 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
94000 485.54152 -3199.6114 0.33161662 2200.6179 0.17409483 254 255 5.9965398 0.19275532 0.0011276596 2.332667 5.5445865 386607.7 3 6
|
|
94054 485.54152 -3217.9192 0.33161662 2200.6179 0.17409483 254 255 5.9965398 0.19264465 0.0011270121 2.332667 5.5445865 386607.7 3 6
|
|
Loop time of 0.0200894 on 4 procs for 54 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
94000 485.54152 -3199.6114 0.33161662 2200.6179 0.17409483 254 255 5.9965398 0.19275532 0.0011276596 2.332667 5.5445865 386607.7 3 6
|
|
95000 468.35272 -3199.3653 0.12708244 19.095595 0.25908524 255 260 5.9965398 0.19384211 0.0011157895 2.332667 5.5445865 388255.15 3 6
|
|
Loop time of 0.170403 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
95000 468.35272 -3199.3653 0.12708244 19.095595 0.25908524 255 260 5.9965398 0.19384211 0.0011157895 2.332667 5.5445865 388255.15 3 6
|
|
95058 468.35272 -3217.9192 0.12708244 19.095595 0.25908524 255 260 5.9965398 0.19372383 0.0011151087 2.332667 5.5445865 388255.15 3 6
|
|
Loop time of 0.0303804 on 4 procs for 58 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
95000 468.35272 -3199.3653 0.12708244 19.095595 0.25908524 255 260 5.9965398 0.19384211 0.0011157895 2.332667 5.5445865 388255.15 3 6
|
|
96000 489.04774 -3198.5653 0.20052634 105.00604 0.23217506 132 143 5.9965398 0.19276042 0.0012291667 2.332667 5.5445865 394084.75 3 6
|
|
Loop time of 0.243084 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
96000 489.04774 -3198.5653 0.20052634 105.00604 0.23217506 132 143 5.9965398 0.19276042 0.0012291667 2.332667 5.5445865 394084.75 3 6
|
|
96055 489.04774 -3217.9192 0.20052634 105.00604 0.23217506 132 143 5.9965398 0.19265004 0.0012284629 2.332667 5.5445865 394084.75 3 6
|
|
Loop time of 0.0209683 on 4 procs for 55 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
96000 489.04774 -3198.5653 0.20052634 105.00604 0.23217506 132 143 5.9965398 0.19276042 0.0012291667 2.332667 5.5445865 394084.75 3 6
|
|
97000 468.88641 -3198.7099 0.24800267 316.04874 0.21297774 138 139 5.9965398 0.19249485 0.0012268041 2.332667 5.5445865 399765.39 3 6
|
|
Loop time of 0.159347 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
97000 468.88641 -3198.7099 0.24800267 316.04874 0.21297774 138 139 5.9965398 0.19249485 0.0012268041 2.332667 5.5445865 399765.39 3 6
|
|
97061 468.88641 -3217.9192 0.24800267 316.04874 0.21297774 138 139 5.9965398 0.19237387 0.0012260331 2.332667 5.5445865 399765.39 3 6
|
|
Loop time of 0.0222729 on 4 procs for 61 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
97000 468.88641 -3198.7099 0.24800267 316.04874 0.21297774 138 139 5.9965398 0.19249485 0.0012268041 2.332667 5.5445865 399765.39 3 6
|
|
98000 511.90651 -3198.375 0.28991077 835.9276 0.19446352 575 280 5.9965398 0.19118367 0.0012142857 2.332667 5.5445865 405890.91 3 6
|
|
Loop time of 0.179737 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
98000 511.90651 -3198.375 0.28991077 835.9276 0.19446352 575 280 5.9965398 0.19118367 0.0012142857 2.332667 5.5445865 405890.91 3 6
|
|
98057 511.90651 -3217.9192 0.28991077 835.9276 0.19446352 575 280 5.9965398 0.19107254 0.0012135799 2.332667 5.5445865 405890.91 3 6
|
|
Loop time of 0.0226798 on 4 procs for 57 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
98000 511.90651 -3198.375 0.28991077 835.9276 0.19446352 575 280 5.9965398 0.19118367 0.0012142857 2.332667 5.5445865 405890.91 3 6
|
|
99000 515.7066 -3198.7898 0.029498662 1.9830474 0.29101588 267 260 5.9965398 0.19046465 0.0012020202 2.332667 5.5445865 410566.28 3 6
|
|
Loop time of 0.162221 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
99000 515.7066 -3198.7898 0.029498662 1.9830474 0.29101588 267 260 5.9965398 0.19046465 0.0012020202 2.332667 5.5445865 410566.28 3 6
|
|
99056 515.7066 -3217.9192 0.029498662 1.9830474 0.29101588 267 260 5.9965398 0.19035697 0.0012013407 2.332667 5.5445865 410566.28 3 6
|
|
Loop time of 0.029222 on 4 procs for 56 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
99000 515.7066 -3198.7898 0.029498662 1.9830474 0.29101588 267 260 5.9965398 0.19046465 0.0012020202 2.332667 5.5445865 410566.28 3 6
|
|
100000 470.91344 -3199.3671 0.38510929 7615.9914 0.14380656 217 515 5.9965398 0.19106 0.00119 2.332667 5.5445865 413625.31 3 6
|
|
Loop time of 0.200459 on 4 procs for 1000 steps with 577 atoms
|
|
|
|
Step Temp PotEng f_HG f_HG[1] f_HG[2] f_HG[3] f_HG[4] f_HG[5] f_HG[6] f_HG[7] f_HG[8] f_HG[9] f_HG[10] f_HG[11] f_HG[12]
|
|
100000 470.91344 -3199.3671 0.38510929 7615.9914 0.14380656 217 515 5.9965398 0.19106 0.00119 2.332667 5.5445865 413625.31 3 6
|
|
100051 470.91344 -3217.9192 0.38510929 7615.9914 0.14380656 217 515 5.9965398 0.19096261 0.0011893934 2.332667 5.5445865 413625.31 3 6
|
|
Loop time of 0.0181701 on 4 procs for 51 steps with 577 atoms
|
|
|
|
Final hyper stats ...
|
|
|
|
Cummulative quantities for fix hyper:
|
|
hyper time = 413625
|
|
time boost factor = 827.251
|
|
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 = 5.54459
|
|
max drift distance of any atom = 2.33267
|
|
fraction of biased bonds with zero bias = 0.19106
|
|
fraction of biased bonds with negative strain = 0.00119
|
|
Current quantities:
|
|
ave bonds/atom = 5.99654
|
|
|
|
Loop time of 18.1545 on 4 procs for 100000 steps with 577 atoms
|
|
|
|
Performance: 2379.577 ns/day, 0.010 hours/ns, 5508.280 timesteps/s
|
|
97.2% CPU use with 4 MPI tasks x 1 OpenMP threads
|
|
|
|
Hyper stats:
|
|
Dynamics time (%) = 15.7932 (86.9934)
|
|
Quench time (%) = 2.11457 (11.6476)
|
|
Other time (%) = 0.613371 (3.37862)
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 12.753 | 12.889 | 13.038 | 3.0 | 71.00
|
|
Neigh | 1.1332 | 1.1557 | 1.1781 | 1.5 | 6.37
|
|
Comm | 1.4019 | 1.4415 | 1.5107 | 3.5 | 7.94
|
|
Output | 0.0022557 | 0.0055519 | 0.015418 | 7.6 | 0.03
|
|
Modify | 1.9349 | 2.049 | 2.182 | 6.2 | 11.29
|
|
Other | | 0.6134 | | | 3.38
|
|
|
|
Nlocal: 144.25 ave 149 max 141 min
|
|
Histogram: 1 1 0 0 0 1 0 0 0 1
|
|
Nghost: 532.75 ave 536 max 528 min
|
|
Histogram: 1 0 0 0 0 1 0 0 1 1
|
|
Neighs: 3377.5 ave 3479 max 3296 min
|
|
Histogram: 1 0 0 1 1 0 0 0 0 1
|
|
|
|
Total # of neighbors = 13510
|
|
Ave neighs/atom = 23.4142
|
|
Neighbor list builds = 10038
|
|
Dangerous builds = 0
|
|
Total wall time: 0:00:18
|