update logfiles for balance examples (c4280885) · Commits · 郑智淋 / lammps

examples/balance/log.27Nov18.balance.bond.fast.g++.2

0 → 100644

+242 −0

Original line number	Diff line number	Diff line
		LAMMPS (27 Nov 2018)
		using 1 OpenMP thread(s) per MPI task
		# 2d circle of particles inside a box with LJ walls

		variable b index 0

		variable x index 50
		variable y index 20
		variable d index 20
		variable v index 5
		variable w index 2

		units lj
		dimension 2
		atom_style bond
		boundary f f p

		lattice hex 0.85
		Lattice spacing in x,y,z = 1.16553 2.01877 1.16553
		region box block 0 $x 0 $y -0.5 0.5
		region box block 0 50 0 $y -0.5 0.5
		region box block 0 50 0 20 -0.5 0.5
		create_box 1 box bond/types 1 extra/bond/per/atom 6
		Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
		2 by 1 by 1 MPI processor grid
		region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
		region circle sphere 11 $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
		region circle sphere 11 6.7735026918962581988 0.0 $(v_d/2)
		region circle sphere 11 6.7735026918962581988 0.0 10
		create_atoms 1 region circle
		Created 361 atoms
		Time spent = 0.000778913 secs
		mass 1 1.0

		velocity all create 0.5 87287 loop geom
		velocity all set $v $w 0 sum yes
		velocity all set 5 $w 0 sum yes
		velocity all set 5 2 0 sum yes

		pair_style lj/cut 2.5
		pair_coeff 1 1 10.0 1.0 2.5

		bond_style harmonic
		bond_coeff 1 10.0 1.2

		# need to preserve 1-3, 1-4 pairwise interactions during hard collisions

		special_bonds lj/coul 0 1 1
		0 = max # of 1-2 neighbors
		1 = max # of special neighbors
		create_bonds many all all 1 1.0 1.5
		Neighbor list info ...
		update every 1 steps, delay 10 steps, check yes
		max neighbors/atom: 2000, page size: 100000
		master list distance cutoff = 2.8
		ghost atom cutoff = 2.8
		binsize = 1.4, bins = 42 29 1
		2 neighbor lists, perpetual/occasional/extra = 1 1 0
		(1) command create_bonds, occasional
		attributes: full, newton on
		pair build: full/bin
		stencil: full/bin/2d
		bin: standard
		(2) pair lj/cut, perpetual
		attributes: half, newton on
		pair build: half/bin/newton
		stencil: half/bin/2d/newton
		bin: standard
		Added 1014 bonds, new total = 1014
		6 = max # of 1-2 neighbors
		6 = max # of special neighbors

		neighbor 0.3 bin
		neigh_modify delay 0 every 1 check yes

		fix 1 all nve

		fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
		fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi 50 1 1 2.5
		fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
		fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi 20 1 1 2.5

		comm_style tiled
		comm_modify cutoff 10.0 # because bonds stretch a long ways
		fix 10 all balance 50 0.9 rcb

		#compute 1 all property/atom proc
		#variable p atom (c_1%10)+1
		#dump 2 all custom 50 tmp.dump id v_p x y z

		#dump 3 all image 50 image.*.jpg v_p type bond atom 0.25 # adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
		#variable colors string # "red green blue yellow white # purple pink orange lime gray"
		#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}

		thermo_style custom step temp epair press f_10[3] f_10
		thermo 100

		run 10000
		Neighbor list info ...
		update every 1 steps, delay 0 steps, check yes
		max neighbors/atom: 2000, page size: 100000
		master list distance cutoff = 2.8
		ghost atom cutoff = 10
		binsize = 1.4, bins = 42 29 1
		1 neighbor lists, perpetual/occasional/extra = 1 0 0
		(1) pair lj/cut, perpetual
		attributes: half, newton on
		pair build: half/bin/newton
		stencil: half/bin/2d/newton
		bin: standard
		Per MPI rank memory allocation (min/avg/max) = 5.156 \| 5.167 \| 5.177 Mbytes
		Step Temp E_pair Press f_10[3] f_10
		0 25.701528 -2.2032569 3.1039469 2 1.0193906
		100 27.623422 -6.228166 2.6542136 1.0803324 1.0027701
		200 33.35302 -15.746749 3.2018248 1.1246537 1.0027701
		300 39.17734 -24.1557 4.9116986 1.1468144 1.0027701
		400 41.660701 -27.615203 8.6214678 1.2077562 1.0027701
		500 37.154935 -24.096954 3.2656298 1.2243767 1.0083102
		600 35.062196 -21.527799 2.3688444 1.1800554 1.0027701
		700 36.962955 -22.265373 3.0233424 1.1800554 1.0083102
		800 38.514356 -24.625735 5.2876402 1.2077562 1.0027701
		900 37.840168 -24.069158 4.443617 1.2022161 1.0083102
		1000 36.429396 -23.978878 7.2603394 1.1966759 1.0027701
		1100 34.75827 -22.743232 6.6304628 1.1745152 1.0083102
		1200 31.057199 -21.46544 3.7869701 1.1634349 1.0083102
		1300 33.127345 -22.426161 5.824726 1.0858726 1.0027701
		1400 31.678654 -21.604473 3.2219261 1.0360111 1.0083102
		1500 28.345212 -18.030807 0.93335223 1.1191136 1.0027701
		1600 26.031412 -15.389052 0.82549542 1.1080332 1.0027701
		1700 25.082832 -13.48625 1.0006592 1.0858726 1.0027701
		1800 25.673875 -13.965883 0.54607043 1.0692521 1.0027701
		1900 26.530842 -13.979318 2.0285449 1.1024931 1.0027701
		2000 25.910771 -14.244515 1.9592232 1.1191136 1.0027701
		2100 28.505636 -16.220559 1.7154775 1.1191136 1.0027701
		2200 28.142753 -15.564302 2.9946076 1.1135734 1.0027701
		2300 26.606225 -13.734442 1.4589278 1.0083102 1.0083102
		2400 25.664988 -12.389759 1.3450183 1.0360111 1.0027701
		2500 25.145328 -11.815173 0.48162788 1.0360111 1.0027701
		2600 26.654868 -13.916929 2.8361012 1.0581717 1.0083102
		2700 27.3758 -15.495452 4.1206412 1.0360111 1.0027701
		2800 23.60864 -14.520038 1.8948923 1.0193906 1.0027701
		2900 20.604557 -12.901121 0.17526991 1.0138504 1.0027701
		3000 20.852473 -12.756946 -0.44987285 1.0360111 1.0027701
		3100 21.934986 -12.797691 0.76186765 1.0415512 1.0027701
		3200 23.293263 -12.368233 0.021937309 1.0526316 1.0027701
		3300 22.091492 -10.88605 0.013006632 1.0415512 1.0083102
		3400 23.535429 -10.937804 2.0738989 1.0360111 1.0027701
		3500 24.503573 -12.202994 1.126785 1.0581717 1.0027701
		3600 23.54503 -12.745709 0.39022194 1.0858726 1.0027701
		3700 22.658187 -10.986188 -0.18869692 1.0692521 1.0027701
		3800 21.282045 -9.7879088 -0.061253454 1.0193906 1.0027701
		3900 20.571754 -9.1157993 -1.0178917 1.0526316 1.0027701
		4000 23.779702 -10.230328 1.0778525 1.0581717 1.0083102
		4100 23.675854 -10.63724 0.59402249 1.0415512 1.0027701
		4200 24.058963 -11.89505 0.3866378 1.0526316 1.0027701
		4300 22.683721 -11.358978 1.8269036 1.0470914 1.0083102
		4400 23.002345 -11.081443 0.4529456 1.0415512 1.0027701
		4500 21.984542 -10.233276 -0.60718244 1.0415512 1.0083102
		4600 22.079237 -9.979061 0.53013572 1.0415512 1.0027701
		4700 22.336961 -10.323583 -0.37512832 1.0249307 1.0027701
		4800 23.351699 -10.143724 0.95694397 1.0470914 1.0027701
		4900 23.643954 -10.687354 1.6062522 1.0858726 1.0083102
		5000 25.158132 -11.532398 1.3083639 1.0914127 1.0027701
		5100 23.755521 -10.978548 0.60587307 1.0470914 1.0027701
		5200 21.842692 -10.443216 -0.41185899 1.0637119 1.0027701
		5300 22.828066 -10.871114 1.1754353 1.0470914 1.0027701
		5400 24.883977 -12.39165 0.65101173 1.0470914 1.0027701
		5500 22.908286 -11.419431 1.4712698 1.0637119 1.0027701
		5600 22.718634 -12.083974 1.5706808 1.0526316 1.0027701
		5700 23.080763 -11.464882 1.2979578 1.0304709 1.0083102
		5800 21.877026 -11.483185 0.279772 1.0360111 1.0027701
		5900 22.526809 -10.868636 0.37121786 1.0637119 1.0083102
		6000 22.908857 -10.311118 0.58244569 1.0526316 1.0083102
		6100 22.399847 -10.222706 0.87875674 1.0858726 1.0027701
		6200 22.623463 -10.035541 -0.25811274 1.0304709 1.0027701
		6300 21.518006 -10.017552 -0.98187611 1.0470914 1.0083102
		6400 21.269816 -11.297716 0.20058535 1.0138504 1.0027701
		6500 23.362834 -11.263306 0.47670072 1.0692521 1.0027701
		6600 23.705236 -12.358492 -0.63286237 1.0027701 1.0027701
		6700 22.410623 -10.849516 0.57027834 1.0581717 1.0083102
		6800 21.661639 -9.3981379 0.38726515 1.0470914 1.0027701
		6900 21.856521 -8.8451751 0.053822789 1.0304709 1.0027701
		7000 21.069495 -8.6443387 -0.10412144 1.0193906 1.0027701
		7100 22.305494 -10.098469 -0.22662961 1.0581717 1.0027701
		7200 23.52884 -11.055929 -0.099869868 1.0692521 1.0027701
		7300 24.042008 -11.411758 2.0528788 1.0415512 1.0027701
		7400 22.870777 -12.408763 0.33346225 1.0249307 1.0027701
		7500 21.290152 -10.963058 0.26940112 1.0083102 1.0027701
		7600 21.702686 -10.36214 0.84057004 1.0083102 1.0027701
		7700 22.478034 -10.832724 -0.70855164 1.0747922 1.0027701
		7800 22.856853 -11.161008 -0.88354803 1.0083102 1.0083102
		7900 22.579842 -10.789899 0.40865274 1.0360111 1.0027701
		8000 24.364281 -12.116023 -0.44788445 1.0249307 1.0083102
		8100 22.993409 -10.261331 0.44712215 1.0193906 1.0027701
		8200 23.006207 -10.723372 1.2357091 1.0415512 1.0083102
		8300 23.292233 -10.041314 2.143692 1.0581717 1.0027701
		8400 21.658087 -10.089378 -0.25838681 1.0083102 1.0027701
		8500 23.268456 -10.356603 0.089787317 1.0526316 1.0083102
		8600 22.572019 -10.32801 0.12320758 1.0526316 1.0027701
		8700 22.970465 -10.662456 0.57027398 1.0581717 1.0083102
		8800 23.515552 -10.415842 1.0048598 1.0138504 1.0083102
		8900 22.733961 -10.343495 0.19917627 1.0360111 1.0083102
		9000 21.835458 -9.8740971 -1.0653164 1.0193906 1.0027701
		9100 22.062821 -9.2303832 0.21428267 1.0415512 1.0083102
		9200 23.020404 -10.321542 -0.48757848 1.0193906 1.0083102
		9300 22.529362 -9.2916938 0.57056277 1.0415512 1.0027701
		9400 23.301911 -10.538876 0.80637627 1.0138504 1.0027701
		9500 21.984286 -9.4754676 -0.19048233 1.0193906 1.0027701
		9600 23.710224 -10.274983 0.72268146 1.0249307 1.0027701
		9700 22.317038 -9.3509008 -0.45727658 1.0360111 1.0027701
		9800 23.41615 -10.026331 -0.45909049 1.0415512 1.0027701
		9900 22.130299 -11.18528 -0.15359132 1.0747922 1.0027701
		10000 23.273859 -11.337403 0.4036321 1.0304709 1.0083102
		Loop time of 1.18289 on 2 procs for 10000 steps with 361 atoms

		Performance: 3652073.393 tau/day, 8453.874 timesteps/s
		97.0% CPU use with 2 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 0.25191 \| 0.25685 \| 0.2618 \| 1.0 \| 21.71
		Bond \| 0.097655 \| 0.098332 \| 0.099009 \| 0.2 \| 8.31
		Neigh \| 0.53258 \| 0.53993 \| 0.54728 \| 1.0 \| 45.65
		Comm \| 0.13457 \| 0.15372 \| 0.17288 \| 4.9 \| 13.00
		Output \| 0.0013587 \| 0.0016007 \| 0.0018427 \| 0.6 \| 0.14
		Modify \| 0.074109 \| 0.074314 \| 0.074518 \| 0.1 \| 6.28
		Other \| \| 0.05813 \| \| \| 4.91

		Nlocal: 180.5 ave 182 max 179 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Nghost: 172.5 ave 175 max 170 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Neighs: 1421 ave 1488 max 1354 min
		Histogram: 1 0 0 0 0 0 0 0 0 1

		Total # of neighbors = 2842
		Ave neighs/atom = 7.87258
		Ave special neighs/atom = 5.61773
		Neighbor list builds = 4884
		Dangerous builds = 0
		Total wall time: 0:00:01

examples/balance/log.5Oct16.balance.bond.fast.g++.4→examples/balance/log.27Nov18.balance.bond.fast.g++.4

+242 −0

File changed and moved.

Preview size limit exceeded, changes collapsed.

examples/balance/log.27Nov18.balance.bond.slow.g++.2

0 → 100644

+541 −0

File added.

Preview size limit exceeded, changes collapsed.

examples/balance/log.5Oct16.balance.bond.slow.g++.4→examples/balance/log.27Nov18.balance.bond.slow.g++.4

+161 −144

File changed and moved.

Preview size limit exceeded, changes collapsed.

examples/balance/log.27Nov18.balance.clock.dynamic.g++.2

0 → 100644

+227 −0

Original line number	Diff line number	Diff line
		LAMMPS (27 Nov 2018)
		using 1 OpenMP thread(s) per MPI task
		# 3d Lennard-Jones melt

		units lj
		atom_style atomic
		processors * 1 1

		lattice fcc 0.8442
		Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
		region box block 0 10 0 10 0 10
		create_box 3 box
		Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
		2 by 1 by 1 MPI processor grid
		create_atoms 1 box
		Created 4000 atoms
		Time spent = 0.000549078 secs
		mass * 1.0

		region long block 3 6 0 10 0 10
		set region long type 2
		1400 settings made for type

		velocity all create 1.0 87287

		pair_style lj/cut 2.5
		pair_coeff * * 1.0 1.0 2.5
		pair_coeff * 2 1.0 1.0 5.0

		neighbor 0.3 bin
		neigh_modify every 2 delay 4 check yes
		fix p all property/atom d_WEIGHT
		compute p all property/atom d_WEIGHT
		fix 0 all balance 50 1.0 shift x 10 1.0 weight time 1.0 weight store WEIGHT
		variable maximb equal f_0[1]
		variable iter equal f_0[2]
		variable prev equal f_0[3]
		variable final equal f_0

		#fix 3 all print 50 "${iter} ${prev} ${final} ${maximb}"

		fix 1 all nve

		#dump id all atom 50 dump.melt
		#dump id all custom 50 dump.lammpstrj id type x y z c_p

		#dump 2 all image 25 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30
		#dump_modify 2 pad 3

		#dump 3 all movie 25 movie.mpg type type # axes yes 0.8 0.02 view 60 -30
		#dump_modify 3 pad 3

		thermo 50
		run 500
		Neighbor list info ...
		update every 2 steps, delay 4 steps, check yes
		max neighbors/atom: 2000, page size: 100000
		master list distance cutoff = 5.3
		ghost atom cutoff = 5.3
		binsize = 2.65, bins = 7 7 7
		1 neighbor lists, perpetual/occasional/extra = 1 0 0
		(1) pair lj/cut, perpetual
		attributes: half, newton on
		pair build: half/bin/atomonly/newton
		stencil: half/bin/3d/newton
		bin: standard
		Per MPI rank memory allocation (min/avg/max) = 4.562 \| 4.753 \| 4.944 Mbytes
		Step Temp E_pair E_mol TotEng Press Volume
		0 1 -6.9453205 0 -5.4456955 -5.6812358 4738.2137
		50 0.49578514 -6.1929216 0 -5.4494298 -1.6668039 4738.2137
		100 0.53275389 -6.2475932 0 -5.4486622 -1.9063885 4738.2137
		150 0.53316457 -6.2483202 0 -5.4487733 -1.9476162 4738.2137
		200 0.536665 -6.2530113 0 -5.448215 -1.933468 4738.2137
		250 0.55006273 -6.27163 0 -5.4467422 -2.0438847 4738.2137
		300 0.55111476 -6.2727642 0 -5.4462987 -2.0384873 4738.2137
		350 0.55211503 -6.274054 0 -5.4460885 -2.0116976 4738.2137
		400 0.54638463 -6.2661715 0 -5.4467995 -1.992248 4738.2137
		450 0.55885307 -6.2852263 0 -5.4471563 -2.0669747 4738.2137
		500 0.54587069 -6.2662849 0 -5.4476836 -2.0078802 4738.2137
		Loop time of 3.7099 on 2 procs for 500 steps with 4000 atoms

		Performance: 58222.644 tau/day, 134.775 timesteps/s
		99.2% CPU use with 2 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 2.5145 \| 2.5951 \| 2.6756 \| 5.0 \| 69.95
		Neigh \| 0.8388 \| 0.88634 \| 0.93387 \| 5.0 \| 23.89
		Comm \| 0.17027 \| 0.20258 \| 0.23489 \| 7.2 \| 5.46
		Output \| 0.00029612 \| 0.00032723 \| 0.00035834 \| 0.0 \| 0.01
		Modify \| 0.016136 \| 0.017057 \| 0.017979 \| 0.7 \| 0.46
		Other \| \| 0.008504 \| \| \| 0.23

		Nlocal: 2000 ave 2157 max 1843 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Nghost: 10465.5 ave 10840 max 10091 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Neighs: 298070 ave 305706 max 290433 min
		Histogram: 1 0 0 0 0 0 0 0 0 1

		Total # of neighbors = 596139
		Ave neighs/atom = 149.035
		Neighbor list builds = 51
		Dangerous builds = 0
		run 500
		Per MPI rank memory allocation (min/avg/max) = 4.944 \| 4.947 \| 4.951 Mbytes
		Step Temp E_pair E_mol TotEng Press Volume
		500 0.54587069 -6.2662849 0 -5.4476836 -2.0078802 4738.2137
		550 0.54137926 -6.2592773 0 -5.4474115 -1.9770236 4738.2137
		600 0.54022886 -6.2573307 0 -5.44719 -1.9619637 4738.2137
		650 0.54709009 -6.2678862 0 -5.4474562 -1.9958342 4738.2137
		700 0.54590044 -6.2656903 0 -5.4470444 -1.9957108 4738.2137
		750 0.55098488 -6.2724831 0 -5.4462124 -2.0287523 4738.2137
		800 0.5520987 -6.2739184 0 -5.4459774 -2.0084991 4738.2137
		850 0.54963958 -6.2702473 0 -5.445994 -1.9740031 4738.2137
		900 0.54390586 -6.2615476 0 -5.4458927 -1.9400871 4738.2137
		950 0.54741732 -6.2665755 0 -5.4456548 -1.9466417 4738.2137
		1000 0.54200867 -6.2591246 0 -5.4463148 -1.8881624 4738.2137
		Loop time of 3.70634 on 2 procs for 500 steps with 4000 atoms

		Performance: 58278.514 tau/day, 134.904 timesteps/s
		99.0% CPU use with 2 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 2.5536 \| 2.6173 \| 2.6811 \| 3.9 \| 70.62
		Neigh \| 0.82942 \| 0.88683 \| 0.94424 \| 6.1 \| 23.93
		Comm \| 0.16927 \| 0.17474 \| 0.1802 \| 1.3 \| 4.71
		Output \| 0.00030422 \| 0.00033307 \| 0.00036192 \| 0.0 \| 0.01
		Modify \| 0.016714 \| 0.017824 \| 0.018933 \| 0.8 \| 0.48
		Other \| \| 0.009277 \| \| \| 0.25

		Nlocal: 2000 ave 2136 max 1864 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Nghost: 10413.5 ave 10877 max 9950 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Neighs: 300836 ave 312313 max 289358 min
		Histogram: 1 0 0 0 0 0 0 0 0 1

		Total # of neighbors = 601671
		Ave neighs/atom = 150.418
		Neighbor list builds = 51
		Dangerous builds = 0
		fix 0 all balance 50 1.0 shift x 5 1.0 weight neigh 0.5 weight time 0.66 weight store WEIGHT
		run 500
		Per MPI rank memory allocation (min/avg/max) = 4.951 \| 5.142 \| 5.334 Mbytes
		Step Temp E_pair E_mol TotEng Press Volume
		1000 0.54200867 -6.2591246 0 -5.4463148 -1.8881624 4738.2137
		1050 0.54633412 -6.2656384 0 -5.4463421 -1.9012895 4738.2137
		1100 0.54325667 -6.2612166 0 -5.4465353 -1.8870463 4738.2137
		1150 0.55057583 -6.2719187 0 -5.4462614 -1.9575881 4738.2137
		1200 0.53728175 -6.251744 0 -5.4460228 -1.8124097 4738.2137
		1250 0.54077561 -6.2567544 0 -5.4457938 -1.8418133 4738.2137
		1300 0.54430333 -6.260995 0 -5.4447442 -1.856351 4738.2137
		1350 0.55097839 -6.2715909 0 -5.4453299 -1.9014337 4738.2137
		1400 0.53858139 -6.2526781 0 -5.445008 -1.7965773 4738.2137
		1450 0.5421844 -6.2574683 0 -5.444395 -1.7901189 4738.2137
		1500 0.54200617 -6.2571433 0 -5.4443373 -1.8000344 4738.2137
		Loop time of 4.8272 on 2 procs for 500 steps with 4000 atoms

		Performance: 44746.478 tau/day, 103.580 timesteps/s
		98.5% CPU use with 2 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 1.9951 \| 2.6814 \| 3.3676 \| 41.9 \| 55.55
		Neigh \| 0.82826 \| 0.90961 \| 0.99095 \| 8.5 \| 18.84
		Comm \| 0.44043 \| 1.2083 \| 1.9762 \| 69.9 \| 25.03
		Output \| 0.00034881 \| 0.0003655 \| 0.00038218 \| 0.0 \| 0.01
		Modify \| 0.016762 \| 0.01755 \| 0.018337 \| 0.6 \| 0.36
		Other \| \| 0.01001 \| \| \| 0.21

		Nlocal: 2000 ave 2564 max 1436 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Nghost: 10334 ave 10752 max 9916 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Neighs: 302958 ave 499873 max 106044 min
		Histogram: 1 0 0 0 0 0 0 0 0 1

		Total # of neighbors = 605917
		Ave neighs/atom = 151.479
		Neighbor list builds = 51
		Dangerous builds = 0
		run 500
		Per MPI rank memory allocation (min/avg/max) = 4.955 \| 5.336 \| 5.717 Mbytes
		Step Temp E_pair E_mol TotEng Press Volume
		1500 0.54200617 -6.2571433 0 -5.4443373 -1.8000344 4738.2137
		1550 0.53713591 -6.2504068 0 -5.4449044 -1.7647087 4738.2137
		1600 0.5467956 -6.2646482 0 -5.4446599 -1.8115778 4738.2137
		1650 0.53806575 -6.2519004 0 -5.4450036 -1.7409135 4738.2137
		1700 0.5347949 -6.2468958 0 -5.444904 -1.7162322 4738.2137
		1750 0.53714528 -6.2506529 0 -5.4451365 -1.7340402 4738.2137
		1800 0.5274989 -6.2358675 0 -5.444817 -1.6874989 4738.2137
		1850 0.54585906 -6.2629475 0 -5.4443636 -1.7758918 4738.2137
		1900 0.5301071 -6.2387551 0 -5.4437932 -1.6381903 4738.2137
		1950 0.54288149 -6.2582818 0 -5.4441632 -1.7367819 4738.2137
		2000 0.52766162 -6.2348587 0 -5.4435642 -1.5589151 4738.2137
		Loop time of 4.90351 on 2 procs for 500 steps with 4000 atoms

		Performance: 44050.062 tau/day, 101.968 timesteps/s
		98.1% CPU use with 2 MPI tasks x 1 OpenMP threads

		MPI task timing breakdown:
		Section \| min time \| avg time \| max time \|%varavg\| %total
		---------------------------------------------------------------
		Pair \| 1.9937 \| 2.6502 \| 3.3067 \| 40.3 \| 54.05
		Neigh \| 0.81645 \| 0.88655 \| 0.95664 \| 7.4 \| 18.08
		Comm \| 0.61197 \| 1.3389 \| 2.0659 \| 62.8 \| 27.31
		Output \| 0.00036287 \| 0.0003773 \| 0.00039172 \| 0.0 \| 0.01
		Modify \| 0.016585 \| 0.017429 \| 0.018274 \| 0.6 \| 0.36
		Other \| \| 0.01003 \| \| \| 0.20

		Nlocal: 2000 ave 2564 max 1436 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Nghost: 10256 ave 10620 max 9892 min
		Histogram: 1 0 0 0 0 0 0 0 0 1
		Neighs: 303988 ave 502064 max 105911 min
		Histogram: 1 0 0 0 0 0 0 0 0 1

		Total # of neighbors = 607975
		Ave neighs/atom = 151.994
		Neighbor list builds = 51
		Dangerous builds = 0
		Total wall time: 0:00:17

Admin message