mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
92a3a22899
commit
f75219da70
|
|
@ -58,6 +58,7 @@ section of the LAMMPS WWW Site.
|
|||
These are the sample problems and their output in the various
|
||||
sub-directories:
|
||||
|
||||
balance: dynamic load balancing, 2d system
|
||||
body: body particles, 2d system
|
||||
colloid: big colloid particles in a small particle solvent, 2d system
|
||||
comb: models using the COMB potential
|
||||
|
|
|
|||
|
|
@ -0,0 +1,54 @@
|
|||
# 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 atomic
|
||||
boundary f f p
|
||||
|
||||
lattice hex 0.85
|
||||
region box block 0 $x 0 $y -0.5 0.5
|
||||
create_box 1 box
|
||||
region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
|
||||
create_atoms 1 region circle
|
||||
mass 1 1.0
|
||||
|
||||
velocity all create 0.5 87287 loop geom
|
||||
velocity all set $v $w 0 sum yes
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
pair_coeff 1 1 10.0 1.0 2.5
|
||||
|
||||
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 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5
|
||||
|
||||
comm_style tiled
|
||||
fix 10 all balance 50 0.9 rcb
|
||||
|
||||
#compute 1 all property/atom proc
|
||||
#variable p atom c_1%10
|
||||
#dump 2 all custom 50 tmp2.dump id v_p x y z
|
||||
|
||||
#dump 3 all image 50 image.*.jpg v_p type &
|
||||
# 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
|
||||
|
|
@ -0,0 +1,187 @@
|
|||
LAMMPS (6 Aug 2014)
|
||||
# 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 atomic
|
||||
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
|
||||
Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
|
||||
1 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
|
||||
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
|
||||
|
||||
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
|
||||
fix 10 all balance 50 0.9 rcb
|
||||
|
||||
#compute 1 all property/atom proc
|
||||
#variable p atom c_1%10
|
||||
#dump 2 all custom 50 tmp2.dump id v_p x y z
|
||||
|
||||
#dump 3 all image 50 image.*.jpg v_p type # 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
|
||||
Memory usage per processor = 2.47688 Mbytes
|
||||
Step Temp E_pair Press 10[3] 10
|
||||
0 25.701528 -29.143179 -1.2407285 1 1
|
||||
100 26.269576 -29.713313 7.9052334 1 1
|
||||
200 26.368336 -29.809962 1.6412462 1 1
|
||||
300 26.479082 -29.920083 2.3678653 1 1
|
||||
400 26.522239 -29.965537 6.6787858 1 1
|
||||
500 25.725591 -29.168034 0.67065285 1 1
|
||||
600 26.247693 -29.692706 7.9887712 1 1
|
||||
700 26.237368 -29.676926 1.5987214 1 1
|
||||
800 25.889643 -29.431589 4.6160859 1 1
|
||||
900 23.635295 -27.372963 9.029962 1 1
|
||||
1000 22.571904 -25.87422 1.8936085 1 1
|
||||
1100 17.493795 -21.447274 9.502619 1 1
|
||||
1200 17.21446 -20.726965 6.3578919 1 1
|
||||
1300 16.424349 -19.757477 3.9025111 1 1
|
||||
1400 15.069397 -18.150758 1.7722934 1 1
|
||||
1500 13.672356 -16.747025 1.6933566 1 1
|
||||
1600 13.650116 -16.619621 1.8108274 1 1
|
||||
1700 13.303273 -16.289865 2.1173395 1 1
|
||||
1800 13.189157 -16.433469 2.3341581 1 1
|
||||
1900 12.309945 -15.352036 1.8704209 1 1
|
||||
2000 11.886083 -14.775509 1.1824078 1 1
|
||||
2100 11.931751 -14.808576 1.4443891 1 1
|
||||
2200 11.566481 -14.45758 1.6046615 1 1
|
||||
2300 11.293867 -14.167575 1.2369896 1 1
|
||||
2400 10.997115 -13.899448 1.2521445 1 1
|
||||
2500 11.255796 -14.117915 1.2188878 1 1
|
||||
2600 11.028483 -13.88919 1.5657507 1 1
|
||||
2700 10.679604 -13.525615 1.3779438 1 1
|
||||
2800 10.72712 -13.542346 1.3504776 1 1
|
||||
2900 10.29658 -13.156005 1.106932 1 1
|
||||
3000 10.507712 -13.322982 1.3247311 1 1
|
||||
3100 10.122267 -12.967566 1.3119197 1 1
|
||||
3200 10.229511 -13.117959 0.43205276 1 1
|
||||
3300 10.060076 -12.888659 1.1560338 1 1
|
||||
3400 9.7649382 -12.542068 0.92370961 1 1
|
||||
3500 9.8964272 -12.682043 1.525181 1 1
|
||||
3600 9.7979319 -12.560807 0.98538633 1 1
|
||||
3700 9.70963 -12.495541 1.278903 1 1
|
||||
3800 9.4498147 -12.222316 0.80075307 1 1
|
||||
3900 9.4211837 -12.172137 1.0971798 1 1
|
||||
4000 8.8503109 -11.608159 0.87029428 1 1
|
||||
4100 8.6085875 -11.361707 1.3911713 1 1
|
||||
4200 8.8902325 -11.630052 0.60327358 1 1
|
||||
4300 8.4879323 -11.22464 1.2824462 1 1
|
||||
4400 8.6186419 -11.343483 1.3623783 1 1
|
||||
4500 8.4155172 -11.147487 0.95317261 1 1
|
||||
4600 8.1545708 -10.858704 1.0953677 1 1
|
||||
4700 8.1231214 -10.842342 1.1942102 1 1
|
||||
4800 8.2260678 -10.954377 1.342099 1 1
|
||||
4900 8.2952311 -11.024799 0.4455958 1 1
|
||||
5000 8.0072889 -10.712778 0.71127126 1 1
|
||||
5100 8.2219617 -10.915043 0.51559239 1 1
|
||||
5200 7.7151473 -10.395064 1.0283055 1 1
|
||||
5300 8.1825451 -10.865184 0.67096093 1 1
|
||||
5400 7.9544966 -10.661831 0.71374926 1 1
|
||||
5500 7.7101446 -10.395936 0.581946 1 1
|
||||
5600 7.761341 -10.437733 0.66069516 1 1
|
||||
5700 7.4740146 -10.124135 0.38720649 1 1
|
||||
5800 7.4570464 -10.115214 0.76129075 1 1
|
||||
5900 7.3194274 -9.9539434 0.62089731 1 1
|
||||
6000 7.1529547 -9.9290591 0.72896317 1 1
|
||||
6100 7.1283343 -9.791939 0.95687845 1 1
|
||||
6200 7.4898886 -10.146467 0.21325379 1 1
|
||||
6300 7.2100631 -9.8724448 0.81042212 1 1
|
||||
6400 7.4530862 -10.103134 1.0443809 1 1
|
||||
6500 7.0277811 -9.7063095 0.53556968 1 1
|
||||
6600 7.1351634 -9.7994029 0.59850387 1 1
|
||||
6700 7.0807165 -9.7179253 0.66643244 1 1
|
||||
6800 6.8030877 -9.4712346 0.71547342 1 1
|
||||
6900 7.0802569 -9.7346339 0.94027512 1 1
|
||||
7000 7.2685023 -9.9258628 0.75699214 1 1
|
||||
7100 7.132778 -9.7783121 0.57020576 1 1
|
||||
7200 7.2325949 -9.8676608 0.42864948 1 1
|
||||
7300 6.5677747 -9.2069508 0.4103209 1 1
|
||||
7400 6.3548561 -9.0547336 0.45032884 1 1
|
||||
7500 6.128051 -8.7180622 0.64151203 1 1
|
||||
7600 6.50016 -9.0811666 0.60133349 1 1
|
||||
7700 6.0862975 -8.6987945 0.90642662 1 1
|
||||
7800 6.3102869 -8.9711312 0.49774937 1 1
|
||||
7900 6.1864165 -8.7613287 0.80802361 1 1
|
||||
8000 6.6159172 -9.2234603 0.75356041 1 1
|
||||
8100 6.1988657 -8.8198487 1.2278013 1 1
|
||||
8200 6.1999331 -8.7862435 0.38534909 1 1
|
||||
8300 6.2322998 -8.8436377 0.67014742 1 1
|
||||
8400 6.1398653 -8.7593363 0.50274405 1 1
|
||||
8500 6.1016023 -8.6715455 0.48702156 1 1
|
||||
8600 6.4623092 -9.0350879 1.1011124 1 1
|
||||
8700 6.0495086 -8.620864 0.65510547 1 1
|
||||
8800 6.3392655 -8.9135394 1.0279663 1 1
|
||||
8900 6.2402245 -8.8039625 0.7529844 1 1
|
||||
9000 6.1724079 -8.7362978 0.6190889 1 1
|
||||
9100 5.9957105 -8.5921763 0.62658049 1 1
|
||||
9200 6.1167415 -8.6695353 0.58604088 1 1
|
||||
9300 6.1121824 -8.6694028 0.31879369 1 1
|
||||
9400 6.2418468 -8.8086573 0.40396444 1 1
|
||||
9500 6.5424895 -9.1451132 0.41864492 1 1
|
||||
9600 5.8643961 -8.4388693 0.41628547 1 1
|
||||
9700 6.074328 -8.670679 0.87230053 1 1
|
||||
9800 5.8804295 -8.4395272 0.29416346 1 1
|
||||
9900 6.4058053 -8.9768534 0.56448884 1 1
|
||||
10000 5.9230309 -8.5277755 0.47271113 1 1
|
||||
Loop time of 0.678693 on 1 procs for 10000 steps with 361 atoms
|
||||
|
||||
Pair time (%) = 0.295739 (43.5748)
|
||||
Neigh time (%) = 0.245823 (36.22)
|
||||
Comm time (%) = 0.00546813 (0.805685)
|
||||
Outpt time (%) = 0.00218081 (0.321326)
|
||||
Other time (%) = 0.129482 (19.0781)
|
||||
|
||||
Nlocal: 361 ave 361 max 361 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 0 ave 0 max 0 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 1154 ave 1154 max 1154 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 1154
|
||||
Ave neighs/atom = 3.19668
|
||||
Neighbor list builds = 3617
|
||||
Dangerous builds = 0
|
||||
|
|
@ -0,0 +1,187 @@
|
|||
LAMMPS (6 Aug 2014)
|
||||
# 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 atomic
|
||||
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
|
||||
Created orthogonal box = (0 0 -0.582767) to (58.2767 40.3753 0.582767)
|
||||
2 by 2 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
|
||||
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
|
||||
|
||||
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
|
||||
fix 10 all balance 50 0.9 rcb
|
||||
|
||||
#compute 1 all property/atom proc
|
||||
#variable p atom c_1%10
|
||||
#dump 2 all custom 50 tmp2.dump id v_p x y z
|
||||
|
||||
#dump 3 all image 50 image.*.jpg v_p type # 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
|
||||
Memory usage per processor = 2.48839 Mbytes
|
||||
Step Temp E_pair Press 10[3] 10
|
||||
0 25.701528 -29.143179 -1.2407285 3.2354571 1.0526316
|
||||
100 26.269576 -29.713313 7.9052334 1.2742382 1.0304709
|
||||
200 26.368336 -29.809962 1.6412462 1.2520776 1.0083102
|
||||
300 26.479082 -29.920083 2.3678653 1.2299169 1.0193906
|
||||
400 26.522239 -29.965537 6.6787858 1.1855956 1.0083102
|
||||
500 25.725591 -29.168034 0.67065285 1.2520776 1.0083102
|
||||
600 26.247693 -29.692706 7.9887712 1.3074792 1.0083102
|
||||
700 26.237368 -29.676926 1.5987214 1.2409972 1.0083102
|
||||
800 25.889643 -29.431589 4.6160859 1.2631579 1.0083102
|
||||
900 23.635295 -27.372963 9.029962 1.1634349 1.0083102
|
||||
1000 22.571904 -25.87422 1.8936085 1.1301939 1.0193906
|
||||
1100 17.493795 -21.447274 9.502619 1.0858726 1.0193906
|
||||
1200 17.214459 -20.726966 6.3578912 1.0304709 1.0193906
|
||||
1300 16.423958 -19.757225 3.9029256 1.1191136 1.0083102
|
||||
1400 15.012852 -18.098102 1.7597439 1.0858726 1.0193906
|
||||
1500 13.461764 -16.535123 1.4686056 1.0526316 1.0083102
|
||||
1600 13.106004 -16.085302 1.8546143 1.0637119 1.0193906
|
||||
1700 12.80425 -15.830311 2.2764849 1.0858726 1.0193906
|
||||
1800 12.82407 -15.994641 1.8366224 1.0637119 1.0083102
|
||||
1900 12.454854 -15.451 2.2749834 1.0637119 1.0083102
|
||||
2000 12.540647 -15.443095 1.4020632 1.1191136 1.0193906
|
||||
2100 12.361566 -15.280286 1.7129448 1.0747922 1.0193906
|
||||
2200 11.824241 -14.796257 1.2138522 1.0415512 1.0083102
|
||||
2300 11.877741 -14.718012 1.1220571 1.0193906 1.0083102
|
||||
2400 11.823064 -14.661316 1.2173135 1.0193906 1.0193906
|
||||
2500 11.31359 -14.142933 0.92120181 1.0858726 1.0083102
|
||||
2600 11.136944 -13.863395 1.4010729 1.0304709 1.0083102
|
||||
2700 11.485612 -14.156728 1.8796242 1.0304709 1.0083102
|
||||
2800 10.802563 -13.545877 1.0103447 1.0193906 1.0083102
|
||||
2900 10.49187 -13.191367 1.0883248 1.0193906 1.0083102
|
||||
3000 10.726784 -13.439454 0.99457845 1.0304709 1.0083102
|
||||
3100 10.833 -13.520035 1.0345491 1.0304709 1.0083102
|
||||
3200 10.052065 -12.706149 1.2016906 1.0193906 1.0193906
|
||||
3300 9.9376633 -12.553477 0.91315033 1.0304709 1.0193906
|
||||
3400 9.5316521 -12.154267 0.9791642 1.0637119 1.0193906
|
||||
3500 9.6314158 -12.185882 1.1997938 1.0747922 1.0193906
|
||||
3600 9.2487441 -11.909318 0.93771128 1.0083102 1.0083102
|
||||
3700 9.4444972 -12.140835 1.6232294 1.0193906 1.0083102
|
||||
3800 9.353692 -11.920917 1.1822596 1.0304709 1.0193906
|
||||
3900 9.2687352 -11.794137 0.6481396 1.0083102 1.0193906
|
||||
4000 8.8475074 -11.393835 1.0247994 1.0637119 1.0083102
|
||||
4100 9.1567354 -11.736016 1.2010452 1.0415512 1.0193906
|
||||
4200 9.0194676 -11.573828 0.99535374 1.0526316 1.0083102
|
||||
4300 8.8654567 -11.374826 0.85581635 1.0637119 1.0083102
|
||||
4400 8.9511371 -11.522595 1.4445704 1.0415512 1.0083102
|
||||
4500 8.3982268 -10.946911 0.67323953 1.0083102 1.0304709
|
||||
4600 8.2170717 -10.7658 1.1416655 1.0304709 1.0193906
|
||||
4700 8.8697214 -11.436313 1.1707753 1.0193906 1.0304709
|
||||
4800 8.1095786 -10.63002 0.79286006 1.0304709 1.0193906
|
||||
4900 7.9904032 -10.531516 1.2415325 1.0415512 1.0193906
|
||||
5000 7.9563031 -10.474368 0.84032799 1.0193906 1.0083102
|
||||
5100 7.8068812 -10.312667 0.97823478 1.1080332 1.0083102
|
||||
5200 7.7388524 -10.230302 0.86534263 1.0415512 1.0083102
|
||||
5300 7.5873452 -10.069396 0.99794051 1.0193906 1.0193906
|
||||
5400 7.4358784 -9.9527014 0.56681844 1.0193906 1.0193906
|
||||
5500 7.6351531 -10.16306 1.0215393 1.0193906 1.0193906
|
||||
5600 7.5825632 -10.05578 0.0049597643 1.0747922 1.0083102
|
||||
5700 7.4323696 -9.9296172 0.90262084 1.0415512 1.0083102
|
||||
5800 7.3768195 -9.8640836 0.89878667 1.0526316 1.0083102
|
||||
5900 7.5820041 -10.079465 0.89180801 1.0193906 1.0083102
|
||||
6000 7.4984197 -9.9924314 1.3133848 1.0193906 1.0193906
|
||||
6100 7.3538317 -9.8293516 0.61568908 1.0637119 1.0193906
|
||||
6200 7.3956295 -9.879711 0.62701845 1.0083102 1.0193906
|
||||
6300 7.5633073 -10.078339 0.83045361 1.0193906 1.0083102
|
||||
6400 7.3924497 -9.8926214 0.83522981 1.0193906 1.0193906
|
||||
6500 7.2630044 -9.7462226 0.82707877 1.0193906 1.0193906
|
||||
6600 6.9637334 -9.4331344 0.79695817 1.0083102 1.0304709
|
||||
6700 7.5364035 -10.035962 1.0313301 1.0193906 1.0193906
|
||||
6800 7.1697754 -9.6443644 0.77560827 1.0193906 1.0193906
|
||||
6900 7.0817457 -9.5627768 0.59893367 1.0526316 1.0083102
|
||||
7000 6.962387 -9.434433 1.2062381 1.0193906 1.0083102
|
||||
7100 7.2023907 -9.6906297 0.83672978 1.0193906 1.0083102
|
||||
7200 7.0461626 -9.4944171 0.6740122 1.0304709 1.0083102
|
||||
7300 7.252873 -9.7303632 1.0041373 1.0304709 1.0083102
|
||||
7400 7.2817417 -9.7561883 0.54218799 1.0415512 1.0193906
|
||||
7500 6.6874861 -9.1404021 0.9183405 1.0304709 1.0083102
|
||||
7600 6.6881245 -9.1193275 0.70662744 1.0304709 1.0083102
|
||||
7700 6.9387188 -9.3970952 0.67733499 1.0858726 1.0083102
|
||||
7800 7.0104929 -9.4610166 0.93166644 1.0304709 1.0083102
|
||||
7900 6.6379242 -9.0893551 0.64667101 1.0193906 1.0193906
|
||||
8000 6.9831552 -9.44932 0.71823009 1.0304709 1.0083102
|
||||
8100 6.7012088 -9.1404387 0.86249147 1.0415512 1.0083102
|
||||
8200 6.8978584 -9.3575624 0.95208711 1.0193906 1.0083102
|
||||
8300 6.942591 -9.4024015 1.093981 1.0083102 1.0083102
|
||||
8400 6.6912062 -9.1548196 1.0664527 1.0304709 1.0083102
|
||||
8500 6.8077391 -9.2488414 0.74303224 1.0526316 1.0193906
|
||||
8600 6.7284715 -9.1530205 0.70099217 1.0304709 1.0193906
|
||||
8700 6.7785633 -9.2329029 0.48827807 1.0193906 1.0083102
|
||||
8800 6.6847397 -9.1338456 1.0121617 1.0637119 1.0083102
|
||||
8900 6.7361401 -9.1871678 0.70823435 1.0193906 1.0083102
|
||||
9000 6.6911248 -9.1397795 0.29822566 1.0304709 1.0193906
|
||||
9100 6.4638324 -8.9014907 0.44788652 1.0415512 1.0193906
|
||||
9200 6.6981866 -9.1988691 0.48356831 1.0415512 1.0193906
|
||||
9300 6.3422849 -8.810212 0.61804669 1.0083102 1.0193906
|
||||
9400 6.8761132 -9.3580644 0.65062175 1.0304709 1.0193906
|
||||
9500 6.6819303 -9.1457164 0.59522216 1.0304709 1.0083102
|
||||
9600 6.2744415 -8.7028417 0.55830174 1.0193906 1.0193906
|
||||
9700 6.7103177 -9.1467044 0.32461574 1.0415512 1.0193906
|
||||
9800 6.7992083 -9.2562723 1.0772631 1.0193906 1.0083102
|
||||
9900 6.4176977 -8.8245968 0.78396354 1.0193906 1.0304709
|
||||
10000 6.4572759 -8.8911667 0.68051121 1.0083102 1.0083102
|
||||
Loop time of 0.348356 on 4 procs for 10000 steps with 361 atoms
|
||||
|
||||
Pair time (%) = 0.0763658 (21.9218)
|
||||
Neigh time (%) = 0.066243 (19.0159)
|
||||
Comm time (%) = 0.111105 (31.8942)
|
||||
Outpt time (%) = 0.00226367 (0.649815)
|
||||
Other time (%) = 0.0923778 (26.5182)
|
||||
|
||||
Nlocal: 90.25 ave 91 max 90 min
|
||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
||||
Nghost: 31.75 ave 36 max 29 min
|
||||
Histogram: 1 1 0 0 1 0 0 0 0 1
|
||||
Neighs: 271.25 ave 429 max 148 min
|
||||
Histogram: 2 0 0 0 0 0 0 1 0 1
|
||||
|
||||
Total # of neighbors = 1085
|
||||
Ave neighs/atom = 3.00554
|
||||
Neighbor list builds = 3679
|
||||
Dangerous builds = 0
|
||||
Loading…
Reference in New Issue