Updating examples
This commit is contained in:
Joel Clemmer
@ -1,5 +1,5 @@
|
||||
LAMMPS (30 Nov 2020)
|
||||
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:95)
|
||||
LAMMPS (24 Dec 2020)
|
||||
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:97)
|
||||
using 1 OpenMP thread(s) per MPI task
|
||||
# Big colloid particles and small LJ particles
|
||||
|
||||
@ -52,8 +52,8 @@ velocity all create 1.44 87287 loop geom
|
||||
# multi neighbor and comm for efficiency
|
||||
|
||||
neighbor 1 multi #multi/old
|
||||
neigh_modify delay 0
|
||||
comm_modify mode multi vel yes multi/reduce
|
||||
neigh_modify delay 0 collection/interval 2 1 20
|
||||
comm_modify mode multi vel yes reduce/multi #multi/old
|
||||
|
||||
# colloid potential
|
||||
|
||||
@ -64,7 +64,7 @@ fix 1 all nph/sphere iso 0.0 1.0 10.0 drag 1.0
|
||||
fix 2 all enforce2d
|
||||
fix 3 all deform 1 xy erate 1e-3
|
||||
|
||||
dump 1 all custom 1000 dump.granular id x y z radius
|
||||
#dump 1 all custom 1000 dump.granular id x y z radius
|
||||
|
||||
#dump 2 all image 1000 image.*.jpg type type # zoom 1.5 center d 0.5 0.5 0.5
|
||||
#dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5
|
||||
@ -90,86 +90,86 @@ Neighbor list info ...
|
||||
pair build: half/size/multi/newton/tri
|
||||
stencil: half/multi/2d/tri
|
||||
bin: multi
|
||||
Per MPI rank memory allocation (min/avg/max) = 11.33 | 11.33 | 11.33 Mbytes
|
||||
Per MPI rank memory allocation (min/avg/max) = 10.09 | 10.10 | 10.10 Mbytes
|
||||
Step Temp E_pair TotEng Press Volume
|
||||
0 1.44 0 1.4395623 0.66837658 7200
|
||||
1000 0.32273428 0 0.32263619 0.17174972 7859.8897
|
||||
2000 0.12441598 0 0.12437817 0.067078155 8212.9946
|
||||
3000 0.067389284 0 0.067368801 0.040425551 8336.7112
|
||||
4000 0.044312733 0 0.044299264 0.028220228 8229.0658
|
||||
5000 0.032702163 0 0.032692223 0.024302012 7931.1298
|
||||
6000 0.025856 0 0.025848141 0.021241317 7603.5534
|
||||
7000 0.021437473 0 0.021430957 0.019285494 7243.5757
|
||||
8000 0.018129567 0 0.018124057 0.020738727 6877.4816
|
||||
9000 0.01637016 0 0.016365184 0.020261904 6515.3445
|
||||
10000 0.01500918 0 0.015004618 0.020551803 6160.4475
|
||||
11000 0.014156553 0 0.01415225 0.021324818 5815.4665
|
||||
12000 0.013725412 0 0.01372124 0.021159958 5483.6304
|
||||
13000 0.013215733 0 0.013211716 0.021685624 5165.4758
|
||||
14000 0.012398179 0 0.012394411 0.024155572 4862.8657
|
||||
15000 0.01184269 0 0.01183909 0.028504106 4577.901
|
||||
16000 0.01143291 0 0.011429435 0.033564204 4309.88
|
||||
17000 0.011166204 0 0.01116281 0.040588854 4058.9972
|
||||
18000 0.011000875 0 0.010997532 0.048998904 3825.1569
|
||||
19000 0.010225905 0 0.010222797 0.063669586 3607.6622
|
||||
20000 0.0091390249 0 0.0091362471 0.088165396 3408.567
|
||||
21000 0.0077382016 0 0.0077358496 0.11770473 3227.6936
|
||||
22000 0.0060173113 0 0.0060154823 0.15261992 3064.3873
|
||||
23000 0.0046667554 0 0.004665337 0.19453813 2917.9782
|
||||
24000 0.0040425764 0 0.0040413476 0.24145834 2788.3897
|
||||
25000 0.0031933187 0 0.0031923481 0.28989732 2674.5164
|
||||
26000 0.0021139018 0 0.0021132592 0.33598721 2574.9313
|
||||
27000 0.0017005052 0 0.0016999884 0.37665029 2487.1628
|
||||
28000 0.001443434 0 0.0014429952 0.41572112 2409.3271
|
||||
29000 0.00089885805 0 0.00089858484 0.45343123 2340.2314
|
||||
30000 0.00048558336 0 0.00048543577 0.49175966 2279.2156
|
||||
31000 0.00058132898 0 0.00058115228 0.53236819 2226.2347
|
||||
32000 0.00057751441 0 0.00057733887 0.56915062 2181.2736
|
||||
33000 0.00044720497 0 0.00044706904 0.59696122 2142.5709
|
||||
34000 0.00060927898 0 0.00060909379 0.61734988 2107.128
|
||||
35000 0.00077422577 0 0.00077399045 0.63696024 2072.6004
|
||||
36000 0.00055753008 0 0.00055736062 0.65981839 2038.8237
|
||||
37000 0.0003140158 0 0.00031392035 0.69018918 2007.323
|
||||
38000 0.00034970199 0 0.0003495957 0.72155094 1980.1702
|
||||
39000 0.00041435514 0 0.00041422919 0.7468053 1957.3837
|
||||
40000 0.00037229543 0 0.00037218227 0.76581519 1936.8032
|
||||
41000 0.00031027679 0 0.00031018248 0.78321128 1916.1103
|
||||
42000 0.00026621832 0 0.00026613741 0.80267694 1894.4646
|
||||
43000 0.00020544063 0 0.00020537818 0.82714181 1872.768
|
||||
44000 0.00015635243 0 0.00015630491 0.85496512 1853.0303
|
||||
45000 0.00014985611 0 0.00014981056 0.87924561 1836.4779
|
||||
46000 0.00015645346 0 0.00015640591 0.89896131 1822.2004
|
||||
47000 0.00016007816 0 0.00016002951 0.91662026 1808.4601
|
||||
48000 0.00017439363 0 0.00017434063 0.93565314 1794.1244
|
||||
49000 0.00018647711 0 0.00018642043 0.95733125 1779.401
|
||||
50000 0.00018463414 0 0.00018457802 0.96449755 1765.1506
|
||||
Loop time of 22.3987 on 4 procs for 50000 steps with 3290 atoms
|
||||
1000 0.32605303 0 0.32595393 0.17341558 7862.5037
|
||||
2000 0.12631567 0 0.12627728 0.069188881 8216.7174
|
||||
3000 0.069373812 0 0.069352726 0.040740832 8344.2982
|
||||
4000 0.045084633 0 0.045070929 0.029328609 8239.3656
|
||||
5000 0.032681746 0 0.032671813 0.025416741 7943.7831
|
||||
6000 0.026301239 0 0.026293245 0.021418793 7617.8426
|
||||
7000 0.021666723 0 0.021660138 0.018961011 7255.9338
|
||||
8000 0.018141337 0 0.018135823 0.019306113 6887.4963
|
||||
9000 0.015922309 0 0.015917469 0.020033398 6524.016
|
||||
10000 0.014744547 0 0.014740066 0.020959503 6168.1945
|
||||
11000 0.013872852 0 0.013868636 0.021708943 5823.3153
|
||||
12000 0.013321594 0 0.013317545 0.02332141 5491.4979
|
||||
13000 0.01269964 0 0.012695779 0.024796428 5174.6263
|
||||
14000 0.01227055 0 0.012266821 0.027785072 4873.4516
|
||||
15000 0.012120508 0 0.012116824 0.029656636 4588.8603
|
||||
16000 0.011612027 0 0.011608498 0.034695109 4320.4674
|
||||
17000 0.011216697 0 0.011213288 0.042746966 4069.4275
|
||||
18000 0.010950166 0 0.010946838 0.053528994 3835.5439
|
||||
19000 0.010887635 0 0.010884325 0.069684492 3619.562
|
||||
20000 0.010563449 0 0.010560238 0.08654561 3420.2636
|
||||
21000 0.0092336323 0 0.0092308257 0.11286068 3237.1408
|
||||
22000 0.006929086 0 0.0069269799 0.15018917 3072.0438
|
||||
23000 0.0052239156 0 0.0052223277 0.19067193 2924.441
|
||||
24000 0.0044210081 0 0.0044196644 0.23908686 2793.2426
|
||||
25000 0.0034916086 0 0.0034905473 0.29112824 2678.7912
|
||||
26000 0.002549072 0 0.0025482972 0.33567824 2579.3738
|
||||
27000 0.0020890726 0 0.0020884377 0.37328514 2491.0502
|
||||
28000 0.001772982 0 0.0017724431 0.41079958 2411.9111
|
||||
29000 0.001127719 0 0.0011273762 0.44752241 2341.1888
|
||||
30000 0.00053266563 0 0.00053250373 0.48791815 2278.5611
|
||||
31000 0.00050278646 0 0.00050263364 0.52896525 2224.5328
|
||||
32000 0.00051880956 0 0.00051865187 0.56884574 2178.6674
|
||||
33000 0.00054908167 0 0.00054891477 0.6016387 2140.3696
|
||||
34000 0.00075213884 0 0.00075191023 0.62070188 2106.6504
|
||||
35000 0.00081295162 0 0.00081270452 0.63492031 2073.0077
|
||||
36000 0.00056699821 0 0.00056682587 0.65608409 2038.3251
|
||||
37000 0.0003540723 0 0.00035396468 0.68803919 2005.497
|
||||
38000 0.00031139738 0 0.00031130273 0.72103717 1977.7345
|
||||
39000 0.00034087822 0 0.00034077461 0.74697975 1954.8979
|
||||
40000 0.00035452426 0 0.0003544165 0.76682035 1934.5695
|
||||
41000 0.00030882258 0 0.00030872871 0.78390763 1914.3326
|
||||
42000 0.00025492799 0 0.00025485051 0.80439795 1893.1474
|
||||
43000 0.00021545017 0 0.00021538468 0.82803644 1872.073
|
||||
44000 0.00017293257 0 0.00017288 0.85436769 1852.6548
|
||||
45000 0.00014097725 0 0.0001409344 0.8796181 1836.0087
|
||||
46000 0.0001139199 0 0.00011388527 0.90006173 1821.7977
|
||||
47000 0.00012678598 0 0.00012674745 0.90876359 1808.4913
|
||||
48000 0.00013796773 0 0.00013792579 0.93661523 1793.8082
|
||||
49000 0.00014723144 0 0.00014718669 0.95869417 1779.1875
|
||||
50000 0.00013610653 0 0.00013606516 0.97777198 1765.3247
|
||||
Loop time of 17.7405 on 4 procs for 50000 steps with 3290 atoms
|
||||
|
||||
Performance: 964340.770 tau/day, 2232.270 timesteps/s
|
||||
99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
Performance: 1217551.996 tau/day, 2818.407 timesteps/s
|
||||
100.0% CPU use with 4 MPI tasks x 1 OpenMP threads
|
||||
|
||||
MPI task timing breakdown:
|
||||
Section | min time | avg time | max time |%varavg| %total
|
||||
---------------------------------------------------------------
|
||||
Pair | 8.5158 | 12.318 | 15.836 | 92.1 | 54.99
|
||||
Neigh | 0.092527 | 0.11392 | 0.13595 | 5.6 | 0.51
|
||||
Comm | 2.7127 | 6.2337 | 10.096 | 131.0 | 27.83
|
||||
Output | 0.088027 | 0.088284 | 0.088812 | 0.1 | 0.39
|
||||
Modify | 2.8544 | 3.0435 | 3.2034 | 9.2 | 13.59
|
||||
Other | | 0.6017 | | | 2.69
|
||||
Pair | 6.6629 | 9.6168 | 12.444 | 76.6 | 54.21
|
||||
Neigh | 0.049771 | 0.055182 | 0.06133 | 2.0 | 0.31
|
||||
Comm | 1.7883 | 4.6306 | 7.6179 | 111.5 | 26.10
|
||||
Output | 0.00085342 | 0.0010606 | 0.0015425 | 0.9 | 0.01
|
||||
Modify | 2.7244 | 2.895 | 3.0436 | 8.2 | 16.32
|
||||
Other | | 0.5419 | | | 3.05
|
||||
|
||||
Nlocal: 822.500 ave 859 max 785 min
|
||||
Histogram: 1 0 1 0 0 0 0 0 1 1
|
||||
Nghost: 395.750 ave 424 max 368 min
|
||||
Histogram: 1 0 1 0 0 0 0 1 0 1
|
||||
Neighs: 13439.5 ave 14346 max 12017 min
|
||||
Histogram: 1 0 0 0 0 1 0 0 0 2
|
||||
Nlocal: 822.500 ave 897 max 779 min
|
||||
Histogram: 1 1 0 1 0 0 0 0 0 1
|
||||
Nghost: 190.500 ave 211 max 179 min
|
||||
Histogram: 2 0 0 1 0 0 0 0 0 1
|
||||
Neighs: 6665.75 ave 7329 max 6104 min
|
||||
Histogram: 1 0 0 1 1 0 0 0 0 1
|
||||
|
||||
Total # of neighbors = 53758
|
||||
Ave neighs/atom = 16.339818
|
||||
Neighbor list builds = 348
|
||||
Total # of neighbors = 26663
|
||||
Ave neighs/atom = 8.1042553
|
||||
Neighbor list builds = 342
|
||||
Dangerous builds = 0
|
||||
|
||||
Please see the log.cite file for references relevant to this simulation
|
||||
|
||||
Total wall time: 0:00:22
|
||||
Total wall time: 0:00:17
|
||||
|
||||
Reference in New Issue
Block a user