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Updating examples

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This commit is contained in:
Joel Clemmer
2021-02-05 16:43:52 -07:00
parent 56841ba912
commit c94a740b4e
16 changed files with 20681 additions and 256 deletions
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examples/multi/log.30Nov20.powerlaw.intel.4 Normal file
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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
units lj
atom_style sphere
dimension 2
read_data data
Reading data file ...
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
2 by 2 by 1 MPI processor grid
reading atoms ...
10000 atoms
reading velocities ...
10000 velocities
read_data CPU = 0.024 seconds
change_box all triclinic
Changing box ...
triclinic box = (9.9514336 9.9514336 0.0000000) to (331.81396 331.81396 1.0000000) with tilt (0.0000000 0.0000000 0.0000000)
# multi neighbor and comm for efficiency
neighbor 1 multi
neigh_modify delay 0 collection/interval 6 1.5 3 10 30 100 200
comm_modify mode multi vel yes reduce/multi
# granular potential
pair_style granular
pair_coeff * * hooke 1.0 0.5 tangential linear_history 1.0 0.5 0.1 damping mass_velocity
# fixes
fix 1 all nve/sphere
fix 2 all enforce2d
fix 3 all deform 1 xy erate 2e-4
# dump 1 all custom 2000 dump.granular id x y z radius
thermo_style custom step temp epair etotal press vol pxy
thermo 1000
timestep 0.005
run 100000
Neighbor list info ...
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 164.7888
ghost atom cutoff = 164.7888
binsize = 82.3944, bins = 4 4 1
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair granular, perpetual
attributes: half, newton on, size, history
pair build: half/size/multi/newton/tri
stencil: half/multi/2d/tri
bin: multi
Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.67 | 12.68 Mbytes
Step Temp E_pair TotEng Press Volume Pxy
0 0.00014649953 0 0.00014648488 0.027643657 103595.49 -0.0014952693
1000 0.00014726802 0 0.00014725329 0.029388139 103595.49 -0.00172238
2000 0.00014880425 0 0.00014878937 0.029608995 103595.49 -0.0023614491
3000 0.00015154766 0 0.0001515325 0.029668747 103595.49 -0.0029243775
4000 0.00015547813 0 0.00015546258 0.029662951 103595.49 -0.0034433688
5000 0.00015919808 0 0.00015918216 0.02988062 103595.49 -0.0037443111
6000 0.00016272902 0 0.00016271275 0.029776943 103595.49 -0.0042445445
7000 0.00016666322 0 0.00016664655 0.029919286 103595.49 -0.0045231987
8000 0.00017137531 0 0.00017135817 0.029849078 103595.49 -0.0049023441
9000 0.00017774522 0 0.00017772744 0.029925275 103595.49 -0.0051437804
10000 0.00018294048 0 0.00018292219 0.030166956 103595.49 -0.0052769381
11000 0.00019030719 0 0.00019028816 0.02988594 103595.49 -0.0058095975
12000 0.00019806568 0 0.00019804587 0.029852302 103595.49 -0.0060925449
13000 0.00020800749 0 0.00020798669 0.029927995 103595.49 -0.0062667347
14000 0.00021854888 0 0.00021852703 0.029984135 103595.49 -0.0064949797
15000 0.00022975749 0 0.00022973451 0.030063358 103595.49 -0.0065788835
16000 0.00024074076 0 0.00024071668 0.03006058 103595.49 -0.006757928
17000 0.00025363768 0 0.00025361232 0.030138053 103595.49 -0.0068153904
18000 0.00026618156 0 0.00026615494 0.030621109 103595.49 -0.0067026865
19000 0.00028000661 0 0.00027997861 0.030520699 103595.49 -0.0067126187
20000 0.00029472369 0 0.00029469422 0.030182866 103595.49 -0.0071232374
21000 0.00031065822 0 0.00031062716 0.030417926 103595.49 -0.0070815254
22000 0.00032789694 0 0.00032786415 0.030434044 103595.49 -0.007044194
23000 0.00034491703 0 0.00034488253 0.031195478 103595.49 -0.006895101
24000 0.00036262497 0 0.00036258871 0.030348688 103595.49 -0.0073503964
25000 0.00038232332 0 0.00038228509 0.030429549 103595.49 -0.0073043833
26000 0.00040292952 0 0.00040288922 0.030277517 103595.49 -0.0074475354
27000 0.00042260162 0 0.00042255936 0.030270875 103595.49 -0.0074037511
28000 0.00044296255 0 0.00044291826 0.030568983 103595.49 -0.0070827585
29000 0.00046164594 0 0.00046159978 0.030392129 103595.49 -0.0070495682
30000 0.00048018966 0 0.00048014164 0.03027035 103595.49 -0.0071339757
31000 0.00049904958 0 0.00049899968 0.030278024 103595.49 -0.0070690709
32000 0.00051586592 0 0.00051581433 0.030105498 103595.49 -0.007134143
33000 0.000533257 0 0.00053320367 0.029788452 103595.49 -0.0072245811
34000 0.00054849405 0 0.0005484392 0.029873916 103595.49 -0.0069597013
35000 0.00056356221 0 0.00056350586 0.029706011 103595.49 -0.00704387
36000 0.00057701153 0 0.00057695383 0.029584377 103595.49 -0.006959137
37000 0.00058975804 0 0.00058969906 0.029510998 103595.49 -0.0069205813
38000 0.00060106815 0 0.00060100804 0.029866588 103595.49 -0.006493655
39000 0.0006117822 0 0.00061172102 0.029468049 103595.49 -0.0066810094
40000 0.00062087615 0 0.00062081406 0.02930398 103595.49 -0.0067044715
41000 0.00062938044 0 0.0006293175 0.029314381 103595.49 -0.0065941361
42000 0.00063664289 0 0.00063657923 0.029294787 103595.49 -0.0065039202
43000 0.00064404027 0 0.00064397587 0.029224232 103595.49 -0.0065035306
44000 0.00064990723 0 0.00064984224 0.029142324 103595.49 -0.0065034116
45000 0.00065485343 0 0.00065478795 0.029121173 103595.49 -0.0065214973
46000 0.00065918796 0 0.00065912204 0.029651005 103595.49 -0.0060509446
47000 0.00066144517 0 0.00066137903 0.029234729 103595.49 -0.0064672274
48000 0.00066261185 0 0.00066254559 0.029229845 103595.49 -0.0065053596
49000 0.00066414215 0 0.00066407574 0.029562705 103595.49 -0.0062441985
50000 0.0006656453 0 0.00066557874 0.029728174 103595.49 -0.0062147051
51000 0.00066738973 0 0.00066732299 0.029928822 103595.49 -0.0060118516
52000 0.00066929756 0 0.00066923063 0.029886551 103595.49 -0.0061374389
53000 0.00067003172 0 0.00066996472 0.029567015 103595.49 -0.0063482821
54000 0.00067198511 0 0.00067191791 0.029833698 103595.49 -0.0061879264
55000 0.00067091193 0 0.00067084484 0.029711467 103595.49 -0.006233379
56000 0.00067046578 0 0.00067039873 0.030035238 103595.49 -0.0060959401
57000 0.00066988234 0 0.00066981535 0.030055225 103595.49 -0.0060935858
58000 0.00066786916 0 0.00066780238 0.029282172 103595.49 -0.0066021495
59000 0.00065350543 0 0.00065344008 0.029343567 103595.49 -0.0065364678
60000 0.0006530936 0 0.0006530283 0.02940862 103595.49 -0.0065558353
61000 0.00065187483 0 0.00065180964 0.02929946 103595.49 -0.0066840857
62000 0.00065245428 0 0.00065238904 0.030084765 103595.49 -0.0063065368
63000 0.0006549311 0 0.00065486561 0.029725525 103595.49 -0.0065305296
64000 0.00065774123 0 0.00065767546 0.029562667 103595.49 -0.0066194535
65000 0.00066126698 0 0.00066120085 0.029524987 103595.49 -0.0067008104
66000 0.0006643846 0 0.00066431816 0.029589813 103595.49 -0.0066689844
67000 0.00066823073 0 0.00066816391 0.029613668 103595.49 -0.0067372273
68000 0.00067301835 0 0.00067295104 0.029568568 103595.49 -0.0067808311
69000 0.00067876831 0 0.00067870043 0.029948152 103595.49 -0.0065107568
70000 0.00068419902 0 0.0006841306 0.029572996 103595.49 -0.0067066975
71000 0.00068730343 0 0.0006872347 0.029970497 103595.49 -0.0063646358
72000 0.00068930016 0 0.00068923123 0.029602044 103595.49 -0.0064953597
73000 0.00068953092 0 0.00068946197 0.029671751 103595.49 -0.0064422021
74000 0.00069106659 0 0.00069099748 0.029918321 103595.49 -0.0062634576
75000 0.00069609345 0 0.00069602384 0.029666179 103595.49 -0.0063552778
76000 0.00070399534 0 0.00070392494 0.029599912 103595.49 -0.0063251165
77000 0.00070284669 0 0.00070277641 0.029658992 103595.49 -0.0061988379
78000 0.00070619715 0 0.00070612653 0.029578035 103595.49 -0.0062153063
79000 0.00070895477 0 0.00070888388 0.029617734 103595.49 -0.0062090554
80000 0.00071127424 0 0.00071120311 0.029539347 103595.49 -0.0062883775
81000 0.00070945256 0 0.00070938162 0.029515493 103595.49 -0.0063350852
82000 0.00070895167 0 0.00070888078 0.029537389 103595.49 -0.0063819074
83000 0.00070948858 0 0.00070941763 0.02998589 103595.49 -0.0061284544
84000 0.00071197606 0 0.00071190486 0.030005566 103595.49 -0.0061829926
85000 0.00071266684 0 0.00071259557 0.029675137 103595.49 -0.0063804963
86000 0.00071465352 0 0.00071458205 0.029762675 103595.49 -0.0062924985
87000 0.00071779428 0 0.0007177225 0.029712831 103595.49 -0.0063812951
88000 0.00072016431 0 0.0007200923 0.029932619 103595.49 -0.0063145709
89000 0.00072271727 0 0.000722645 0.029818327 103595.49 -0.0064025621
90000 0.00072122834 0 0.00072115622 0.029829495 103595.49 -0.0065870713
91000 0.00072441206 0 0.00072433962 0.029939415 103595.49 -0.0064224045
92000 0.00072735846 0 0.00072728572 0.02991447 103595.49 -0.0064256019
93000 0.00072898882 0 0.00072891592 0.030230938 103595.49 -0.0061929729
94000 0.00072985209 0 0.00072977911 0.030145973 103595.49 -0.0062797016
95000 0.0007320685 0 0.0007319953 0.030113809 103595.49 -0.0062765142
96000 0.0007337917 0 0.00073371832 0.029919191 103595.49 -0.0063350801
97000 0.00073385417 0 0.00073378078 0.030184207 103595.49 -0.0062855982
98000 0.00073531629 0 0.00073524276 0.029974905 103595.49 -0.0064826333
99000 0.0007380024 0 0.0007379286 0.030678507 103595.49 -0.0060867823
100000 0.00073858055 0 0.00073850669 0.030048209 103595.49 -0.0065772058
Loop time of 77.8133 on 4 procs for 100000 steps with 10000 atoms
Performance: 555175.163 tau/day, 1285.128 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 | 28.939 | 48.992 | 61.808 | 189.4 | 62.96
Neigh | 0.22765 | 0.31872 | 0.38751 | 10.9 | 0.41
Comm | 3.53 | 16.362 | 36.515 | 328.8 | 21.03
Output | 0.0046275 | 0.0064601 | 0.008626 | 1.8 | 0.01
Modify | 5.0862 | 8.3128 | 10.255 | 74.1 | 10.68
Other | | 3.821 | | | 4.91
Nlocal: 2500.00 ave 3016 max 1605 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 221.500 ave 273 max 176 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs: 8616.00 ave 10377 max 5447 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Total # of neighbors = 34464
Ave neighs/atom = 3.4464000
Neighbor list builds = 153
Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:01:17