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Commit c763916f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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update log files for granregion hugoniostat and indent examples

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examples/granregion/log.27Nov18.granregion.box.g++.1 0 → 100644
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LAMMPS (27 Nov 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87)
using 1 OpenMP thread(s) per MPI task
# pouring spheres into container box
units lj
atom_style sphere
boundary f f f
dimension 3
comm_modify vel yes
region box block -10 10 -10 10 -10 10 units box
create_box 2 box
Created orthogonal box = (-10 -10 -10) to (10 10 10)
1 by 1 by 1 MPI processor grid
pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1
pair_coeff * * gran/hooke
region container block -6 6 -6 6 -6 6 units box
fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
fix 2 all nve/sphere
fix 3 all gravity 1.0 vector 0 0 -1
region slab block -2 2 -2 2 -2 2 units box
fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore
Particle insertion: 48 every 566 steps, 100 by step 1133
timestep 0.005
compute 1 all temp
compute_modify 1 dynamic/dof yes
compute 2 all temp/sphere
compute_modify 2 dynamic/dof yes
thermo 100
thermo_style custom step atoms temp c_1 c_2 press
thermo_modify lost ignore
compute_modify thermo_temp dynamic/dof yes
#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03
#dump_modify 2 pad 5
run 5000
Neighbor list info ...
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 1.3
ghost atom cutoff = 1.3
binsize = 0.65, bins = 31 31 31
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair gran/hooke, perpetual
attributes: half, newton on, size
pair build: half/size/bin/newton
stencil: half/bin/3d/newton
bin: standard
Per MPI rank memory allocation (min/avg/max) = 0.5855 | 0.5855 | 0.5855 Mbytes
Step Atoms Temp c_1 c_2 Press
0 0 0 0 0 0
100 21 0.54270729 0.54270729 0.26473526 0.0013567682
200 21 0.87606961 0.87606961 0.42735103 0.002190174
300 21 1.1428374 1.1428374 0.55748167 0.0028570936
400 21 1.3543103 1.3543103 0.66829516 0.0033857758
500 21 1.0677786 1.0677786 0.53582407 0.0045048164
600 56 0.6744286 0.6744286 0.3502938 0.0047464584
700 56 0.75569283 0.75569283 0.39779462 0.0051953882
800 56 0.61597505 0.61597505 0.32943642 0.0086022783
900 56 0.65260802 0.65260802 0.34474044 0.0059298996
1000 56 0.51624952 0.51624952 0.28326898 0.0067827337
1100 56 0.46050076 0.46050076 0.25656319 0.0061891094
1200 81 0.39112346 0.39112346 0.21690172 0.0086559316
1300 81 0.33302617 0.33302617 0.19109398 0.0033381104
1400 81 0.3933533 0.3933533 0.21221692 0.004135078
1500 81 0.35495297 0.35495297 0.19925984 0.0037374946
1600 81 0.34150606 0.34150606 0.19025811 0.0053492835
1700 100 0.2561647 0.2561647 0.14186278 0.0090767057
1800 100 0.21124278 0.21124278 0.12154878 0.0028545759
1900 100 0.21793955 0.21793955 0.12173867 0.0029049155
2000 100 0.25530858 0.25530858 0.13892272 0.0035528009
2100 100 0.24671808 0.24671808 0.13687783 0.0076812435
2200 100 0.22465216 0.22465216 0.12513603 0.0042528715
2300 100 0.19362854 0.19362854 0.10914305 0.0061173739
2400 100 0.061627608 0.061627608 0.045907717 0.0010422721
2500 100 0.052700901 0.052700901 0.038883014 0.0019341647
2600 100 0.037332018 0.037332018 0.028357146 0.0028364476
2700 100 0.033526602 0.033526602 0.024609055 0.00044524562
2800 100 0.0194148 0.0194148 0.014491377 0.00056526591
2900 100 0.012346108 0.012346108 0.009857017 0.00081855699
3000 100 0.0107344 0.0107344 0.008669364 0.00040371396
3100 100 0.0092678291 0.0092678291 0.0073003108 0.00033287397
3200 100 0.0085847001 0.0085847001 0.0064045591 0.00023253547
3300 100 0.0049475182 0.0049475182 0.0041173627 0.00019876269
3400 100 0.0030471097 0.0030471097 0.0026940466 0.00013462604
3500 100 0.0031188371 0.0031188371 0.002612223 0.00026148578
3600 100 0.0017616584 0.0017616584 0.0017464137 0.00019049724
3700 100 0.0015475923 0.0015475923 0.0015560356 0.00025062814
3800 100 0.0012547887 0.0012547887 0.0012622678 0.00014132236
3900 100 0.0010047282 0.0010047282 0.0010379262 9.7665594e-05
4000 100 0.00080895307 0.00080895307 0.00088263027 8.1278842e-05
4100 100 0.00079078739 0.00079078739 0.00085810727 8.1271694e-05
4200 100 0.00075192318 0.00075192318 0.00083085046 8.9352453e-05
4300 100 0.00063546457 0.00063546457 0.00073222177 8.9264255e-05
4400 100 0.00062398391 0.00062398391 0.00071312118 8.4200615e-05
4500 100 0.00056464934 0.00056464934 0.00066087801 9.2097641e-05
4600 100 0.00066951894 0.00066951894 0.00071633313 8.2457941e-05
4700 100 0.001128837 0.001128837 0.00095293877 0.00011716361
4800 100 0.00049580391 0.00049580391 0.00056710488 0.00010718794
4900 100 0.00054374371 0.00054374371 0.00058671699 5.6580257e-05
5000 100 0.00043016232 0.00043016232 0.00050264172 2.8640786e-05
Loop time of 0.0807264 on 1 procs for 5000 steps with 100 atoms
Performance: 26757050.955 tau/day, 61937.618 timesteps/s
97.4% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0089066 | 0.0089066 | 0.0089066 | 0.0 | 11.03
Neigh | 0.017107 | 0.017107 | 0.017107 | 0.0 | 21.19
Comm | 0.00091505 | 0.00091505 | 0.00091505 | 0.0 | 1.13
Output | 0.00051451 | 0.00051451 | 0.00051451 | 0.0 | 0.64
Modify | 0.047671 | 0.047671 | 0.047671 | 0.0 | 59.05
Other | | 0.005612 | | | 6.95
Nlocal: 100 ave 100 max 100 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: 158 ave 158 max 158 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 158
Ave neighs/atom = 1.58
Neighbor list builds = 310
Dangerous builds = 0
region container delete
variable theta equal (step-5000)*(4.0*PI/5000)
region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1
run 5000
Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
Step Atoms Temp c_1 c_2 Press
5000 100 0.00043016232 0.00043016232 0.00050264172 2.8677624e-05
5100 100 0.56489668 0.56489668 0.31137762 0.011848041
5200 100 0.66068288 0.66068288 0.35915482 0.010199755
5300 100 0.74068022 0.74068022 0.39643217 0.010806409
5400 100 0.80913562 0.80913562 0.42748505 0.01190892
5500 100 0.89409135 0.89409135 0.46135116 0.013093474
5600 100 0.97585093 0.97585093 0.50021126 0.013588886
5700 100 1.0151954 1.0151954 0.5174624 0.01601347
5800 100 1.0452728 1.0452728 0.53122496 0.01879329
5900 100 1.0881689 1.0881689 0.55152229 0.017120714
6000 100 1.1133186 1.1133186 0.5638022 0.017284617
6100 100 1.1532099 1.1532099 0.58310076 0.017031384
6200 100 1.1798849 1.1798849 0.5959516 0.017971323
6300 100 1.19387 1.19387 0.60173877 0.020140984
6400 100 1.2126705 1.2126705 0.61086899 0.018426638
6500 100 1.2137646 1.2137646 0.61284198 0.019127381
6600 100 1.2339012 1.2339012 0.62199324 0.019378799
6700 100 1.2439326 1.2439326 0.62488425 0.021049447
6800 100 1.2489549 1.2489549 0.6278167 0.019552409
6900 100 1.2733303 1.2733303 0.63898149 0.020237284
7000 100 1.2835029 1.2835029 0.6440245 0.020798586
7100 100 1.2866111 1.2866111 0.64522896 0.020355019
7200 100 1.2886381 1.2886381 0.6467497 0.02062322
7300 100 1.2885085 1.2885085 0.64617988 0.020350755
7400 100 1.2912349 1.2912349 0.64691898 0.020197503
7500 100 1.2963062 1.2963062 0.64926335 0.020349791
7600 100 1.3016488 1.3016488 0.65150178 0.021001457
7700 100 1.3009311 1.3009311 0.65106234 0.021546471
7800 100 1.3016987 1.3016987 0.65143099 0.020994967
7900 100 1.3028811 1.3028811 0.65164558 0.022200425
8000 100 1.3087855 1.3087855 0.65439023 0.021310808
8100 100 1.3102001 1.3102001 0.65514941 0.021177764
8200 100 1.3133931 1.3133931 0.65681861 0.021591267
8300 100 1.3148898 1.3148898 0.65775353 0.021335384
8400 100 1.3160355 1.3160355 0.65845913 0.021238095
8500 100 1.3171797 1.3171797 0.65934185 0.021172983
8600 100 1.3176785 1.3176785 0.65964311 0.020747457
8700 100 1.3180425 1.3180425 0.66019624 0.021275913
8800 100 1.3287501 1.3287501 0.66444242 0.021832635
8900 100 1.3249847 1.3249847 0.6625848 0.021337451
9000 100 1.326216 1.326216 0.66297827 0.021470663
9100 100 1.3261662 1.3261662 0.66303852 0.021423573
9200 100 1.3312132 1.3312132 0.6653609 0.021385943
9300 100 1.3300976 1.3300976 0.66504574 0.021489888
9400 100 1.3377335 1.3377335 0.66820989 0.021565001
9500 100 1.3421956 1.3421956 0.67027168 0.022402346
9600 100 1.3464217 1.3464217 0.67228206 0.021991922
9700 100 1.3470623 1.3470623 0.67258349 0.022035729
9800 100 1.3446725 1.3446725 0.67135725 0.022295251
9900 100 1.343146 1.343146 0.67066672 0.022049041
10000 100 1.3435397 1.3435397 0.67093067 0.022451365
Loop time of 0.247549 on 1 procs for 5000 steps with 100 atoms
Performance: 8725560.044 tau/day, 20198.056 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.031783 | 0.031783 | 0.031783 | 0.0 | 12.84
Neigh | 0.038383 | 0.038383 | 0.038383 | 0.0 | 15.51
Comm | 0.0012343 | 0.0012343 | 0.0012343 | 0.0 | 0.50
Output | 0.00056028 | 0.00056028 | 0.00056028 | 0.0 | 0.23
Modify | 0.1687 | 0.1687 | 0.1687 | 0.0 | 68.15
Other | | 0.00689 | | | 2.78
Nlocal: 100 ave 100 max 100 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: 199 ave 199 max 199 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 199
Ave neighs/atom = 1.99
Neighbor list builds = 621
Dangerous builds = 0
region container delete
region container block -6 6 -6 6 -6 6 units box
run 5000
Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
Step Atoms Temp c_1 c_2 Press
10000 100 1.3435397 1.3435397 0.67093067 0.022411116
10100 100 0.31352763 0.31352763 0.18877908 0.01321582
10200 100 0.13367611 0.13367611 0.090010637 0.0074171016
10300 100 0.068195658 0.068195658 0.052632714 0.0019696287
10400 100 0.053814936 0.053814936 0.043037586 0.0017121584
10500 100 0.04032072 0.04032072 0.032944572 0.0011809154
10600 100 0.029178161 0.029178161 0.023951873 0.0007804529
10700 100 0.025978206 0.025978206 0.021045025 0.00099531465
10800 100 0.023205036 0.023205036 0.01898502 0.00040036401
10900 100 0.019994638 0.019994638 0.016451227 0.00027385559
11000 100 0.017838131 0.017838131 0.014730762 0.00040399762
11100 100 0.014863196 0.014863196 0.012314308 0.00019097464
11200 100 0.012131256 0.012131256 0.010102122 0.00018514926
11300 100 0.010881385 0.010881385 0.0090013541 0.00016579157
11400 100 0.0076519814 0.0076519814 0.0064604568 0.00035399997
11500 100 0.0067507315 0.0067507315 0.0057378868 0.00049116726
11600 100 0.0053146649 0.0053146649 0.0047005938 0.00019625233
11700 100 0.0044162463 0.0044162463 0.0039534657 0.00012548039
11800 100 0.0037025387 0.0037025387 0.0033604103 6.2969827e-05
11900 100 0.0032632211 0.0032632211 0.0030406641 8.1600622e-05
12000 100 0.0028944057 0.0028944057 0.0026875858 6.6435833e-05
12100 100 0.0027644728 0.0027644728 0.0025859762 5.5899271e-05
12200 100 0.002480367 0.002480367 0.0023685117 6.0201418e-05
12300 100 0.0024136475 0.0024136475 0.0023107986 4.4386874e-05
12400 100 0.0021911567 0.0021911567 0.0021413262 5.0213175e-05
12500 100 0.0019775905 0.0019775905 0.0019927698 0.00035250097
12600 100 0.0017410363 0.0017410363 0.001830428 5.7885177e-05
12700 100 0.0015749276 0.0015749276 0.0016816771 4.5530192e-05
12800 100 0.0015187705 0.0015187705 0.0016218625 4.0589413e-05
12900 100 0.0014778376 0.0014778376 0.001580232 4.0085455e-05
13000 100 0.0014693491 0.0014693491 0.0015681809 4.0407656e-05
13100 100 0.0014434495 0.0014434495 0.0015356278 5.7849212e-05
13200 100 0.0014121959 0.0014121959 0.0015058758 3.2720737e-05
13300 100 0.0012876041 0.0012876041 0.0013838998 3.7725702e-05
13400 100 0.0012304951 0.0012304951 0.0013373457 3.6784546e-05
13500 100 0.0011954303 0.0011954303 0.0012877627 3.6584963e-05
13600 100 0.0011028947 0.0011028947 0.0011955404 2.3767582e-05
13700 100 0.0010611762 0.0010611762 0.0011504675 3.485879e-05
13800 100 0.0010080835 0.0010080835 0.0010997919 3.7905404e-05
13900 100 0.00096495712 0.00096495712 0.0010530767 3.5273885e-05
14000 100 0.00094945029 0.00094945029 0.0010409175 3.3718395e-05
14100 100 0.00092386757 0.00092386757 0.0010217415 3.3313256e-05
14200 100 0.00088928389 0.00088928389 0.000983023 3.290941e-05
14300 100 0.00082696485 0.00082696485 0.00092690771 3.1651431e-05
14400 100 0.00081086188 0.00081086188 0.00091681096 3.1845632e-05
14500 100 0.00077732305 0.00077732305 0.00087592983 4.8087361e-05
14600 100 0.00073386005 0.00073386005 0.00082546873 3.0892065e-05
14700 100 0.00068701098 0.00068701098 0.00075953521 0.00010208859
14800 100 0.00065860451 0.00065860451 0.00073738846 2.9272912e-05
14900 100 0.00064706564 0.00064706564 0.00072748391 2.9817955e-05
15000 100 0.00064227996 0.00064227996 0.00070964586 3.2547768e-05
Loop time of 0.0840213 on 1 procs for 5000 steps with 100 atoms
Performance: 25707757.817 tau/day, 59508.699 timesteps/s
98.2% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.01004 | 0.01004 | 0.01004 | 0.0 | 11.95
Neigh | 0.0057366 | 0.0057366 | 0.0057366 | 0.0 | 6.83
Comm | 0.00086808 | 0.00086808 | 0.00086808 | 0.0 | 1.03
Output | 0.00049472 | 0.00049472 | 0.00049472 | 0.0 | 0.59
Modify | 0.060893 | 0.060893 | 0.060893 | 0.0 | 72.47
Other | | 0.005989 | | | 7.13
Nlocal: 100 ave 100 max 100 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: 151 ave 151 max 151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 151
Ave neighs/atom = 1.51
Neighbor list builds = 92
Dangerous builds = 0
region container delete
variable theta equal (step-15000)*(4.0*PI/5000)
region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1
run 5000
Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
Step Atoms Temp c_1 c_2 Press
15000 100 0.00064227996 0.00064227996 0.00070964586 3.2291286e-05
15100 100 0.81230775 0.81230775 0.53266834 0.010948517
15200 100 0.87957637 0.87957637 0.57559572 0.012401402
15300 100 1.0262431 1.0262431 0.66535656 0.015239294
15400 100 1.2863564 1.2863564 0.82026439 0.020115365
15500 100 1.4721549 1.4721549 0.92138954 0.022400442
15600 100 1.7140429 1.7140429 1.0103822 0.02558084
15700 100 1.8963287 1.8963287 1.0916756 0.032032318
15800 100 2.0741177 2.0741177 1.1706233 0.034251942
15900 100 2.1434733 2.1434733 1.2054242 0.030132271
16000 100 2.1409892 2.1409892 1.2019761 0.030914205
16100 100 2.2496058 2.2496058 1.2476438 0.030939743
16200 100 2.233356 2.233356 1.2499888 0.030097445
16300 100 2.2673491 2.2673491 1.272321 0.030968524
16400 100 2.3735648 2.3735648 1.3126117 0.034532377
16500 100 2.4510087 2.4510087 1.3588349 0.036685351
16600 100 2.497406 2.497406 1.3811443 0.032019982
16700 100 2.6800518 2.6800518 1.4661941 0.037455527
16800 100 2.8673997 2.8673997 1.5558303 0.03606532
16900 100 3.1229488 3.1229488 1.6918439 0.039753213
17000 100 3.117815 3.117815 1.6996841 0.046210837
17100 100 3.3336225 3.3336225 1.7834517 0.047865361
17200 100 3.1773164 3.1773164 1.7113961 0.047778334
17300 100 3.4336759 3.4336759 1.8343073 0.049673718
17400 100 3.3142326 3.3142326 1.7796613 0.055329946
17500 100 3.3205493 3.3205493 1.7853946 0.043558145
17600 100 3.2764553 3.2764553 1.7640702 0.051463316
17700 100 3.1909643 3.1909643 1.7407995 0.043248948
17800 100 3.1958324 3.1958324 1.735056 0.050123145
17900 100 3.2431806 3.2431806 1.7380638 0.050838878
18000 100 3.2967417 3.2967417 1.7705821 0.042176084
18100 100 3.4270672 3.4270672 1.8459819 0.043589925
18200 100 3.3638494 3.3638494 1.8159436 0.048949648
18300 100 3.3192279 3.3192279 1.8122198 0.043629595
18400 100 3.2627211 3.2627211 1.796316 0.045504529
18500 100 3.5669172 3.5669172 1.9257062 0.048460393
18600 100 3.5546411 3.5546411 1.9154318 0.046890968
18700 100 3.7288485 3.7288485 2.011106 0.046906531
18800 100 3.6800347 3.6800347 1.9936406 0.049985172
18900 100 3.7151898 3.7151898 2.007659 0.050394561
19000 100 3.9693368 3.9693368 2.1311549 0.053710204
19100 100 3.6907732 3.6907732 1.9939387 0.05480136
19200 100 3.8808777 3.8808777 2.0790125 0.055093552
19300 100 3.8422142 3.8422142 2.0756951 0.058090774
19400 100 3.7836875 3.7836875 2.0399805 0.06965907
19500 100 4.0480195 4.0480195 2.169214 0.053420651
19600 100 3.965917 3.965917 2.1245227 0.059077084
19700 100 3.8980869 3.8980869 2.0956306 0.050857062
19800 100 4.008079 4.008079 2.1501421 0.054938689
19900 100 3.7244506 3.7244506 2.0080877 0.055481507
20000 100 3.8146094 3.8146094 2.0541416 0.053187111
Loop time of 0.210396 on 1 procs for 5000 steps with 100 atoms
Performance: 10266363.999 tau/day, 23764.731 timesteps/s
98.3% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.013991 | 0.013991 | 0.013991 | 0.0 | 6.65
Neigh | 0.056947 | 0.056947 | 0.056947 | 0.0 | 27.07
Comm | 0.0013928 | 0.0013928 | 0.0013928 | 0.0 | 0.66
Output | 0.00054646 | 0.00054646 | 0.00054646 | 0.0 | 0.26
Modify | 0.13027 | 0.13027 | 0.13027 | 0.0 | 61.92
Other | | 0.007249 | | | 3.45
Nlocal: 100 ave 100 max 100 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: 144 ave 144 max 144 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 144
Ave neighs/atom = 1.44
Neighbor list builds = 910
Dangerous builds = 0
region container delete
region container block -6 6 -6 6 -6 6 units box
run 5000
Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes
Step Atoms Temp c_1 c_2 Press
20000 100 3.8146094 3.8146094 2.0541416 0.052956687
20100 100 1.3848453 1.3848453 0.82244153 0.017544632
20200 100 0.89469578 0.89469578 0.55929611 0.0111604
20300 100 0.83962013 0.83962013 0.52665461 0.010396174
20400 100 0.77264252 0.77264252 0.48961142 0.0095493901
20500 100 0.78613208 0.78613208 0.48683715 0.012166835
20600 100 0.88411633 0.88411633 0.52854942 0.011725323
20700 100 0.89833225 0.89833225 0.52549693 0.012193413
20800 100 0.90216089 0.90216089 0.51167019 0.014289685
20900 100 0.98665057 0.98665057 0.5468893 0.013794318
21000 100 0.7576342 0.7576342 0.42758791 0.011720156
21100 100 0.3821563 0.3821563 0.23426423 0.005324458
21200 100 0.17486973 0.17486973 0.12876582 0.0029726352
21300 100 0.17940562 0.17940562 0.12400155 0.0026179917
21400 100 0.15526876 0.15526876 0.10526802 0.002341177
21500 100 0.079493361 0.079493361 0.062289324 0.0017379534
21600 100 0.057299519 0.057299519 0.047939171 0.0020095941
21700 100 0.056900097 0.056900097 0.045799124 0.0017782068
21800 100 0.039847861 0.039847861 0.035138066 0.0018265057
21900 100 0.03919167 0.03919167 0.031815619 0.0012160098
22000 100 0.025499317 0.025499317 0.022126202 0.0010056809
22100 100 0.018956113 0.018956113 0.017843095 0.0016109368
22200 100 0.017337018 0.017337018 0.016063068 0.00042537508
22300 100 0.014785686 0.014785686 0.013007571 0.00049466367
22400 100 0.011754087 0.011754087 0.010399793 0.00042349151
22500 100 0.010362474 0.010362474 0.009077435 0.00025198478
22600 100 0.0089484896 0.0089484896 0.0079474121 0.00035239475
22700 100 0.0089936432 0.0089936432 0.0077908763 0.00018548371
22800 100 0.0068663718 0.0068663718 0.0064061667 0.00025641972
22900 100 0.0050272392 0.0050272392 0.0046676214 0.00040466013
23000 100 0.0049250142 0.0049250142 0.0044849467 0.00035704909
23100 100 0.0050508148 0.0050508148 0.0043117775 0.00030051828
23200 100 0.0037293467 0.0037293467 0.0033592517 0.00038108923
23300 100 0.0032823722 0.0032823722 0.0030511575 0.00040421775
23400 100 0.0026913866 0.0026913866 0.0025493429 9.2813733e-05
23500 100 0.0025590632 0.0025590632 0.0024466447 8.4695125e-05
23600 100 0.0025270441 0.0025270441 0.0024236554 8.4237376e-05
23700 100 0.0026406527 0.0026406527 0.0024501963 0.00015009901
23800 100 0.0024633391 0.0024633391 0.0023470594 3.8990761e-05
23900 100 0.0029505606 0.0029505606 0.0025122613 4.9810757e-05
24000 100 0.0019535519 0.0019535519 0.0019112421 3.5804751e-05
24100 100 0.0017505151 0.0017505151 0.001726233 2.380737e-05
24200 100 0.0015864857 0.0015864857 0.0015479949 1.963276e-05
24300 100 0.0014535898 0.0014535898 0.0014221262 3.6607862e-05
24400 100 0.0013744934 0.0013744934 0.0013523293 1.4522467e-05
24500 100 0.0013286378 0.0013286378 0.0013097089 3.2389792e-05
24600 100 0.0012093624 0.0012093624 0.0011617482 4.848694e-05
24700 100 0.0011817062 0.0011817062 0.0011409092 3.8898899e-05
24800 100 0.0011142524 0.0011142524 0.0010877723 1.4560662e-05
24900 100 0.0010941199 0.0010941199 0.0010614415 7.0209336e-05
25000 100 0.0010773559 0.0010773559 0.0010389783 1.3332279e-05
Loop time of 0.0912137 on 1 procs for 5000 steps with 100 atoms
Performance: 23680652.416 tau/day, 54816.325 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.010053 | 0.010053 | 0.010053 | 0.0 | 11.02
Neigh | 0.017597 | 0.017597 | 0.017597 | 0.0 | 19.29
Comm | 0.00092912 | 0.00092912 | 0.00092912 | 0.0 | 1.02
Output | 0.00049806 | 0.00049806 | 0.00049806 | 0.0 | 0.55
Modify | 0.056085 | 0.056085 | 0.056085 | 0.0 | 61.49
Other | | 0.006052 | | | 6.63
Nlocal: 100 ave 100 max 100 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: 143 ave 143 max 143 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 143
Ave neighs/atom = 1.43
Neighbor list builds = 289
Dangerous builds = 0
Total wall time: 0:00:00
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examples/hugoniostat/in.hugoniostat
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...@@ -15,7 +15,7 @@ ...@@ -15,7 +15,7 @@
units lj units lj
boundary p p p boundary p p p
atom_style atomic atom_style atomic
# Set up FCC lattice with z axis along <110> # Set up FCC lattice with z axis along <110>
...@@ -39,10 +39,10 @@ pair_coeff * * 1.0 0.8908987 ...@@ -39,10 +39,10 @@ pair_coeff * * 1.0 0.8908987
fix 3 all box/relax aniso 0.0 vmax 1.0e-4 nreset 100 fix 3 all box/relax aniso 0.0 vmax 1.0e-4 nreset 100
thermo 100 thermo 100
thermo_style custom step temp pe etotal pxx pyy pzz lx ly lz thermo_style custom step temp pe etotal pxx pyy pzz lx ly lz
min_modify line quadratic min_modify line quadratic
minimize 0.0 1.0e-6 10000 100000 minimize 0.0 1.0e-6 10000 100000
# Define initial velocity # Define initial velocity
...@@ -51,8 +51,6 @@ write_restart restart.equil ...@@ -51,8 +51,6 @@ write_restart restart.equil
# Start Run #1 # Start Run #1
log log.nodrag
clear clear
read_restart restart.equil read_restart restart.equil
...@@ -87,22 +85,20 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v ...@@ -87,22 +85,20 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v
fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (no drag)' fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (no drag)'
#dump id all atom 500 dump.hugoniostat #dump id all atom 500 dump.hugoniostat
#dump 2 all image 500 image.*.jpg type type & #dump 2 all image 500 image.*.jpg type type &
# axes yes 0.8 0.02 view 60 -30 # axes yes 0.8 0.02 view 60 -30
#dump_modify 2 pad 5 #dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type & #dump 3 all movie 500 movie.mpg type type &
# axes yes 0.8 0.02 view 60 -30 # axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 5 #dump_modify 3 pad 5
run 10000 run 10000
# Start Run #2 # Start Run #2
log log.drag
clear clear
read_restart restart.equil read_restart restart.equil
...@@ -137,12 +133,10 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v ...@@ -137,12 +133,10 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v
fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (with drag)' fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (with drag)'
run 10000 run 10000
# Start Run #3 # Start Run #3
log log.nhchains
clear clear
read_restart restart.equil read_restart restart.equil
...@@ -177,5 +171,5 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v ...@@ -177,5 +171,5 @@ thermo_style custom step temp ke epair etotal pzz v_tau lz f_myhug v_dele v_us v
fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (Nose-Hoover chain)' fix stress all print 10 "${time} ${pzz} ${tau} " screen no append stress_vs_t.dat title '#time pzz tau (Nose-Hoover chain)'
run 10000 run 10000
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examples/indent/log.5Oct16.indent.g++.1 → examples/indent/log.27Nov18.indent.g++.1
+ 31
− 24
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LAMMPS (5 Oct 2016) LAMMPS (27 Nov 2018)
using 1 OpenMP thread(s) per MPI task
# 2d indenter simulation # 2d indenter simulation
dimension 2 dimension 2
...@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174) ...@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
1 by 1 by 1 MPI processor grid 1 by 1 by 1 MPI processor grid
create_atoms 1 box create_atoms 1 box
Created 420 atoms Created 420 atoms
Time spent = 0.000351191 secs
mass 1 1.0 mass 1 1.0
mass 2 1.0 mass 2 1.0
...@@ -57,7 +59,7 @@ fix 5 all enforce2d ...@@ -57,7 +59,7 @@ fix 5 all enforce2d
thermo 1000 thermo 1000
thermo_modify temp new thermo_modify temp new
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474) WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
#dump 1 all atom 250 dump.indent #dump 1 all atom 250 dump.indent
...@@ -69,13 +71,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474 ...@@ -69,13 +71,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
run 30000 run 30000
Neighbor list info ... Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 5 steps, check yes update every 1 steps, delay 5 steps, check yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8 master list distance cutoff = 2.8
ghost atom cutoff = 2.8 ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 17 15 1 binsize = 1.4, bins = 17 15 1
Memory usage per processor = 2.4697 Mbytes 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/2d/newton
bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.043 | 3.043 | 3.043 Mbytes
Step Temp E_pair E_mol TotEng Press Volume Step Temp E_pair E_mol TotEng Press Volume
0 0.2 -3.1727576 0 -3.0018052 -1.436185 444.53333 0 0.2 -3.1727576 0 -3.0018052 -1.436185 444.53333
1000 0.11974254 -3.0876892 0 -2.9853378 -0.037059247 440.78771 1000 0.11974254 -3.0876892 0 -2.9853378 -0.037059247 440.78771
...@@ -108,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -108,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press Volume
28000 0.1183178 -3.0017823 0 -2.9006488 1.3477212 474.08453 28000 0.1183178 -3.0017823 0 -2.9006488 1.3477212 474.08453
29000 0.118332 -2.9855957 0 -2.88445 1.4002777 478.49231 29000 0.118332 -2.9855957 0 -2.88445 1.4002777 478.49231
30000 0.11691453 -2.9721091 0 -2.872175 1.6266108 479.0394 30000 0.11691453 -2.9721091 0 -2.872175 1.6266108 479.0394
Loop time of 2.36919 on 1 procs for 30000 steps with 420 atoms Loop time of 2.58797 on 1 procs for 30000 steps with 420 atoms
Performance: 3282134.431 tau/day, 12662.556 timesteps/s Performance: 3004676.853 tau/day, 11592.117 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads 99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 1.7824 | 1.7824 | 1.7824 | 0.0 | 75.23 Pair | 1.7803 | 1.7803 | 1.7803 | 0.0 | 68.79
Neigh | 0.073035 | 0.073035 | 0.073035 | 0.0 | 3.08 Neigh | 0.074505 | 0.074505 | 0.074505 | 0.0 | 2.88
Comm | 0.023414 | 0.023414 | 0.023414 | 0.0 | 0.99 Comm | 0.038266 | 0.038266 | 0.038266 | 0.0 | 1.48
Output | 0.00027108 | 0.00027108 | 0.00027108 | 0.0 | 0.01 Output | 0.00033927 | 0.00033927 | 0.00033927 | 0.0 | 0.01
Modify | 0.42744 | 0.42744 | 0.42744 | 0.0 | 18.04 Modify | 0.61562 | 0.61562 | 0.61562 | 0.0 | 23.79
Other | | 0.06268 | | | 2.65 Other | | 0.07897 | | | 3.05
Nlocal: 420 ave 420 max 420 min Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
...@@ -139,7 +146,7 @@ Dangerous builds = 0 ...@@ -139,7 +146,7 @@ Dangerous builds = 0
unfix 4 unfix 4
run 30000 run 30000
Memory usage per processor = 2.46978 Mbytes Per MPI rank memory allocation (min/avg/max) = 3.043 | 3.043 | 3.043 Mbytes
Step Temp E_pair E_mol TotEng Press Volume Step Temp E_pair E_mol TotEng Press Volume
30000 0.11691453 -2.9721091 0 -2.872175 1.6267079 479.0108 30000 0.11691453 -2.9721091 0 -2.872175 1.6267079 479.0108
31000 0.10925212 -3.0270482 0 -2.9336637 -0.33277278 488.93429 31000 0.10925212 -3.0270482 0 -2.9336637 -0.33277278 488.93429
...@@ -172,20 +179,20 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -172,20 +179,20 @@ Step Temp E_pair E_mol TotEng Press Volume
58000 0.10703451 -3.04105 0 -2.949561 -0.2673909 482.03847 58000 0.10703451 -3.04105 0 -2.949561 -0.2673909 482.03847
59000 0.11041464 -3.0439806 0 -2.9496023 -0.17616699 481.33957 59000 0.11041464 -3.0439806 0 -2.9496023 -0.17616699 481.33957
60000 0.12014097 -3.05226 0 -2.949568 -0.21176633 481.15213 60000 0.12014097 -3.05226 0 -2.949568 -0.21176633 481.15213
Loop time of 2.11008 on 1 procs for 30000 steps with 420 atoms Loop time of 2.20628 on 1 procs for 30000 steps with 420 atoms
Performance: 3685166.663 tau/day, 14217.464 timesteps/s Performance: 3524485.426 tau/day, 13597.552 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads 99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 1.7612 | 1.7612 | 1.7612 | 0.0 | 83.46 Pair | 1.7599 | 1.7599 | 1.7599 | 0.0 | 79.77
Neigh | 0.072587 | 0.072587 | 0.072587 | 0.0 | 3.44 Neigh | 0.074152 | 0.074152 | 0.074152 | 0.0 | 3.36
Comm | 0.023835 | 0.023835 | 0.023835 | 0.0 | 1.13 Comm | 0.037216 | 0.037216 | 0.037216 | 0.0 | 1.69
Output | 0.00023365 | 0.00023365 | 0.00023365 | 0.0 | 0.01 Output | 0.00033259 | 0.00033259 | 0.00033259 | 0.0 | 0.02
Modify | 0.19556 | 0.19556 | 0.19556 | 0.0 | 9.27 Modify | 0.25688 | 0.25688 | 0.25688 | 0.0 | 11.64
Other | | 0.05669 | | | 2.69 Other | | 0.07779 | | | 3.53
Nlocal: 420 ave 420 max 420 min Nlocal: 420 ave 420 max 420 min
Histogram: 1 0 0 0 0 0 0 0 0 0 Histogram: 1 0 0 0 0 0 0 0 0 0
......
examples/indent/log.5Oct16.indent.g++.4 → examples/indent/log.27Nov18.indent.g++.4
+ 32
− 25
View file @ c763916f
LAMMPS (5 Oct 2016) LAMMPS (27 Nov 2018)
using 1 OpenMP thread(s) per MPI task
# 2d indenter simulation # 2d indenter simulation
dimension 2 dimension 2
...@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174) ...@@ -18,6 +19,7 @@ Created orthogonal box = (0 0 -0.283174) to (22.6539 19.6189 0.283174)
2 by 2 by 1 MPI processor grid 2 by 2 by 1 MPI processor grid
create_atoms 1 box create_atoms 1 box
Created 420 atoms Created 420 atoms
Time spent = 0.00031352 secs
mass 1 1.0 mass 1 1.0
mass 2 1.0 mass 2 1.0
...@@ -57,7 +59,7 @@ fix 5 all enforce2d ...@@ -57,7 +59,7 @@ fix 5 all enforce2d
thermo 1000 thermo 1000
thermo_modify temp new thermo_modify temp new
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474) WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488)
#dump 1 all atom 250 dump.indent #dump 1 all atom 250 dump.indent
...@@ -69,13 +71,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474 ...@@ -69,13 +71,18 @@ WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474
run 30000 run 30000
Neighbor list info ... Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 5 steps, check yes update every 1 steps, delay 5 steps, check yes
max neighbors/atom: 2000, page size: 100000 max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8 master list distance cutoff = 2.8
ghost atom cutoff = 2.8 ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 17 15 1 binsize = 1.4, bins = 17 15 1
Memory usage per processor = 2.47636 Mbytes 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/2d/newton
bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.047 | 3.047 | 3.047 Mbytes
Step Temp E_pair E_mol TotEng Press Volume Step Temp E_pair E_mol TotEng Press Volume
0 0.2 -3.1727576 0 -3.0018052 -1.436185 444.53333 0 0.2 -3.1727576 0 -3.0018052 -1.436185 444.53333
1000 0.11573595 -3.0964873 0 -2.9975606 -0.20448672 441.83732 1000 0.11573595 -3.0964873 0 -2.9975606 -0.20448672 441.83732
...@@ -108,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -108,20 +115,20 @@ Step Temp E_pair E_mol TotEng Press Volume
28000 0.11718062 -2.993818 0 -2.8936565 1.143781 478.94786 28000 0.11718062 -2.993818 0 -2.8936565 1.143781 478.94786
29000 0.10922042 -2.9873887 0 -2.8940313 1.6184815 473.13968 29000 0.10922042 -2.9873887 0 -2.8940313 1.6184815 473.13968
30000 0.11475456 -2.9749758 0 -2.876888 1.8682946 472.49357 30000 0.11475456 -2.9749758 0 -2.876888 1.8682946 472.49357
Loop time of 1.05783 on 4 procs for 30000 steps with 420 atoms Loop time of 1.15893 on 4 procs for 30000 steps with 420 atoms
Performance: 7350928.409 tau/day, 28360.063 timesteps/s Performance: 6709635.246 tau/day, 25885.938 timesteps/s
99.2% CPU use with 4 MPI tasks x no OpenMP threads 97.7% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.40826 | 0.46628 | 0.5198 | 6.6 | 44.08 Pair | 0.39848 | 0.4603 | 0.53798 | 8.6 | 39.72
Neigh | 0.017807 | 0.019817 | 0.021682 | 1.1 | 1.87 Neigh | 0.018286 | 0.020391 | 0.022765 | 1.4 | 1.76
Comm | 0.22255 | 0.26884 | 0.31893 | 8.2 | 25.41 Comm | 0.18903 | 0.27493 | 0.34712 | 13.2 | 23.72
Output | 0.0005722 | 0.00060749 | 0.00070214 | 0.2 | 0.06 Output | 0.00055623 | 0.00077116 | 0.0014129 | 0.0 | 0.07
Modify | 0.18744 | 0.19364 | 0.20341 | 1.5 | 18.31 Modify | 0.28166 | 0.29302 | 0.30362 | 1.5 | 25.28
Other | | 0.1086 | | | 10.27 Other | | 0.1095 | | | 9.45
Nlocal: 105 ave 115 max 90 min Nlocal: 105 ave 115 max 90 min
Histogram: 1 0 0 0 1 0 0 0 0 2 Histogram: 1 0 0 0 1 0 0 0 0 2
...@@ -139,7 +146,7 @@ Dangerous builds = 0 ...@@ -139,7 +146,7 @@ Dangerous builds = 0
unfix 4 unfix 4
run 30000 run 30000
Memory usage per processor = 2.47641 Mbytes Per MPI rank memory allocation (min/avg/max) = 3.047 | 3.048 | 3.048 Mbytes
Step Temp E_pair E_mol TotEng Press Volume Step Temp E_pair E_mol TotEng Press Volume
30000 0.11475456 -2.9749758 0 -2.876888 1.8675667 472.67773 30000 0.11475456 -2.9749758 0 -2.876888 1.8675667 472.67773
31000 0.11574891 -3.0442299 0 -2.9452921 -0.72600606 489.16618 31000 0.11574891 -3.0442299 0 -2.9452921 -0.72600606 489.16618
...@@ -172,20 +179,20 @@ Step Temp E_pair E_mol TotEng Press Volume ...@@ -172,20 +179,20 @@ Step Temp E_pair E_mol TotEng Press Volume
58000 0.11858604 -3.0812503 0 -2.9798874 -0.17502776 463.2168 58000 0.11858604 -3.0812503 0 -2.9798874 -0.17502776 463.2168
59000 0.11344551 -3.0768536 0 -2.9798847 -0.32382437 465.29204 59000 0.11344551 -3.0768536 0 -2.9798847 -0.32382437 465.29204
60000 0.11637998 -3.0793607 0 -2.9798836 -0.45942931 466.04868 60000 0.11637998 -3.0793607 0 -2.9798836 -0.45942931 466.04868
Loop time of 0.87344 on 4 procs for 30000 steps with 420 atoms Loop time of 0.903556 on 4 procs for 30000 steps with 420 atoms
Performance: 8902734.020 tau/day, 34346.968 timesteps/s Performance: 8605992.311 tau/day, 33202.131 timesteps/s
99.3% CPU use with 4 MPI tasks x no OpenMP threads 97.8% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown: MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total Section | min time | avg time | max time |%varavg| %total
--------------------------------------------------------------- ---------------------------------------------------------------
Pair | 0.38824 | 0.45201 | 0.49914 | 6.9 | 51.75 Pair | 0.3899 | 0.45567 | 0.53041 | 8.7 | 50.43
Neigh | 0.0175 | 0.020234 | 0.022472 | 1.5 | 2.32 Neigh | 0.017401 | 0.021048 | 0.024747 | 2.1 | 2.33
Comm | 0.21322 | 0.26426 | 0.33067 | 10.0 | 30.25 Comm | 0.17915 | 0.26432 | 0.34168 | 13.8 | 29.25
Output | 0.00049305 | 0.00051773 | 0.00058699 | 0.2 | 0.06 Output | 0.00051928 | 0.00093985 | 0.0021935 | 0.0 | 0.10
Modify | 0.04793 | 0.053404 | 0.05745 | 1.8 | 6.11 Modify | 0.067609 | 0.075224 | 0.08228 | 2.4 | 8.33
Other | | 0.08302 | | | 9.50 Other | | 0.08635 | | | 9.56
Nlocal: 105 ave 112 max 98 min Nlocal: 105 ave 112 max 98 min
Histogram: 1 0 1 0 0 0 0 1 0 1 Histogram: 1 0 1 0 0 0 0 1 0 1
...@@ -198,4 +205,4 @@ Total # of neighbors = 3569 ...@@ -198,4 +205,4 @@ Total # of neighbors = 3569
Ave neighs/atom = 8.49762 Ave neighs/atom = 8.49762
Neighbor list builds = 634 Neighbor list builds = 634
Dangerous builds = 0 Dangerous builds = 0
Total wall time: 0:00:01 Total wall time: 0:00:02
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