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clean up doc src

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This commit is contained in:
Steve Plimpton
2016-10-06 13:00:46 -06:00
parent 02bfa898ee
commit 493873fb93
458 changed files with 16897 additions and 11014 deletions
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26
examples/pour/log.15Feb16.pour.2d.g++.1 → examples/pour/log.5Oct16.pour.2d.g++.1
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# Pour 2d granular particles into container
dimension 2
@ -27,8 +27,8 @@ timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
region slab block 1.0 99.0 30 34.5 -0.5 0.5 units box
fix ins all pour 1000 1 4767548 vol 0.4 10 diam range 0.5 1.0 region slab
@ -58,8 +58,8 @@ Neighbor list info ...
master list distance cutoff = 1.2
ghost atom cutoff = 1.2
binsize = 0.6 -> bins = 167 84 2
Memory usage per processor = 2.75187 Mbytes
Step Atoms KinEng 1 Volume
Memory usage per processor = 2.75186 Mbytes
Step Atoms KinEng c_1 Volume
0 0 -0 0 5000
1000 224 201.77464 0 5000
2000 224 372.42868 0 5000
@ -86,20 +86,20 @@ Step Atoms KinEng 1 Volume
23000 1000 16.115382 7.9435503 5000
24000 1000 11.971003 5.9411126 5000
25000 1000 10.404117 4.3811155 5000
Loop time of 3.04462 on 1 procs for 25000 steps with 1000 atoms
Loop time of 3.00132 on 1 procs for 25000 steps with 1000 atoms
Performance: 709447.910 tau/day, 8211.203 timesteps/s
Performance: 719682.852 tau/day, 8329.663 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.2896 | 1.2896 | 1.2896 | 0.0 | 42.36
Neigh | 0.40714 | 0.40714 | 0.40714 | 0.0 | 13.37
Comm | 0.0080216 | 0.0080216 | 0.0080216 | 0.0 | 0.26
Output | 0.00042129 | 0.00042129 | 0.00042129 | 0.0 | 0.01
Modify | 1.2178 | 1.2178 | 1.2178 | 0.0 | 40.00
Other | | 0.1217 | | | 4.00
Pair | 1.2554 | 1.2554 | 1.2554 | 0.0 | 41.83
Neigh | 0.4288 | 0.4288 | 0.4288 | 0.0 | 14.29
Comm | 0.0078034 | 0.0078034 | 0.0078034 | 0.0 | 0.26
Output | 0.0003016 | 0.0003016 | 0.0003016 | 0.0 | 0.01
Modify | 1.177 | 1.177 | 1.177 | 0.0 | 39.21
Other | | 0.132 | | | 4.40
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

28
examples/pour/log.15Feb16.pour.2d.g++.4 → examples/pour/log.5Oct16.pour.2d.g++.4
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# Pour 2d granular particles into container
dimension 2
@ -27,8 +27,8 @@ timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
region slab block 1.0 99.0 30 34.5 -0.5 0.5 units box
fix ins all pour 1000 1 4767548 vol 0.4 10 diam range 0.5 1.0 region slab
@ -58,8 +58,8 @@ Neighbor list info ...
master list distance cutoff = 1.2
ghost atom cutoff = 1.2
binsize = 0.6 -> bins = 167 84 2
Memory usage per processor = 2.71741 Mbytes
Step Atoms KinEng 1 Volume
Memory usage per processor = 2.7174 Mbytes
Step Atoms KinEng c_1 Volume
0 0 -0 0 5000
1000 224 201.77464 0 5000
2000 224 372.42868 0 5000
@ -86,20 +86,20 @@ Step Atoms KinEng 1 Volume
23000 1000 11.97674 5.2548063 5000
24000 1000 7.8974699 3.7396899 5000
25000 1000 6.1288038 2.2056805 5000
Loop time of 0.977215 on 4 procs for 25000 steps with 1000 atoms
Loop time of 0.974647 on 4 procs for 25000 steps with 1000 atoms
Performance: 2210364.086 tau/day, 25582.918 timesteps/s
98.8% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 2216187.157 tau/day, 25650.314 timesteps/s
99.4% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.30766 | 0.33267 | 0.35001 | 3.1 | 34.04
Neigh | 0.094669 | 0.1019 | 0.10693 | 1.6 | 10.43
Comm | 0.060945 | 0.078421 | 0.097028 | 5.5 | 8.02
Output | 0.00042653 | 0.00045699 | 0.00049639 | 0.1 | 0.05
Modify | 0.2936 | 0.30701 | 0.31712 | 1.7 | 31.42
Other | | 0.1568 | | | 16.04
Pair | 0.29556 | 0.31544 | 0.33654 | 3.0 | 32.36
Neigh | 0.10012 | 0.10782 | 0.11355 | 1.7 | 11.06
Comm | 0.081835 | 0.087606 | 0.098412 | 2.2 | 8.99
Output | 0.00039244 | 0.00043273 | 0.0004766 | 0.2 | 0.04
Modify | 0.28155 | 0.29814 | 0.31262 | 2.2 | 30.59
Other | | 0.1652 | | | 16.95
Nlocal: 250 ave 267 max 232 min
Histogram: 1 0 0 0 1 1 0 0 0 1

68
examples/pour/log.15Feb16.pour.2d.molecule.g++.1 → examples/pour/log.5Oct16.pour.2d.molecule.g++.1
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# Pour 2d granular particles into container
dimension 2
@ -29,8 +29,8 @@ pair_coeff * *
timestep 0.001
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
molecule object molecule.vshape
Read molecule object:
@ -80,47 +80,47 @@ Neighbor list info ...
ghost atom cutoff = 2.5
binsize = 0.6 -> bins = 167 84 2
Memory usage per processor = 2.75807 Mbytes
Step Atoms KinEng 1 Volume
Step Atoms KinEng c_1 Volume
0 0 -0 0 5000
1000 130 259.24123 2.3772821e-30 5000
2000 130 465.39775 9.5010246e-30 5000
3000 130 736.55426 2.1365791e-29 5000
4000 260 1274.295 6.045774e-05 5000
5000 260 1855.4991 0.0021687846 5000
6000 260 1936.8934 6.9705094 5000
7000 390 1909.1519 11.402993 5000
8000 390 1958.2549 10.910611 5000
9000 390 1968.6293 14.080709 5000
10000 520 2278.4559 8.2512574 5000
11000 520 1952.4436 6.8525602 5000
12000 520 1391.9826 3.6742003 5000
13000 650 1608.9033 2.2121034 5000
14000 650 1562.8758 2.9284792 5000
15000 650 1549.101 2.432552 5000
16000 780 1718.9486 2.339785 5000
17000 780 1646.7053 5.1414663 5000
18000 780 1441.0842 3.7040072 5000
19000 910 1546.6435 2.5109623 5000
20000 910 1379.5416 4.2028322 5000
21000 910 1155.2864 2.05953 5000
22000 1040 1237.0246 3.0494101 5000
23000 1040 1160.8301 3.0040354 5000
24000 1040 1192.673 1.6310726 5000
25000 1170 1128.3916 3.3745733 5000
Loop time of 3.24674 on 1 procs for 25000 steps with 1170 atoms
6000 260 1743.415 1.9678991 5000
7000 390 1675.8228 2.0085353 5000
8000 390 1845.2936 2.678293 5000
9000 390 1747.0301 2.5461774 5000
10000 520 2204.3744 1.3847146 5000
11000 520 1872.5943 6.5018283 5000
12000 520 1448.8705 3.2789997 5000
13000 650 1687.7845 2.4723994 5000
14000 650 1534.5832 1.7381523 5000
15000 650 1517.5812 2.4425352 5000
16000 780 1681.4276 3.5245463 5000
17000 780 1660.4845 3.5652485 5000
18000 780 1400.1788 4.1717202 5000
19000 910 1525.4386 3.2537276 5000
20000 910 1326.4257 3.5226044 5000
21000 910 1125.4321 3.1564949 5000
22000 1040 1262.0253 1.6097601 5000
23000 1040 1042.7 3.1078701 5000
24000 1040 1167.4717 1.4954047 5000
25000 1170 1214.9087 2.4525541 5000
Loop time of 3.19438 on 1 procs for 25000 steps with 1170 atoms
Performance: 665282.302 tau/day, 7700.027 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
Performance: 676187.595 tau/day, 7826.245 timesteps/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.90701 | 0.90701 | 0.90701 | 0.0 | 27.94
Neigh | 0.25099 | 0.25099 | 0.25099 | 0.0 | 7.73
Comm | 0.010076 | 0.010076 | 0.010076 | 0.0 | 0.31
Output | 0.00050974 | 0.00050974 | 0.00050974 | 0.0 | 0.02
Modify | 1.9744 | 1.9744 | 1.9744 | 0.0 | 60.81
Other | | 0.1038 | | | 3.20
Pair | 0.87733 | 0.87733 | 0.87733 | 0.0 | 27.46
Neigh | 0.25913 | 0.25913 | 0.25913 | 0.0 | 8.11
Comm | 0.0095103 | 0.0095103 | 0.0095103 | 0.0 | 0.30
Output | 0.00043368 | 0.00043368 | 0.00043368 | 0.0 | 0.01
Modify | 1.941 | 1.941 | 1.941 | 0.0 | 60.76
Other | | 0.107 | | | 3.35
Nlocal: 1170 ave 1170 max 1170 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -131,6 +131,6 @@ Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1699
Ave neighs/atom = 1.45214
Neighbor list builds = 1737
Neighbor list builds = 1715
Dangerous builds = 0
Total wall time: 0:00:03

82
examples/pour/log.15Feb16.pour.2d.molecule.g++.4 → examples/pour/log.5Oct16.pour.2d.molecule.g++.4
View File

@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# Pour 2d granular particles into container
dimension 2
@ -29,8 +29,8 @@ pair_coeff * *
timestep 0.001
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
molecule object molecule.vshape
Read molecule object:
@ -80,57 +80,57 @@ Neighbor list info ...
ghost atom cutoff = 2.5
binsize = 0.6 -> bins = 167 84 2
Memory usage per processor = 2.72041 Mbytes
Step Atoms KinEng 1 Volume
Step Atoms KinEng c_1 Volume
0 0 -0 0 5000
1000 130 259.24123 2.3773387e-30 5000
2000 130 465.39775 9.5010816e-30 5000
3000 130 736.55426 2.1365846e-29 5000
4000 260 1274.295 6.045774e-05 5000
5000 260 1855.4991 0.0021687846 5000
6000 260 1936.8934 6.9705094 5000
7000 390 1909.1519 11.402993 5000
8000 390 1958.2549 10.910611 5000
9000 390 1968.6293 14.080709 5000
10000 520 2278.4559 8.2512574 5000
11000 520 1952.4436 6.8525602 5000
12000 520 1391.9826 3.6742003 5000
13000 650 1608.8924 2.2123232 5000
14000 650 1562.872 2.9306477 5000
15000 650 1548.2428 2.4495128 5000
16000 780 1712.8658 2.2773941 5000
17000 780 1649.1423 4.9833774 5000
18000 780 1421.6645 4.0064802 5000
19000 910 1574.37 2.4833854 5000
20000 910 1354.8838 5.1248395 5000
21000 910 1156.7385 2.5239056 5000
22000 1040 1233.7916 2.9364978 5000
23000 1040 1150.2238 2.5059515 5000
24000 1040 1224.372 1.6145537 5000
25000 1170 1202.871 2.6775319 5000
Loop time of 1.18423 on 4 procs for 25000 steps with 1170 atoms
6000 260 1743.415 1.9678991 5000
7000 390 1675.8228 2.0085353 5000
8000 390 1845.2936 2.678293 5000
9000 390 1747.0301 2.5461774 5000
10000 520 2204.3744 1.3847146 5000
11000 520 1872.5943 6.5018283 5000
12000 520 1448.8705 3.2789997 5000
13000 650 1687.7845 2.4723994 5000
14000 650 1534.5832 1.7381523 5000
15000 650 1517.5812 2.4425352 5000
16000 780 1680.8761 3.5506853 5000
17000 780 1661.6046 3.6673972 5000
18000 780 1391.3201 4.1075002 5000
19000 910 1526.6687 3.410537 5000
20000 910 1387.6908 2.7370047 5000
21000 910 1056.6723 2.5690119 5000
22000 1040 1226.7461 1.2299974 5000
23000 1040 1106.7165 3.1057108 5000
24000 1040 1161.9203 2.0994962 5000
25000 1170 1187.5093 2.959617 5000
Loop time of 1.20622 on 4 procs for 25000 steps with 1170 atoms
Performance: 1823968.216 tau/day, 21110.743 timesteps/s
99.1% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 1790713.641 tau/day, 20725.852 timesteps/s
99.4% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.22024 | 0.23723 | 0.25431 | 2.6 | 20.03
Neigh | 0.057575 | 0.064853 | 0.070241 | 1.8 | 5.48
Comm | 0.068985 | 0.082663 | 0.097154 | 3.9 | 6.98
Output | 0.00060296 | 0.00069225 | 0.0009203 | 0.5 | 0.06
Modify | 0.67185 | 0.6862 | 0.69518 | 1.1 | 57.94
Other | | 0.1126 | | | 9.51
Pair | 0.22275 | 0.23039 | 0.23778 | 1.1 | 19.10
Neigh | 0.064599 | 0.067646 | 0.069656 | 0.7 | 5.61
Comm | 0.079895 | 0.092342 | 0.10857 | 3.5 | 7.66
Output | 0.00061584 | 0.00065601 | 0.00075412 | 0.2 | 0.05
Modify | 0.69333 | 0.69728 | 0.70102 | 0.3 | 57.81
Other | | 0.1179 | | | 9.78
Nlocal: 292.5 ave 304 max 278 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Nghost: 42.5 ave 58 max 27 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs: 427 ave 456 max 388 min
Nlocal: 292.5 ave 296 max 285 min
Histogram: 1 0 0 0 0 0 0 0 1 2
Nghost: 44 ave 60 max 21 min
Histogram: 1 0 0 1 0 0 0 0 0 2
Neighs: 433.25 ave 449 max 418 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Total # of neighbors = 1708
Ave neighs/atom = 1.45983
Neighbor list builds = 1732
Total # of neighbors = 1733
Ave neighs/atom = 1.4812
Neighbor list builds = 1708
Dangerous builds = 0
Total wall time: 0:00:01

44
examples/pour/log.15Feb16.pour.g++.1 → examples/pour/log.5Oct16.pour.g++.1
View File

@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# Pour granular particles into chute container, then induce flow
atom_style sphere
@ -26,7 +26,7 @@ timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix zlower all wall/gran 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
fix zlower all wall/gran hooke/history 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box
fix ins all pour 3000 1 300719 vol 0.13 50 region slab
@ -55,7 +55,7 @@ Neighbor list info ...
ghost atom cutoff = 1.2
binsize = 0.6 -> bins = 34 34 28
Memory usage per processor = 2.90017 Mbytes
Step Atoms KinEng 1 Volume
Step Atoms KinEng c_1 Volume
0 0 -0 0 6600
1000 402 768.04606 0 6600
2000 402 1407.1714 0 6600
@ -82,20 +82,20 @@ Step Atoms KinEng 1 Volume
23000 3000 446.47658 39.719019 6600
24000 3000 331.57201 24.034747 6600
25000 3000 239.90493 18.457205 6600
Loop time of 9.98164 on 1 procs for 25000 steps with 3000 atoms
Loop time of 9.8391 on 1 procs for 25000 steps with 3000 atoms
Performance: 216397.236 tau/day, 2504.598 timesteps/s
Performance: 219532.250 tau/day, 2540.883 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.5892 | 5.5892 | 5.5892 | 0.0 | 55.99
Neigh | 1.5595 | 1.5595 | 1.5595 | 0.0 | 15.62
Comm | 0.21001 | 0.21001 | 0.21001 | 0.0 | 2.10
Output | 0.00055695 | 0.00055695 | 0.00055695 | 0.0 | 0.01
Modify | 2.3514 | 2.3514 | 2.3514 | 0.0 | 23.56
Other | | 0.271 | | | 2.71
Pair | 5.5009 | 5.5009 | 5.5009 | 0.0 | 55.91
Neigh | 1.57 | 1.57 | 1.57 | 0.0 | 15.96
Comm | 0.20079 | 0.20079 | 0.20079 | 0.0 | 2.04
Output | 0.00048852 | 0.00048852 | 0.00048852 | 0.0 | 0.00
Modify | 2.2916 | 2.2916 | 2.2916 | 0.0 | 23.29
Other | | 0.2752 | | | 2.80
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -112,8 +112,8 @@ Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 7.37566 Mbytes
Step Atoms KinEng 1 Volume
Memory usage per processor = 7.31316 Mbytes
Step Atoms KinEng c_1 Volume
25000 3000 239.90493 18.457205 6600
26000 3000 86.453151 19.990229 6600
27000 3000 104.03763 12.243926 6600
@ -140,20 +140,20 @@ Step Atoms KinEng 1 Volume
48000 3000 16184.643 202.00907 6600
49000 3000 17573.204 215.30429 6600
50000 3000 19117.749 232.28939 6600
Loop time of 19.1635 on 1 procs for 25000 steps with 3000 atoms
Loop time of 18.9367 on 1 procs for 25000 steps with 3000 atoms
Performance: 112714.075 tau/day, 1304.561 timesteps/s
Performance: 114064.182 tau/day, 1320.187 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 12.221 | 12.221 | 12.221 | 0.0 | 63.77
Neigh | 2.2719 | 2.2719 | 2.2719 | 0.0 | 11.86
Comm | 0.44526 | 0.44526 | 0.44526 | 0.0 | 2.32
Output | 0.00094628 | 0.00094628 | 0.00094628 | 0.0 | 0.00
Modify | 3.7599 | 3.7599 | 3.7599 | 0.0 | 19.62
Other | | 0.4643 | | | 2.42
Pair | 12.058 | 12.058 | 12.058 | 0.0 | 63.68
Neigh | 2.3177 | 2.3177 | 2.3177 | 0.0 | 12.24
Comm | 0.4221 | 0.4221 | 0.4221 | 0.0 | 2.23
Output | 0.00076723 | 0.00076723 | 0.00076723 | 0.0 | 0.00
Modify | 3.6817 | 3.6817 | 3.6817 | 0.0 | 19.44
Other | | 0.4563 | | | 2.41
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -166,4 +166,4 @@ Total # of neighbors = 13997
Ave neighs/atom = 4.66567
Neighbor list builds = 836
Dangerous builds = 0
Total wall time: 0:00:29
Total wall time: 0:00:28

46
examples/pour/log.15Feb16.pour.g++.4 → examples/pour/log.5Oct16.pour.g++.4
View File

@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# Pour granular particles into chute container, then induce flow
atom_style sphere
@ -26,7 +26,7 @@ timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix zlower all wall/gran 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
fix zlower all wall/gran hooke/history 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box
fix ins all pour 3000 1 300719 vol 0.13 50 region slab
@ -54,8 +54,8 @@ Neighbor list info ...
master list distance cutoff = 1.2
ghost atom cutoff = 1.2
binsize = 0.6 -> bins = 34 34 28
Memory usage per processor = 2.77531 Mbytes
Step Atoms KinEng 1 Volume
Memory usage per processor = 2.7753 Mbytes
Step Atoms KinEng c_1 Volume
0 0 -0 0 6600
1000 402 768.04606 0 6600
2000 402 1407.1714 0 6600
@ -82,20 +82,20 @@ Step Atoms KinEng 1 Volume
23000 3000 456.26221 36.394458 6600
24000 3000 334.38331 26.256087 6600
25000 3000 233.7217 18.768345 6600
Loop time of 2.97699 on 4 procs for 25000 steps with 3000 atoms
Loop time of 3.00537 on 4 procs for 25000 steps with 3000 atoms
Performance: 725563.868 tau/day, 8397.730 timesteps/s
Performance: 718714.211 tau/day, 8318.452 timesteps/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3818 | 1.4161 | 1.4613 | 2.9 | 47.57
Neigh | 0.39047 | 0.40059 | 0.40954 | 1.3 | 13.46
Comm | 0.30601 | 0.31937 | 0.33453 | 2.2 | 10.73
Output | 0.00056505 | 0.00065571 | 0.00070286 | 0.2 | 0.02
Modify | 0.60454 | 0.61377 | 0.62323 | 1.1 | 20.62
Other | | 0.2265 | | | 7.61
Pair | 1.328 | 1.3659 | 1.4112 | 2.9 | 45.45
Neigh | 0.39528 | 0.40948 | 0.42265 | 1.6 | 13.62
Comm | 0.36134 | 0.36901 | 0.37668 | 0.9 | 12.28
Output | 0.00052094 | 0.00060934 | 0.0006752 | 0.2 | 0.02
Modify | 0.5892 | 0.60403 | 0.61671 | 1.3 | 20.10
Other | | 0.2564 | | | 8.53
Nlocal: 750 ave 765 max 730 min
Histogram: 1 0 0 0 1 0 0 0 1 1
@ -112,8 +112,8 @@ Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 7.22932 Mbytes
Step Atoms KinEng 1 Volume
Memory usage per processor = 7.16682 Mbytes
Step Atoms KinEng c_1 Volume
25000 3000 233.7217 18.768345 6600
26000 3000 80.58756 21.114703 6600
27000 3000 112.90794 11.760837 6600
@ -140,20 +140,20 @@ Step Atoms KinEng 1 Volume
48000 3000 15555.796 204.40316 6600
49000 3000 16694.338 208.98934 6600
50000 3000 17936.665 192.19442 6600
Loop time of 5.6096 on 4 procs for 25000 steps with 3000 atoms
Loop time of 5.5877 on 4 procs for 25000 steps with 3000 atoms
Performance: 385054.499 tau/day, 4456.649 timesteps/s
99.5% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 386563.121 tau/day, 4474.110 timesteps/s
99.4% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 3.0572 | 3.1012 | 3.1483 | 1.8 | 55.28
Neigh | 0.57694 | 0.58054 | 0.5881 | 0.6 | 10.35
Comm | 0.52065 | 0.53928 | 0.55884 | 1.8 | 9.61
Output | 0.00074744 | 0.00090379 | 0.0011649 | 0.5 | 0.02
Modify | 0.94697 | 0.95569 | 0.96864 | 0.9 | 17.04
Other | | 0.432 | | | 7.70
Pair | 2.9862 | 3.0411 | 3.0685 | 1.9 | 54.42
Neigh | 0.58638 | 0.60065 | 0.61313 | 1.2 | 10.75
Comm | 0.49186 | 0.50314 | 0.51344 | 1.2 | 9.00
Output | 0.00076151 | 0.0010245 | 0.0012021 | 0.5 | 0.02
Modify | 0.93086 | 0.95139 | 0.96527 | 1.3 | 17.03
Other | | 0.4904 | | | 8.78
Nlocal: 750 ave 758 max 741 min
Histogram: 1 0 0 0 0 2 0 0 0 1