gpu/ware off
Loop time of 30.3401 on 8 procs for 2000 steps with 300003 atoms
Performance: 2.848 ns/day, 8.428 hours/ns, 65.919 timesteps/s
77.5% CPU use with 8 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 22.527 | 22.892 | 23.286 | 4.2 | 75.45
Neigh | 0.039957 | 0.046826 | 0.053138 | 1.7 | 0.15
Comm | 6.1284 | 6.5441 | 6.9268 | 8.1 | 21.57
Output | 0.0070663 | 0.0087 | 0.010944 | 1.4 | 0.03
Modify | 0.66162 | 0.70591 | 0.7618 | 3.9 | 2.33
Other | | 0.1425 | | | 0.47
Nlocal: 37500.4 ave 37842 max 37237 min
Histogram: 1 0 2 1 1 0 2 0 0 1
Nghost: 24164.5 ave 24721 max 23981 min
Histogram: 3 3 0 0 1 0 0 0 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 8 0 0 0 0 0 0 0 0 0
FullNghs: 5.61442e+06 ave 5.7134e+06 max 5.53929e+06 min
Histogram: 1 0 2 1 1 1 1 0 0 1
Total # of neighbors = 44915320
Ave neighs/atom = 149.71624
Neighbor list builds = 51
Dangerous builds = 0
Total wall time: 0:00:42
gpu/ware on
Loop time of 24.6107 on 8 procs for 2000 steps with 300003 atoms
Performance: 3.511 ns/day, 6.836 hours/ns, 81.266 timesteps/s
72.9% CPU use with 8 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 22.174 | 22.423 | 22.794 | 3.7 | 91.11
Neigh | 0.037049 | 0.047096 | 0.05491 | 2.6 | 0.19
Comm | 1.5475 | 1.9084 | 2.1571 | 12.3 | 7.75
Output | 0.014146 | 0.018349 | 0.022585 | 1.9 | 0.07
Modify | 0.14439 | 0.14937 | 0.15541 | 1.0 | 0.61
Other | | 0.06497 | | | 0.26
Nlocal: 37500.4 ave 37772 max 37214 min
Histogram: 1 0 0 3 0 0 1 2 0 1
Nghost: 24152.2 ave 24709 max 23955 min
Histogram: 4 1 1 0 0 1 0 0 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 8 0 0 0 0 0 0 0 0 0
FullNghs: 5.61451e+06 ave 5.70442e+06 max 5.5309e+06 min
Histogram: 1 0 1 2 0 1 2 0 0 1
Total # of neighbors = 44916086
Ave neighs/atom = 149.71879
Neighbor list builds = 52
Dangerous builds = 0
Total wall time: 0:00:37
gpu/ware off
Loop time of 9.1751 on 80 procs for 2000 steps with 300003 atoms
Performance: 9.417 ns/day, 2.549 hours/ns, 217.981 timesteps/s
94.1% CPU use with 80 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.6081 | 5.9197 | 6.2765 | 5.4 | 64.52
Neigh | 0.025249 | 0.032095 | 0.042391 | 2.1 | 0.35
Comm | 2.4157 | 2.7746 | 3.1194 | 8.3 | 30.24
Output | 0.009548 | 0.017064 | 0.024032 | 2.7 | 0.19
Modify | 0.26009 | 0.28328 | 0.32035 | 2.8 | 3.09
Other | | 0.1483 | | | 1.62
Nlocal: 3750.04 ave 4040 max 3326 min
Histogram: 2 1 2 9 13 13 14 11 8 7
Nghost: 6816.74 ave 7578 max 5787 min
Histogram: 4 4 2 9 12 6 18 12 3 10
Neighs: 0 ave 0 max 0 min
Histogram: 80 0 0 0 0 0 0 0 0 0
FullNghs: 561481 ave 641612 max 460156 min
Histogram: 2 2 7 6 16 10 14 10 9 4
Total # of neighbors = 44918464
Ave neighs/atom = 149.72672
Neighbor list builds = 51
Dangerous builds = 0
Total wall time: 0:00:18
gpu/ware on
Loop time of 10.8414 on 80 procs for 2000 steps with 300003 atoms
Performance: 7.969 ns/day, 3.011 hours/ns, 184.478 timesteps/s
93.2% CPU use with 80 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.5973 | 5.901 | 6.1283 | 4.5 | 54.43
Neigh | 0.025175 | 0.031561 | 0.048121 | 2.7 | 0.29
Comm | 4.3723 | 4.5986 | 4.9266 | 5.3 | 42.42
Output | 0.029637 | 0.058832 | 0.094963 | 7.5 | 0.54
Modify | 0.13985 | 0.15011 | 0.16165 | 1.4 | 1.38
Other | | 0.1013 | | | 0.93
Nlocal: 3750.04 ave 4052 max 3301 min
Histogram: 1 2 1 10 11 14 17 11 7 6
Nghost: 6816.74 ave 7586 max 5818 min
Histogram: 5 3 1 13 9 8 16 12 4 9
Neighs: 0 ave 0 max 0 min
Histogram: 80 0 0 0 0 0 0 0 0 0
FullNghs: 561460 ave 645634 max 455257 min
Histogram: 2 2 6 6 17 12 14 9 8 4
Total # of neighbors = 44916836
Ave neighs/atom = 149.72129
Neighbor list builds = 51
Dangerous builds = 0
Total wall time: 0:00:24
gpu/ware off
Loop time of 14.516 on 80 procs for 2000 steps with 1000002 atoms
Performance: 5.952 ns/day, 4.032 hours/ns, 137.779 timesteps/s
87.1% CPU use with 80 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 8.8705 | 9.4539 | 10.129 | 8.4 | 65.13
Neigh | 0.030447 | 0.038145 | 0.055043 | 2.3 | 0.26
Comm | 3.7486 | 4.4381 | 5.0218 | 12.4 | 30.57
Output | 0.0082933 | 0.015203 | 0.022997 | 2.4 | 0.10
Modify | 0.34225 | 0.40253 | 0.47904 | 5.4 | 2.77
Other | | 0.1681 | | | 1.16
Nlocal: 12500 ave 13235 max 11819 min
Histogram: 3 5 10 11 18 11 7 6 6 3
Nghost: 13365.2 ave 14832 max 12003 min
Histogram: 4 3 10 15 6 22 8 2 6 4
Neighs: 0 ave 0 max 0 min
Histogram: 80 0 0 0 0 0 0 0 0 0
FullNghs: 1.86392e+06 ave 2.06676e+06 max 1.68025e+06 min
Histogram: 2 7 8 12 19 11 9 5 4 3
Total # of neighbors = 1.491136e+08
Ave neighs/atom = 149.1133
Neighbor list builds = 55
Dangerous builds = 0
Total wall time: 0:00:33
gpu/ware on
Loop time of 15.6789 on 80 procs for 2000 steps with 1000002 atoms
Performance: 5.511 ns/day, 4.355 hours/ns, 127.560 timesteps/s
86.2% CPU use with 80 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 8.7195 | 9.2511 | 9.8959 | 8.0 | 59.00
Neigh | 0.027662 | 0.034901 | 0.052389 | 2.7 | 0.22
Comm | 5.4802 | 6.1307 | 6.6638 | 9.9 | 39.10
Output | 0.021921 | 0.03406 | 0.043188 | 2.8 | 0.22
Modify | 0.13924 | 0.14758 | 0.15666 | 1.2 | 0.94
Other | | 0.08047 | | | 0.51
Nlocal: 12500 ave 13234 max 11811 min
Histogram: 2 6 10 11 17 13 6 7 5 3
Nghost: 13363 ave 14771 max 12041 min
Histogram: 5 2 11 15 4 22 9 2 6 4
Neighs: 0 ave 0 max 0 min
Histogram: 80 0 0 0 0 0 0 0 0 0
FullNghs: 1.86386e+06 ave 2.065e+06 max 1.67809e+06 min
Histogram: 2 6 9 12 18 13 6 7 4 3
Total # of neighbors = 1.491085e+08
Ave neighs/atom = 149.1082
Neighbor list builds = 56
Dangerous builds = 0
Total wall time: 0:00:36