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lammps/test-user-omp/bench_adp/log.adp.4
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LAMMPS (11 Nov 2013-ICMS)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.52 3.52 3.52
Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
1 by 2 by 2 MPI processor grid
Created 32000 atoms
Memory usage per processor = 8.14042 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -142400 0 -135782.09 20259.105
10 610.26123 -138272.27 0 -135748.11 34704.705
20 860.93609 -139306.61 0 -135745.61 31442.21
30 738.80215 -138795.71 0 -135739.88 33152.761
40 731.96088 -138765.93 0 -135738.39 33465.369
50 755.32171 -138863.3 0 -135739.14 32875.516
60 749.93083 -138841.58 0 -135739.72 32730.309
70 780.97098 -138971.8 0 -135741.55 32433.664
80 787.434 -138999.46 0 -135742.47 32271.526
90 789.50519 -139008.26 0 -135742.72 32127.727
100 793.05485 -139023.13 0 -135742.9 32175.694
Loop time of 8.68716 on 4 procs for 100 steps with 32000 atoms
97.5% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 4.973 ns/day 4.826 hours/ns 11.511 timesteps/s
MPI task timings breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 8.1995 | 8.2429 | 8.2852 | 1.3 | 94.89
Neigh | 0.26797 | 0.26881 | 0.27029 | 0.2 | 3.09
Comm | 0.09396 | 0.13618 | 0.1793 | 10.2 | 1.57
Output | 0.00084829 | 0.0015094 | 0.0033579 | 2.7 | 0.02
Modify | 0.021228 | 0.021286 | 0.021347 | 0.0 | 0.25
Other | | 0.01644 | | | 0.19
Nlocal: 8000 ave 8044 max 7960 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost: 9131 ave 9171 max 9087 min
Histogram: 1 0 0 0 1 0 1 0 0 1
Neighs: 334259 ave 336108 max 332347 min
Histogram: 1 0 0 1 0 0 1 0 0 1
Total # of neighbors = 1337035
Ave neighs/atom = 41.7823
Neighbor list builds = 13
Dangerous builds = 0
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