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lammps/test-user-omp/bench_beck/log.beck.4
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LAMMPS (11 Nov 2013-ICMS)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 12 12 12
Created orthogonal box = (0 0 0) to (240 240 240)
1 by 2 by 2 MPI processor grid
Created 32000 atoms
Memory usage per processor = 4.61208 Mbytes
Step Temp E_pair E_mol TotEng Press
0 300 -5.3869906e-05 0 1240.8586 95.875494
10 300 -5.3902648e-05 0 1240.8586 95.875494
20 300 -5.4001104e-05 0 1240.8586 95.875494
30 300 -5.4165963e-05 0 1240.8586 95.875494
40 300 -5.4398376e-05 0 1240.8586 95.875494
50 300 -5.4700235e-05 0 1240.8586 95.875494
60 300 -5.5074354e-05 0 1240.8586 95.875494
70 300 -5.5523323e-05 0 1240.8586 95.875494
80 300 -5.6048244e-05 0 1240.8586 95.875494
90 300 -5.6651625e-05 0 1240.8586 95.875494
100 300 -5.7338918e-05 0 1240.8586 95.875494
Loop time of 3.0355 on 4 procs for 100 steps with 32000 atoms
98.2% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 1.423 ns/day 16.864 hours/ns 32.944 timesteps/s
MPI task timings breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.8354 | 2.8726 | 2.9106 | 2.0 | 94.63
Neigh | 0.030736 | 0.031226 | 0.031873 | 0.3 | 1.03
Comm | 0.055387 | 0.093697 | 0.13317 | 11.2 | 3.09
Output | 0.0010853 | 0.0019796 | 0.0044672 | 3.2 | 0.07
Modify | 0.022742 | 0.024309 | 0.026224 | 1.0 | 0.80
Other | | 0.01166 | | | 0.38
Nlocal: 8000 ave 8022 max 7979 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost: 9131 ave 9152 max 9109 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Neighs: 378643 ave 382258 max 376498 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Total # of neighbors = 1514572
Ave neighs/atom = 47.3304
Neighbor list builds = 1
Dangerous builds = 0
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