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lammps/test-user-omp/bench_beck/log.beck.1
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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 1 by 1 MPI processor grid
Created 32000 atoms
Memory usage per processor = 15.1924 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 4.98058 on 1 procs for 100 steps with 32000 atoms
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
Performance: 0.867 ns/day 27.670 hours/ns 20.078 timesteps/s
MPI task timings breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 4.8521 | 4.8521 | 4.8521 | 0.0 | 97.42
Neigh | 0.058456 | 0.058456 | 0.058456 | 0.0 | 1.17
Comm | 0.021754 | 0.021754 | 0.021754 | 0.0 | 0.44
Output | 0.0018423 | 0.0018423 | 0.0018423 | 0.0 | 0.04
Modify | 0.034694 | 0.034694 | 0.034694 | 0.0 | 0.70
Other | | 0.0117 | | | 0.23
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 19911 ave 19911 max 19911 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1.51457e+06 ave 1.51457e+06 max 1.51457e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1514572
Ave neighs/atom = 47.3304
Neighbor list builds = 1
Dangerous builds = 0
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