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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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18
examples/nemd/log.15Feb16.nemd.g++.1 → examples/nemd/log.5Oct16.nemd.g++.1
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# 2d NEMD simulation
units lj
@ -101,20 +101,20 @@ Step Temp E_pair E_mol TotEng Press Volume
48000 1.0401524 0.3420245 0 1.3756759 6.8016042 189.52855
49000 1.0023407 0.31833091 0 1.314407 6.7385662 189.52855
50000 1.0566272 0.28657142 0 1.3365947 6.261203 189.52855
Loop time of 1.1489 on 1 procs for 50000 steps with 160 atoms
Loop time of 1.14585 on 1 procs for 50000 steps with 160 atoms
Performance: 18800575.740 tau/day, 43519.851 timesteps/s
Performance: 18850616.224 tau/day, 43635.686 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 | 0.20048 | 0.20048 | 0.20048 | 0.0 | 17.45
Neigh | 0.16117 | 0.16117 | 0.16117 | 0.0 | 14.03
Comm | 0.048121 | 0.048121 | 0.048121 | 0.0 | 4.19
Output | 0.00054765 | 0.00054765 | 0.00054765 | 0.0 | 0.05
Modify | 0.67693 | 0.67693 | 0.67693 | 0.0 | 58.92
Other | | 0.06166 | | | 5.37
Pair | 0.19375 | 0.19375 | 0.19375 | 0.0 | 16.91
Neigh | 0.17407 | 0.17407 | 0.17407 | 0.0 | 15.19
Comm | 0.046638 | 0.046638 | 0.046638 | 0.0 | 4.07
Output | 0.0003221 | 0.0003221 | 0.0003221 | 0.0 | 0.03
Modify | 0.66586 | 0.66586 | 0.66586 | 0.0 | 58.11
Other | | 0.06522 | | | 5.69
Nlocal: 160 ave 160 max 160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

22
examples/nemd/log.15Feb16.nemd.g++.4 → examples/nemd/log.5Oct16.nemd.g++.4
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# 2d NEMD simulation
units lj
@ -101,20 +101,20 @@ Step Temp E_pair E_mol TotEng Press Volume
48000 1.1093597 0.26705754 0 1.3694837 5.8401116 189.52855
49000 1.0803976 0.29555751 0 1.3692026 6.4769008 189.52855
50000 1.0150244 0.29822696 0 1.3069075 6.4417197 189.52855
Loop time of 1.04457 on 4 procs for 50000 steps with 160 atoms
Loop time of 0.89762 on 4 procs for 50000 steps with 160 atoms
Performance: 20678409.528 tau/day, 47866.689 timesteps/s
99.1% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 24063642.337 tau/day, 55702.876 timesteps/s
99.3% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.049384 | 0.050257 | 0.051119 | 0.4 | 4.81
Neigh | 0.043314 | 0.043914 | 0.044468 | 0.3 | 4.20
Comm | 0.35483 | 0.40496 | 0.45232 | 5.9 | 38.77
Output | 0.0010872 | 0.0012692 | 0.0017776 | 0.8 | 0.12
Modify | 0.30946 | 0.35542 | 0.40435 | 6.0 | 34.03
Other | | 0.1887 | | | 18.07
Pair | 0.049302 | 0.050204 | 0.051269 | 0.3 | 5.59
Neigh | 0.047954 | 0.048719 | 0.049847 | 0.3 | 5.43
Comm | 0.32267 | 0.33536 | 0.34668 | 1.5 | 37.36
Output | 0.00076675 | 0.00081015 | 0.00093508 | 0.3 | 0.09
Modify | 0.30312 | 0.31088 | 0.31853 | 1.0 | 34.63
Other | | 0.1516 | | | 16.89
Nlocal: 40 ave 42 max 38 min
Histogram: 1 0 1 0 0 0 0 1 0 1
@ -127,4 +127,4 @@ Total # of neighbors = 355
Ave neighs/atom = 2.21875
Neighbor list builds = 5284
Dangerous builds = 0
Total wall time: 0:00:01
Total wall time: 0:00:00