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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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24
examples/eim/log.15Feb16.eim.g++.1 → examples/eim/log.5Oct16.eim.g++.1
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# NaCl test problem for embedded atom method (EIM) potential
units metal
@ -46,7 +46,7 @@ Neighbor list info ...
master list distance cutoff = 7.906
ghost atom cutoff = 7.906
binsize = 3.953 -> bins = 10 10 10
Memory usage per processor = 2.33063 Mbytes
Memory usage per processor = 2.76959 Mbytes
Step PotEng Pxx Pyy Pzz Temp
0 -5660.4738 -118151.29 -117613.39 -118064.41 1400
50 -5773.8661 889.73924 898.43321 703.5365 891.68472
@ -59,20 +59,20 @@ Step PotEng Pxx Pyy Pzz Temp
400 -5743.6862 173.43552 288.02324 107.96614 840.48912
450 -5751.3366 -752.54635 -762.07316 -591.45022 743.42176
500 -5780.5266 -157.23981 84.510897 -52.426827 712.64129
Loop time of 5.98 on 1 procs for 500 steps with 2000 atoms
Loop time of 5.86191 on 1 procs for 500 steps with 2000 atoms
Performance: 7.224 ns/day, 3.322 hours/ns, 83.612 timesteps/s
99.9% CPU use with 1 MPI tasks x no OpenMP threads
Performance: 7.370 ns/day, 3.257 hours/ns, 85.296 timesteps/s
99.8% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 5.5037 | 5.5037 | 5.5037 | 0.0 | 92.04
Neigh | 0.38962 | 0.38962 | 0.38962 | 0.0 | 6.52
Comm | 0.01958 | 0.01958 | 0.01958 | 0.0 | 0.33
Output | 0.00030184 | 0.00030184 | 0.00030184 | 0.0 | 0.01
Modify | 0.058852 | 0.058852 | 0.058852 | 0.0 | 0.98
Other | | 0.007943 | | | 0.13
Pair | 5.4001 | 5.4001 | 5.4001 | 0.0 | 92.12
Neigh | 0.37572 | 0.37572 | 0.37572 | 0.0 | 6.41
Comm | 0.019177 | 0.019177 | 0.019177 | 0.0 | 0.33
Output | 0.00028348 | 0.00028348 | 0.00028348 | 0.0 | 0.00
Modify | 0.057656 | 0.057656 | 0.057656 | 0.0 | 0.98
Other | | 0.008926 | | | 0.15
Nlocal: 2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@ -85,4 +85,4 @@ Total # of neighbors = 99537
Ave neighs/atom = 49.7685
Neighbor list builds = 89
Dangerous builds = 10
Total wall time: 0:00:06
Total wall time: 0:00:05

22
examples/eim/log.15Feb16.eim.g++.4 → examples/eim/log.5Oct16.eim.g++.4
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@ -1,4 +1,4 @@
LAMMPS (15 Feb 2016)
LAMMPS (5 Oct 2016)
# NaCl test problem for embedded atom method (EIM) potential
units metal
@ -46,7 +46,7 @@ Neighbor list info ...
master list distance cutoff = 7.906
ghost atom cutoff = 7.906
binsize = 3.953 -> bins = 10 10 10
Memory usage per processor = 2.21734 Mbytes
Memory usage per processor = 2.70056 Mbytes
Step PotEng Pxx Pyy Pzz Temp
0 -5660.4738 -118151.29 -117613.39 -118064.41 1400
50 -5773.8661 889.73924 898.43321 703.5365 891.68472
@ -59,20 +59,20 @@ Step PotEng Pxx Pyy Pzz Temp
400 -5743.6862 173.43552 288.02324 107.96614 840.48912
450 -5751.3366 -752.54635 -762.07316 -591.45022 743.42176
500 -5780.5266 -157.23981 84.510897 -52.426827 712.64129
Loop time of 1.57729 on 4 procs for 500 steps with 2000 atoms
Loop time of 1.56761 on 4 procs for 500 steps with 2000 atoms
Performance: 27.389 ns/day, 0.876 hours/ns, 316.999 timesteps/s
99.7% CPU use with 4 MPI tasks x no OpenMP threads
Performance: 27.558 ns/day, 0.871 hours/ns, 318.957 timesteps/s
99.8% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.3994 | 1.4083 | 1.4269 | 0.9 | 89.29
Neigh | 0.096567 | 0.096771 | 0.097035 | 0.1 | 6.14
Comm | 0.02714 | 0.045477 | 0.054307 | 5.0 | 2.88
Output | 0.00022769 | 0.0002473 | 0.00029278 | 0.2 | 0.02
Modify | 0.021543 | 0.021803 | 0.022018 | 0.1 | 1.38
Other | | 0.004696 | | | 0.30
Pair | 1.3749 | 1.3896 | 1.4073 | 1.1 | 88.65
Neigh | 0.093211 | 0.094616 | 0.096788 | 0.5 | 6.04
Comm | 0.034484 | 0.05451 | 0.070809 | 6.2 | 3.48
Output | 0.00025511 | 0.00026953 | 0.00029612 | 0.1 | 0.02
Modify | 0.023773 | 0.023898 | 0.024043 | 0.1 | 1.52
Other | | 0.004684 | | | 0.30
Nlocal: 500 ave 501 max 498 min
Histogram: 1 0 0 0 0 0 1 0 0 2