clean up doc src
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@ -1,4 +1,4 @@
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LAMMPS (15 Feb 2016)
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LAMMPS (5 Oct 2016)
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# 2d LJ obstacle flow
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dimension 2
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@ -80,7 +80,7 @@ fix 9 all enforce2d
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timestep 0.003
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thermo 1000
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thermo_modify temp mobile
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:445)
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
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#dump 1 all atom 100 dump.obstacle
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@ -126,20 +126,20 @@ Step Temp E_pair E_mol TotEng Press Volume
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23000 1 -0.39249509 0 0.29411089 0.97187435 1459.6771
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24000 1 -0.33410442 0 0.35250156 0.93960021 1463.5903
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25000 1 -0.37437615 0 0.31222983 0.9644765 1464.9391
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Loop time of 1.65987 on 1 procs for 25000 steps with 769 atoms
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Loop time of 1.64517 on 1 procs for 25000 steps with 769 atoms
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Performance: 3903929.372 tau/day, 15061.456 timesteps/s
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Performance: 3938793.608 tau/day, 15195.963 timesteps/s
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99.9% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.52106 | 0.52106 | 0.52106 | 0.0 | 31.39
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Neigh | 0.16143 | 0.16143 | 0.16143 | 0.0 | 9.73
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Comm | 0.023438 | 0.023438 | 0.023438 | 0.0 | 1.41
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Output | 0.00032663 | 0.00032663 | 0.00032663 | 0.0 | 0.02
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Modify | 0.87449 | 0.87449 | 0.87449 | 0.0 | 52.68
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Other | | 0.07912 | | | 4.77
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Pair | 0.5054 | 0.5054 | 0.5054 | 0.0 | 30.72
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Neigh | 0.17887 | 0.17887 | 0.17887 | 0.0 | 10.87
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Comm | 0.022527 | 0.022527 | 0.022527 | 0.0 | 1.37
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Output | 0.00023794 | 0.00023794 | 0.00023794 | 0.0 | 0.01
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Modify | 0.85127 | 0.85127 | 0.85127 | 0.0 | 51.74
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Other | | 0.08687 | | | 5.28
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Nlocal: 769 ave 769 max 769 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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@ -1,4 +1,4 @@
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LAMMPS (15 Feb 2016)
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LAMMPS (5 Oct 2016)
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# 2d LJ obstacle flow
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dimension 2
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@ -80,7 +80,7 @@ fix 9 all enforce2d
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timestep 0.003
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thermo 1000
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thermo_modify temp mobile
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:445)
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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
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#dump 1 all atom 100 dump.obstacle
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@ -126,20 +126,20 @@ Step Temp E_pair E_mol TotEng Press Volume
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23000 1 -0.37327871 0 0.31332728 1.0623185 1453.1342
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24000 1 -0.40040333 0 0.28620265 0.94983886 1459.4461
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25000 1 -0.37645924 0 0.31014674 1.0526044 1458.7191
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Loop time of 0.801717 on 4 procs for 25000 steps with 769 atoms
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Loop time of 0.821326 on 4 procs for 25000 steps with 769 atoms
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Performance: 8082654.578 tau/day, 31183.081 timesteps/s
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99.2% CPU use with 4 MPI tasks x no OpenMP threads
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Performance: 7889678.376 tau/day, 30438.574 timesteps/s
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99.4% CPU use with 4 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.066442 | 0.13097 | 0.21239 | 16.1 | 16.34
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Neigh | 0.03235 | 0.042894 | 0.056734 | 4.4 | 5.35
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Comm | 0.14225 | 0.21218 | 0.28481 | 11.2 | 26.47
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Output | 0.0005331 | 0.00056887 | 0.00064301 | 0.2 | 0.07
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Modify | 0.27222 | 0.31224 | 0.33583 | 4.6 | 38.95
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Other | | 0.1029 | | | 12.83
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Pair | 0.064561 | 0.12703 | 0.20657 | 15.5 | 15.47
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Neigh | 0.036315 | 0.04798 | 0.06249 | 4.4 | 5.84
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Comm | 0.14793 | 0.21791 | 0.27951 | 10.6 | 26.53
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Output | 0.00043583 | 0.00046438 | 0.00054574 | 0.2 | 0.06
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Modify | 0.27754 | 0.31239 | 0.3371 | 3.9 | 38.03
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Other | | 0.1156 | | | 14.07
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Nlocal: 192.25 ave 243 max 151 min
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Histogram: 1 1 0 0 0 0 1 0 0 1
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