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update outputs again

This commit is contained in:
Axel Kohlmeyer 2020-06-09 15:09:45 -04:00
parent fa07f64b81
commit ecc142229d
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2 changed files with 25 additions and 23 deletions
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23
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1
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@ -8,11 +8,12 @@ read_data data.sigma5
1 by 1 by 1 MPI processor grid
reading atoms ...
25600 atoms
read_data CPU = 0.021 secs
read_data CPU = 0.020 secs
pair_style eam
pair_coeff * * Ni_u3.eam
Reading potential file Ni_u3.eam with DATE: 2007-06-11timestep 0.001
Reading potential file Ni_u3.eam with DATE: 2007-06-11
timestep 0.001
fix integrator all npt temp 750 750 0.1 iso 0 0 0.1
fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori
@ -56,20 +57,20 @@ Step Temp TotEng Press Volume f_eco
800 666.09015 -109018.62 38.120383 289305.37 -8.4745641
900 705.03939 -108738.66 263.39673 289867.87 -12.4514
1000 735.59866 -108500.52 242.46405 290353.65 -15.427653
Loop time of 110.19 on 1 procs for 1000 steps with 25600 atoms
Loop time of 109.966 on 1 procs for 1000 steps with 25600 atoms
Performance: 0.784 ns/day, 30.608 hours/ns, 9.075 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
Performance: 0.786 ns/day, 30.546 hours/ns, 9.094 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 27.143 | 27.143 | 27.143 | 0.0 | 24.63
Neigh | 0.83015 | 0.83015 | 0.83015 | 0.0 | 0.75
Comm | 0.12639 | 0.12639 | 0.12639 | 0.0 | 0.11
Output | 0.00078273 | 0.00078273 | 0.00078273 | 0.0 | 0.00
Modify | 82.003 | 82.003 | 82.003 | 0.0 | 74.42
Other | | 0.08703 | | | 0.08
Pair | 27.002 | 27.002 | 27.002 | 0.0 | 24.55
Neigh | 0.83228 | 0.83228 | 0.83228 | 0.0 | 0.76
Comm | 0.12623 | 0.12623 | 0.12623 | 0.0 | 0.11
Output | 0.00080323 | 0.00080323 | 0.00080323 | 0.0 | 0.00
Modify | 81.917 | 81.917 | 81.917 | 0.0 | 74.49
Other | | 0.08839 | | | 0.08
Nlocal: 25600 ave 25600 max 25600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

25
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4
View File

@ -8,11 +8,12 @@ read_data data.sigma5
4 by 1 by 1 MPI processor grid
reading atoms ...
25600 atoms
read_data CPU = 0.038 secs
read_data CPU = 0.025 secs
pair_style eam
pair_coeff * * Ni_u3.eam
Reading potential file Ni_u3.eam with DATE: 2007-06-11timestep 0.001
Reading potential file Ni_u3.eam with DATE: 2007-06-11
timestep 0.001
fix integrator all npt temp 750 750 0.1 iso 0 0 0.1
fix eco all orient/eco 0.08 0.25 3.6 sigma5.ori
@ -56,20 +57,20 @@ Step Temp TotEng Press Volume f_eco
800 666.09015 -109018.62 38.120383 289305.37 -8.4745641
900 705.03939 -108738.66 263.39673 289867.87 -12.4514
1000 735.59866 -108500.52 242.46405 290353.65 -15.427653
Loop time of 30.0111 on 4 procs for 1000 steps with 25600 atoms
Loop time of 29.6634 on 4 procs for 1000 steps with 25600 atoms
Performance: 2.879 ns/day, 8.336 hours/ns, 33.321 timesteps/s
98.0% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 2.913 ns/day, 8.240 hours/ns, 33.712 timesteps/s
98.6% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 7.1139 | 7.1437 | 7.1983 | 1.2 | 23.80
Neigh | 0.2101 | 0.21208 | 0.21316 | 0.3 | 0.71
Comm | 0.15491 | 0.20327 | 0.23586 | 6.8 | 0.68
Output | 0.00033617 | 0.00064594 | 0.0015616 | 0.0 | 0.00
Modify | 22.39 | 22.403 | 22.431 | 0.3 | 74.65
Other | | 0.04802 | | | 0.16
Pair | 7.0794 | 7.1053 | 7.1325 | 0.7 | 23.95
Neigh | 0.20947 | 0.21088 | 0.21231 | 0.2 | 0.71
Comm | 0.15708 | 0.18471 | 0.22338 | 6.7 | 0.62
Output | 0.00032616 | 0.00064683 | 0.0015936 | 0.0 | 0.00
Modify | 22.105 | 22.118 | 22.139 | 0.3 | 74.56
Other | | 0.0437 | | | 0.15
Nlocal: 6400 ave 6421 max 6384 min
Histogram: 1 1 0 0 0 1 0 0 0 1
@ -87,4 +88,4 @@ Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:30
Total wall time: 0:00:29