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This commit is contained in:
Axel Kohlmeyer
2020-06-06 11:59:38 -04:00
parent a1afb8e1da
commit 7088746e36
2 changed files with 41 additions and 41 deletions
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38
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1
View File

@ -8,7 +8,7 @@ read_data data.sigma5
1 by 1 by 1 MPI processor grid
reading atoms ...
25600 atoms
read_data CPU = 0.028 secs
read_data CPU = 0.032 secs
pair_style eam
pair_coeff * * Ni_u3.eam
@ -33,17 +33,17 @@ Neighbor list info ...
ghost atom cutoff = 6.8
binsize = 3.4, bins = 54 27 6
2 neighbor lists, perpetual/occasional/extra = 2 0 0
(1) pair eam, perpetual, half/full from (2)
(1) pair eam, perpetual
attributes: half, newton on
pair build: halffull/newton
stencil: none
bin: none
(2) fix orient/eco, perpetual
attributes: full, newton on
pair build: full/bin/atomonly
stencil: full/bin/3d
pair build: half/bin/atomonly/newton
stencil: half/bin/3d/newton
bin: standard
Per MPI rank memory allocation (min/avg/max) = 107.4 | 107.4 | 107.4 Mbytes
(2) fix orient/eco, perpetual
attributes: full, newton on, ghost
pair build: full/bin/ghost
stencil: full/ghost/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 114 | 114 | 114 Mbytes
Step Temp TotEng Press Volume f_eco
0 750 -111027.95 15148.458 279755.85 8.7507522e-10
100 422.27806 -110928.76 213.95562 285332.65 -0.9445869
@ -54,22 +54,22 @@ Step Temp TotEng Press Volume f_eco
600 569.97656 -109623.63 -77.584646 288223.23 -3.1029924
700 615.98095 -109318.75 -64.920979 288793.81 -5.0459701
800 664.91881 -109021.02 -62.347415 289323.84 -6.1930838
900 704.83039 -108741.73 365.8898 289827.26 -9.8340949
900 704.83039 -108741.73 365.88979 289827.26 -9.8340949
1000 734.71441 -108502.96 1119.6572 290190 -12.049805
Loop time of 116.807 on 1 procs for 1000 steps with 25600 atoms
Loop time of 117.274 on 1 procs for 1000 steps with 25600 atoms
Performance: 0.740 ns/day, 32.446 hours/ns, 8.561 timesteps/s
Performance: 0.737 ns/day, 32.576 hours/ns, 8.527 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 27.131 | 27.131 | 27.131 | 0.0 | 23.23
Neigh | 0.83119 | 0.83119 | 0.83119 | 0.0 | 0.71
Comm | 0.13038 | 0.13038 | 0.13038 | 0.0 | 0.11
Output | 0.00079226 | 0.00079226 | 0.00079226 | 0.0 | 0.00
Modify | 88.626 | 88.626 | 88.626 | 0.0 | 75.87
Other | | 0.08717 | | | 0.07
Pair | 27.364 | 27.364 | 27.364 | 0.0 | 23.33
Neigh | 1.7771 | 1.7771 | 1.7771 | 0.0 | 1.52
Comm | 0.13003 | 0.13003 | 0.13003 | 0.0 | 0.11
Output | 0.00078893 | 0.00078893 | 0.00078893 | 0.0 | 0.00
Modify | 87.918 | 87.918 | 87.918 | 0.0 | 74.97
Other | | 0.0842 | | | 0.07
Nlocal: 25600 ave 25600 max 25600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

44
examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4
View File

@ -8,7 +8,7 @@ read_data data.sigma5
4 by 1 by 1 MPI processor grid
reading atoms ...
25600 atoms
read_data CPU = 0.329 secs
read_data CPU = 0.022 secs
pair_style eam
pair_coeff * * Ni_u3.eam
@ -33,17 +33,17 @@ Neighbor list info ...
ghost atom cutoff = 6.8
binsize = 3.4, bins = 54 27 6
2 neighbor lists, perpetual/occasional/extra = 2 0 0
(1) pair eam, perpetual, half/full from (2)
(1) pair eam, perpetual
attributes: half, newton on
pair build: halffull/newton
stencil: none
bin: none
(2) fix orient/eco, perpetual
attributes: full, newton on
pair build: full/bin/atomonly
stencil: full/bin/3d
pair build: half/bin/atomonly/newton
stencil: half/bin/3d/newton
bin: standard
Per MPI rank memory allocation (min/avg/max) = 31.41 | 31.5 | 31.6 Mbytes
(2) fix orient/eco, perpetual
attributes: full, newton on, ghost
pair build: full/bin/ghost
stencil: full/ghost/bin/3d
bin: standard
Per MPI rank memory allocation (min/avg/max) = 33.73 | 33.82 | 33.92 Mbytes
Step Temp TotEng Press Volume f_eco
0 750 -111027.95 15148.458 279755.85 8.749339e-10
100 422.2681 -110928.91 213.80039 285331.89 -0.89527716
@ -56,27 +56,27 @@ Step Temp TotEng Press Volume f_eco
800 664.86797 -109021.92 -52.316387 289313.22 -4.603192
900 703.88411 -108742.88 329.87308 289838.93 -8.1835743
1000 734.57012 -108504.44 1032.3825 290208.8 -9.5778417
Loop time of 42.9059 on 4 procs for 1000 steps with 25600 atoms
Loop time of 36.3118 on 4 procs for 1000 steps with 25600 atoms
Performance: 2.014 ns/day, 11.918 hours/ns, 23.307 timesteps/s
92.9% CPU use with 4 MPI tasks x 1 OpenMP threads
Performance: 2.379 ns/day, 10.087 hours/ns, 27.539 timesteps/s
96.5% CPU use with 4 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 7.702 | 7.8512 | 8.0322 | 4.3 | 18.30
Neigh | 0.21251 | 0.22612 | 0.24124 | 2.3 | 0.53
Comm | 0.58286 | 0.84708 | 1.0824 | 19.5 | 1.97
Output | 0.040286 | 0.048071 | 0.060272 | 3.8 | 0.11
Modify | 33.411 | 33.509 | 33.606 | 1.3 | 78.10
Other | | 0.4242 | | | 0.99
Pair | 7.2322 | 7.2862 | 7.3582 | 1.7 | 20.07
Neigh | 0.50594 | 0.50825 | 0.51098 | 0.3 | 1.40
Comm | 0.20657 | 0.29868 | 0.37614 | 11.6 | 0.82
Output | 0.00052929 | 0.00080693 | 0.0016012 | 0.0 | 0.00
Modify | 28.13 | 28.154 | 28.185 | 0.5 | 77.53
Other | | 0.06384 | | | 0.18
Nlocal: 6400 ave 6429 max 6369 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Nghost: 9867.75 ave 9885 max 9846 min
Histogram: 1 0 0 0 1 0 0 1 0 1
Neighs: 397746 ave 401713 max 393565 min
Histogram: 1 1 0 0 0 0 0 0 1 1
Neighs: 397746 ave 402254 max 393369 min
Histogram: 1 1 0 0 0 0 0 1 0 1
FullNghs: 795492 ave 802928 max 788138 min
Histogram: 1 1 0 0 0 0 0 0 1 1
@ -87,4 +87,4 @@ Dangerous builds = 0
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:43
Total wall time: 0:00:36