From 7088746e36b1a26f8617f69da8838222f24168ad Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 6 Jun 2020 11:59:38 -0400 Subject: [PATCH] update logs --- .../orient_eco/log.2Jun2020.orent_eco.g++.1 | 38 ++++++++-------- .../orient_eco/log.2Jun2020.orent_eco.g++.4 | 44 +++++++++---------- 2 files changed, 41 insertions(+), 41 deletions(-) diff --git a/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 b/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 index 02d8a1bdd5..c0e9eeff6c 100644 --- a/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 +++ b/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.1 @@ -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 diff --git a/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 b/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 index 07af9a5f25..ffa4a27ac2 100644 --- a/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 +++ b/examples/USER/misc/orient_eco/log.2Jun2020.orent_eco.g++.4 @@ -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