* [MAQAO] Info: Detected 192 Lprof instances in gmz12.benchmarkcenter.megware.com.
If this is incorrect, rerun with number-processes-per-node=X
[0] MPI startup(): Intel(R) MPI Library, Version 2021.14 Build 20240911 (id: b3fc682)
[0] MPI startup(): Copyright (C) 2003-2024 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2025.0.0/mpi/2021.14/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1056019 gmz12.benchmarkcenter.megware.com 0
[0] MPI startup(): 1 1055889 gmz12.benchmarkcenter.megware.com 1
[0] MPI startup(): 2 1055916 gmz12.benchmarkcenter.megware.com 2
[0] MPI startup(): 3 1055894 gmz12.benchmarkcenter.megware.com 3
[0] MPI startup(): 4 1055995 gmz12.benchmarkcenter.megware.com 4
[0] MPI startup(): 5 1055965 gmz12.benchmarkcenter.megware.com 5
[0] MPI startup(): 6 1056063 gmz12.benchmarkcenter.megware.com 6
[0] MPI startup(): 7 1055954 gmz12.benchmarkcenter.megware.com 7
[0] MPI startup(): 8 1055895 gmz12.benchmarkcenter.megware.com 8
[0] MPI startup(): 9 1055897 gmz12.benchmarkcenter.megware.com 9
[0] MPI startup(): 10 1055941 gmz12.benchmarkcenter.megware.com 10
[0] MPI startup(): 11 1055970 gmz12.benchmarkcenter.megware.com 11
[0] MPI startup(): 12 1056062 gmz12.benchmarkcenter.megware.com 12
[0] MPI startup(): 13 1056060 gmz12.benchmarkcenter.megware.com 13
[0] MPI startup(): 14 1056042 gmz12.benchmarkcenter.megware.com 14
[0] MPI startup(): 15 1055971 gmz12.benchmarkcenter.megware.com 15
[0] MPI startup(): 16 1055997 gmz12.benchmarkcenter.megware.com 16
[0] MPI startup(): 17 1056002 gmz12.benchmarkcenter.megware.com 17
[0] MPI startup(): 18 1056008 gmz12.benchmarkcenter.megware.com 18
[0] MPI startup(): 19 1056039 gmz12.benchmarkcenter.megware.com 19
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[0] MPI startup(): 26 1055910 gmz12.benchmarkcenter.megware.com 26
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[0] MPI startup(): 28 1056012 gmz12.benchmarkcenter.megware.com 28
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[0] MPI startup(): 30 1055974 gmz12.benchmarkcenter.megware.com 30
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[0] MPI startup(): 32 1056041 gmz12.benchmarkcenter.megware.com 32
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[0] MPI startup(): 37 1056007 gmz12.benchmarkcenter.megware.com 37
[0] MPI startup(): 38 1056033 gmz12.benchmarkcenter.megware.com 38
[0] MPI startup(): 39 1055902 gmz12.benchmarkcenter.megware.com 39
[0] MPI startup(): 40 1055878 gmz12.benchmarkcenter.megware.com 40
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[0] MPI startup(): 43 1055903 gmz12.benchmarkcenter.megware.com 43
[0] MPI startup(): 44 1056049 gmz12.benchmarkcenter.megware.com 44
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[0] MPI startup(): 46 1055980 gmz12.benchmarkcenter.megware.com 46
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[0] MPI startup(): 60 1056032 gmz12.benchmarkcenter.megware.com 60
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[0] MPI startup(): 89 1055908 gmz12.benchmarkcenter.megware.com 89
[0] MPI startup(): 90 1055945 gmz12.benchmarkcenter.megware.com 90
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[0] MPI startup(): 94 1055987 gmz12.benchmarkcenter.megware.com 94
[0] MPI startup(): 95 1055892 gmz12.benchmarkcenter.megware.com 95
[0] MPI startup(): 96 1055880 gmz12.benchmarkcenter.megware.com 96
[0] MPI startup(): 97 1055950 gmz12.benchmarkcenter.megware.com 97
[0] MPI startup(): 98 1056010 gmz12.benchmarkcenter.megware.com 98
[0] MPI startup(): 99 1055932 gmz12.benchmarkcenter.megware.com 99
[0] MPI startup(): 100 1055952 gmz12.benchmarkcenter.megware.com 100
[0] MPI startup(): 101 1055881 gmz12.benchmarkcenter.megware.com 101
[0] MPI startup(): 102 1056040 gmz12.benchmarkcenter.megware.com 102
[0] MPI startup(): 103 1056024 gmz12.benchmarkcenter.megware.com 103
[0] MPI startup(): 104 1055973 gmz12.benchmarkcenter.megware.com 104
[0] MPI startup(): 105 1055986 gmz12.benchmarkcenter.megware.com 105
[0] MPI startup(): 106 1056046 gmz12.benchmarkcenter.megware.com 106
[0] MPI startup(): 107 1055911 gmz12.benchmarkcenter.megware.com 107
[0] MPI startup(): 108 1055959 gmz12.benchmarkcenter.megware.com 108
[0] MPI startup(): 109 1055960 gmz12.benchmarkcenter.megware.com 109
[0] MPI startup(): 110 1055977 gmz12.benchmarkcenter.megware.com 110
[0] MPI startup(): 111 1056054 gmz12.benchmarkcenter.megware.com 111
[0] MPI startup(): 112 1055885 gmz12.benchmarkcenter.megware.com 112
[0] MPI startup(): 113 1055898 gmz12.benchmarkcenter.megware.com 113
[0] MPI startup(): 114 1056001 gmz12.benchmarkcenter.megware.com 114
[0] MPI startup(): 115 1055981 gmz12.benchmarkcenter.megware.com 115
[0] MPI startup(): 116 1055891 gmz12.benchmarkcenter.megware.com 116
[0] MPI startup(): 117 1056030 gmz12.benchmarkcenter.megware.com 117
[0] MPI startup(): 118 1056000 gmz12.benchmarkcenter.megware.com 118
[0] MPI startup(): 119 1056051 gmz12.benchmarkcenter.megware.com 119
[0] MPI startup(): 120 1056006 gmz12.benchmarkcenter.megware.com 120
[0] MPI startup(): 121 1055946 gmz12.benchmarkcenter.megware.com 121
[0] MPI startup(): 122 1055882 gmz12.benchmarkcenter.megware.com 122
[0] MPI startup(): 123 1055929 gmz12.benchmarkcenter.megware.com 123
[0] MPI startup(): 124 1056043 gmz12.benchmarkcenter.megware.com 124
[0] MPI startup(): 125 1055985 gmz12.benchmarkcenter.megware.com 125
[0] MPI startup(): 126 1055912 gmz12.benchmarkcenter.megware.com 126
[0] MPI startup(): 127 1055949 gmz12.benchmarkcenter.megware.com 127
[0] MPI startup(): 128 1055982 gmz12.benchmarkcenter.megware.com 128
[0] MPI startup(): 129 1056013 gmz12.benchmarkcenter.megware.com 129
[0] MPI startup(): 130 1055983 gmz12.benchmarkcenter.megware.com 130
[0] MPI startup(): 131 1055957 gmz12.benchmarkcenter.megware.com 131
[0] MPI startup(): 132 1056044 gmz12.benchmarkcenter.megware.com 132
[0] MPI startup(): 133 1055984 gmz12.benchmarkcenter.megware.com 133
[0] MPI startup(): 134 1055958 gmz12.benchmarkcenter.megware.com 134
[0] MPI startup(): 135 1056017 gmz12.benchmarkcenter.megware.com 135
[0] MPI startup(): 136 1056058 gmz12.benchmarkcenter.megware.com 136
[0] MPI startup(): 137 1055901 gmz12.benchmarkcenter.megware.com 137
[0] MPI startup(): 138 1055948 gmz12.benchmarkcenter.megware.com 138
[0] MPI startup(): 139 1056052 gmz12.benchmarkcenter.megware.com 139
[0] MPI startup(): 140 1056026 gmz12.benchmarkcenter.megware.com 140
[0] MPI startup(): 141 1056027 gmz12.benchmarkcenter.megware.com 141
[0] MPI startup(): 142 1056048 gmz12.benchmarkcenter.megware.com 142
[0] MPI startup(): 143 1055918 gmz12.benchmarkcenter.megware.com 143
[0] MPI startup(): 144 1056045 gmz12.benchmarkcenter.megware.com 144
[0] MPI startup(): 145 1056029 gmz12.benchmarkcenter.megware.com 145
[0] MPI startup(): 146 1055942 gmz12.benchmarkcenter.megware.com 146
[0] MPI startup(): 147 1055927 gmz12.benchmarkcenter.megware.com 147
[0] MPI startup(): 148 1056015 gmz12.benchmarkcenter.megware.com 148
[0] MPI startup(): 149 1056020 gmz12.benchmarkcenter.megware.com 149
[0] MPI startup(): 150 1055947 gmz12.benchmarkcenter.megware.com 150
[0] MPI startup(): 151 1055951 gmz12.benchmarkcenter.megware.com 151
[0] MPI startup(): 152 1056023 gmz12.benchmarkcenter.megware.com 152
[0] MPI startup(): 153 1055988 gmz12.benchmarkcenter.megware.com 153
[0] MPI startup(): 154 1055953 gmz12.benchmarkcenter.megware.com 154
[0] MPI startup(): 155 1055990 gmz12.benchmarkcenter.megware.com 155
[0] MPI startup(): 156 1055924 gmz12.benchmarkcenter.megware.com 156
[0] MPI startup(): 157 1056050 gmz12.benchmarkcenter.megware.com 157
[0] MPI startup(): 158 1055962 gmz12.benchmarkcenter.megware.com 158
[0] MPI startup(): 159 1055925 gmz12.benchmarkcenter.megware.com 159
[0] MPI startup(): 160 1056025 gmz12.benchmarkcenter.megware.com 160
[0] MPI startup(): 161 1055913 gmz12.benchmarkcenter.megware.com 161
[0] MPI startup(): 162 1056064 gmz12.benchmarkcenter.megware.com 162
[0] MPI startup(): 163 1056055 gmz12.benchmarkcenter.megware.com 163
[0] MPI startup(): 164 1055930 gmz12.benchmarkcenter.megware.com 164
[0] MPI startup(): 165 1055964 gmz12.benchmarkcenter.megware.com 165
[0] MPI startup(): 166 1055999 gmz12.benchmarkcenter.megware.com 166
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[0] MPI startup(): 169 1056065 gmz12.benchmarkcenter.megware.com 169
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[0] MPI startup(): 172 1056037 gmz12.benchmarkcenter.megware.com 172
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[0] MPI startup(): 176 1056031 gmz12.benchmarkcenter.megware.com 176
[0] MPI startup(): 177 1055963 gmz12.benchmarkcenter.megware.com 177
[0] MPI startup(): 178 1056047 gmz12.benchmarkcenter.megware.com 178
[0] MPI startup(): 179 1056022 gmz12.benchmarkcenter.megware.com 179
[0] MPI startup(): 180 1055907 gmz12.benchmarkcenter.megware.com 180
[0] MPI startup(): 181 1055991 gmz12.benchmarkcenter.megware.com 181
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[0] MPI startup(): 183 1056066 gmz12.benchmarkcenter.megware.com 183
[0] MPI startup(): 184 1055992 gmz12.benchmarkcenter.megware.com 184
[0] MPI startup(): 185 1055919 gmz12.benchmarkcenter.megware.com 185
[0] MPI startup(): 186 1056068 gmz12.benchmarkcenter.megware.com 186
[0] MPI startup(): 187 1056034 gmz12.benchmarkcenter.megware.com 187
[0] MPI startup(): 188 1056067 gmz12.benchmarkcenter.megware.com 188
[0] MPI startup(): 189 1055928 gmz12.benchmarkcenter.megware.com 189
[0] MPI startup(): 190 1055961 gmz12.benchmarkcenter.megware.com 190
[0] MPI startup(): 191 1055969 gmz12.benchmarkcenter.megware.com 191
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.615 3.615 3.615
Created orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
8 by 4 by 6 MPI processor grid
Created 32768000 atoms
using lattice units in orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
create_atoms CPU = 0.013 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 68.4 | 69.61 | 70.89 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 1.48324 on 192 procs for 10 steps with 32768000 atoms
Performance: 2.913 ns/day, 8.240 hours/ns, 6.742 timesteps/s, 220.922 Matom-step/s
98.6% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0953 | 1.115 | 1.1429 | 0.8 | 75.18
Neigh | 0.17842 | 0.18518 | 0.19271 | 0.7 | 12.49
Comm | 0.051319 | 0.074476 | 0.099089 | 3.3 | 5.02
Output | 0.0019866 | 0.0028307 | 0.0061279 | 1.2 | 0.19
Modify | 0.054272 | 0.076128 | 0.087044 | 2.1 | 5.13
Other | | 0.02958 | | | 1.99
Nlocal: 170667 ave 171308 max 169512 min
Histogram: 64 0 0 0 0 0 0 0 13 115
Nghost: 55997.1 ave 56418 max 55762 min
Histogram: 27 61 32 8 0 4 15 27 13 5
Neighs: 6.42419e+06 ave 6.47799e+06 max 6.37962e+06 min
Histogram: 64 0 1 56 7 0 0 0 2 62
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 68.74 | 69.77 | 70.91 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 100.842 on 192 procs for 500 steps with 32768000 atoms
Performance: 2.142 ns/day, 11.205 hours/ns, 4.958 timesteps/s, 162.473 Matom-step/s
99.0% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 74.257 | 75.453 | 77.178 | 7.7 | 74.82
Neigh | 16.192 | 16.567 | 16.926 | 4.6 | 16.43
Comm | 2.7981 | 4.5192 | 6.068 | 31.3 | 4.48
Output | 0.016042 | 0.018256 | 0.023374 | 1.4 | 0.02
Modify | 2.2389 | 2.9569 | 3.5341 | 16.7 | 2.93
Other | | 1.328 | | | 1.32
Nlocal: 170667 ave 171683 max 169136 min
Histogram: 6 31 24 3 0 0 10 43 59 16
Nghost: 55896.7 ave 56658 max 55273 min
Histogram: 5 9 23 43 36 39 24 7 4 2
Neighs: 6.44217e+06 ave 6.50586e+06 max 6.38063e+06 min
Histogram: 8 36 22 19 34 9 0 10 26 28
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:43
[MAQAO] Info: 191/192 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758148523/tools/lprof_npsu_run_0 #
#######################################################################################################################################################################################################################
