* [MAQAO] Info: Detected 96 Lprof instances in ip-172-31-47-249.ec2.internal.
If this is incorrect, rerun with number-processes-per-node=X
[0mOMP: pid 205150 tid 205150 thread 0 bound to OS proc set {95}
OMP: pid 205076 tid 205076 thread 0 bound to OS proc set {58}
OMP: pid 205074 tid 205074 thread 0 bound to OS proc set {52}
OMP: pid 205078 tid 205078 thread 0 bound to OS proc set {56}
OMP: pid 205077 tid 205077 thread 0 bound to OS proc set {57}
OMP: pid 205070 tid 205070 thread 0 bound to OS proc set {50}
OMP: pid 205069 tid 205069 thread 0 bound to OS proc set {48}
OMP: pid 205068 tid 205068 thread 0 bound to OS proc set {49}
OMP: pid 205064 tid 205064 thread 0 bound to OS proc set {44}
OMP: pid 205081 tid 205081 thread 0 bound to OS proc set {55}
OMP: pid 205071 tid 205071 thread 0 bound to OS proc set {54}
OMP: pid 205072 tid 205072 thread 0 bound to OS proc set {47}
OMP: pid 205073 tid 205073 thread 0 bound to OS proc set {53}
OMP: pid 205104 tid 205104 thread 0 bound to OS proc set {72}
OMP: pid 205066 tid 205066 thread 0 bound to OS proc set {45}
OMP: pid 205089 tid 205089 thread 0 bound to OS proc set {62}
OMP: pid 205083 tid 205083 thread 0 bound to OS proc set {60}
OMP: pid 205075 tid 205075 thread 0 bound to OS proc set {51}
OMP: pid 205106 tid 205106 thread 0 bound to OS proc set {74}
OMP: pid 205092 tid 205092 thread 0 bound to OS proc set {59}
OMP: pid 205093 tid 205093 thread 0 bound to OS proc set {65}
OMP: pid 205058 tid 205058 thread 0 bound to OS proc set {37}
OMP: pid 205100 tid 205100 thread 0 bound to OS proc set {68}
OMP: pid 205101 tid 205101 thread 0 bound to OS proc set {70}
OMP: pid 205060 tid 205060 thread 0 bound to OS proc set {41}
OMP: pid 205091 tid 205091 thread 0 bound to OS proc set {61}
OMP: pid 205099 tid 205099 thread 0 bound to OS proc set {63}
OMP: pid 205149 tid 205149 thread 0 bound to OS proc set {91}
OMP: pid 205137 tid 205137 thread 0 bound to OS proc set {83}
OMP: pid 205142 tid 205142 thread 0 bound to OS proc set {90}
OMP: pid 205086 tid 205086 thread 0 bound to OS proc set {11}
OMP: pid 205108 tid 205108 thread 0 bound to OS proc set {78}
OMP: pid 205103 tid 205103 thread 0 bound to OS proc set {67}
OMP: pid 205105 tid 205105 thread 0 bound to OS proc set {71}
OMP: pid 205146 tid 205146 thread 0 bound to OS proc set {92}
OMP: pid 205118 tid 205118 thread 0 bound to OS proc set {81}
OMP: pid 205107 tid 205107 thread 0 bound to OS proc set {73}
OMP: pid 205111 tid 205111 thread 0 bound to OS proc set {76}
OMP: pid 205082 tid 205082 thread 0 bound to OS proc set {8}
OMP: pid 205096 tid 205096 thread 0 bound to OS proc set {64}
OMP: pid 205147 tid 205147 thread 0 bound to OS proc set {93}
OMP: pid 205117 tid 205117 thread 0 bound to OS proc set {75}
OMP: pid 205121 tid 205121 thread 0 bound to OS proc set {82}
OMP: pid 205148 tid 205148 thread 0 bound to OS proc set {94}
OMP: pid 205065 tid 205065 thread 0 bound to OS proc set {46}
OMP: pid 205062 tid 205062 thread 0 bound to OS proc set {39}
OMP: pid 205110 tid 205110 thread 0 bound to OS proc set {77}
OMP: pid 205056 tid 205056 thread 0 bound to OS proc set {36}
OMP: pid 205115 tid 205115 thread 0 bound to OS proc set {80}
OMP: pid 205102 tid 205102 thread 0 bound to OS proc set {69}
OMP: pid 205098 tid 205098 thread 0 bound to OS proc set {66}
OMP: pid 205087 tid 205087 thread 0 bound to OS proc set {13}
OMP: pid 205125 tid 205125 thread 0 bound to OS proc set {79}
OMP: pid 205088 tid 205088 thread 0 bound to OS proc set {14}
OMP: pid 205141 tid 205141 thread 0 bound to OS proc set {89}
OMP: pid 205122 tid 205122 thread 0 bound to OS proc set {24}
OMP: pid 205059 tid 205059 thread 0 bound to OS proc set {35}
OMP: pid 205119 tid 205119 thread 0 bound to OS proc set {25}
OMP: pid 205055 tid 205055 thread 0 bound to OS proc set {1}
OMP: pid 205140 tid 205140 thread 0 bound to OS proc set {88}
OMP: pid 205123 tid 205123 thread 0 bound to OS proc set {0}
OMP: pid 205085 tid 205085 thread 0 bound to OS proc set {12}
OMP: pid 205129 tid 205129 thread 0 bound to OS proc set {3}
OMP: pid 205084 tid 205084 thread 0 bound to OS proc set {10}
OMP: pid 205124 tid 205124 thread 0 bound to OS proc set {27}
OMP: pid 205144 tid 205144 thread 0 bound to OS proc set {87}
OMP: pid 205057 tid 205057 thread 0 bound to OS proc set {38}
OMP: pid 205120 tid 205120 thread 0 bound to OS proc set {26}
OMP: pid 205127 tid 205127 thread 0 bound to OS proc set {2}
OMP: pid 205145 tid 205145 thread 0 bound to OS proc set {34}
OMP: pid 205126 tid 205126 thread 0 bound to OS proc set {86}
OMP: pid 205063 tid 205063 thread 0 bound to OS proc set {42}
LAMMPS (22 Jul 2025)
OMP: pid 205090 tid 205090 thread 0 bound to OS proc set {15}
OMP: pid 205097 tid 205097 thread 0 bound to OS proc set {17}
OMP: pid 205133 tid 205133 thread 0 bound to OS proc set {28}
OMP: pid 205094 tid 205094 thread 0 bound to OS proc set {16}
using 1 OpenMP thread(s) per MPI task
OMP: pid 205079 tid 205079 thread 0 bound to OS proc set {9}
OMP: pid 205128 tid 205128 thread 0 bound to OS proc set {29}
OMP: pid 205139 tid 205139 thread 0 bound to OS proc set {31}
OMP: pid 205067 tid 205067 thread 0 bound to OS proc set {43}
OMP: pid 205130 tid 205130 thread 0 bound to OS proc set {84}
OMP: pid 205112 tid 205112 thread 0 bound to OS proc set {21}
OMP: pid 205138 tid 205138 thread 0 bound to OS proc set {33}
OMP: pid 205135 tid 205135 thread 0 bound to OS proc set {4}
OMP: pid 205113 tid 205113 thread 0 bound to OS proc set {20}
OMP: pid 205114 tid 205114 thread 0 bound to OS proc set {22}
OMP: pid 205061 tid 205061 thread 0 bound to OS proc set {40}
OMP: pid 205136 tid 205136 thread 0 bound to OS proc set {85}
OMP: pid 205131 tid 205131 thread 0 bound to OS proc set {5}
OMP: pid 205132 tid 205132 thread 0 bound to OS proc set {6}
OMP: pid 205095 tid 205095 thread 0 bound to OS proc set {18}
OMP: pid 205109 tid 205109 thread 0 bound to OS proc set {19}
OMP: pid 205116 tid 205116 thread 0 bound to OS proc set {23}
OMP: pid 205134 tid 205134 thread 0 bound to OS proc set {30}
OMP: pid 205143 tid 205143 thread 0 bound to OS proc set {32}
OMP: pid 205080 tid 205080 thread 0 bound to OS proc set {7}
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)
6 by 4 by 4 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 = 0.062 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) = 133.3 | 135.2 | 136.8 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.61659 -1.1120972e+08 0 -1.091952e+08 64949.732
Loop time of 2.70136 on 96 procs for 10 steps with 32768000 atoms
Performance: 1.599 ns/day, 15.008 hours/ns, 3.702 timesteps/s, 121.302 Matom-step/s
99.4% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.0069 | 2.0467 | 2.0848 | 1.4 | 75.77
Neigh | 0.31213 | 0.31667 | 0.32217 | 0.4 | 11.72
Comm | 0.063834 | 0.10958 | 0.15272 | 6.4 | 4.06
Output | 0.0027886 | 0.0028775 | 0.0031182 | 0.1 | 0.11
Modify | 0.1699 | 0.18229 | 0.18798 | 0.7 | 6.75
Other | | 0.04324 | | | 1.60
Nlocal: 341333 ave 342550 max 340635 min
Histogram: 39 25 0 0 0 0 0 0 11 21
Nghost: 87173.1 ave 88346 max 85099 min
Histogram: 32 0 0 0 0 0 0 0 2 62
Neighs: 1.28138e+07 ave 1.28704e+07 max 1.27717e+07 min
Histogram: 12 18 14 17 3 0 4 12 5 11
Total # of neighbors = 1.2301205e+09
Ave neighs/atom = 37.540299
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) = 133.3 | 135.3 | 137.2 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.61659 -1.1120972e+08 0 -1.091952e+08 64949.732
50 780.66035 -1.1250592e+08 0 -1.0919935e+08 52288.914
100 798.44003 -1.1258168e+08 0 -1.0919981e+08 51469.262
110 797.58056 -1.1257807e+08 0 -1.0919984e+08 51503.229
Loop time of 38.1451 on 96 procs for 100 steps with 32768000 atoms
Performance: 1.133 ns/day, 21.192 hours/ns, 2.622 timesteps/s, 85.904 Matom-step/s
99.6% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 28.725 | 29.019 | 29.255 | 2.6 | 76.08
Neigh | 5.5896 | 5.7116 | 5.8414 | 2.6 | 14.97
Comm | 0.96964 | 1.2936 | 1.6716 | 16.5 | 3.39
Output | 0.0084192 | 0.0086756 | 0.009172 | 0.2 | 0.02
Modify | 1.6114 | 1.7467 | 1.8109 | 4.5 | 4.58
Other | | 0.3651 | | | 0.96
Nlocal: 341333 ave 342676 max 340281 min
Histogram: 6 21 22 14 1 0 0 2 15 15
Nghost: 87085.4 ave 88566 max 84969 min
Histogram: 21 11 0 0 0 0 1 15 36 12
Neighs: 1.28772e+07 ave 1.29441e+07 max 1.2825e+07 min
Histogram: 7 11 20 16 9 2 8 8 11 4
Total # of neighbors = 1.2362091e+09
Ave neighs/atom = 37.726109
Neighbor list builds = 17
Dangerous builds = 4
Total wall time: 0:00:42
[MAQAO] Info: 95/96 lprof instances finished
Your experiment path is /home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
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# Functions | Cluster-wide | maqao lprof -df xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home/eoseret/Tools/QaaS/qaas_runs/175-397-2310/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1753972911/tools/lprof_npsu_run_0 #
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