* [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 246496 tid 246496 thread 0 bound to OS proc set {93}
OMP: pid 246547 tid 246547 thread 0 bound to OS proc set {53}
OMP: pid 246504 tid 246504 thread 0 bound to OS proc set {24}
OMP: pid 246553 tid 246553 thread 0 bound to OS proc set {2}
OMP: pid 246545 tid 246545 thread 0 bound to OS proc set {49}
OMP: pid 246497 tid 246497 thread 0 bound to OS proc set {91}
OMP: pid 246499 tid 246499 thread 0 bound to OS proc set {95}
OMP: pid 246529 tid 246529 thread 0 bound to OS proc set {37}
OMP: pid 246519 tid 246519 thread 0 bound to OS proc set {33}
OMP: pid 246564 tid 246564 thread 0 bound to OS proc set {62}
OMP: pid 246548 tid 246548 thread 0 bound to OS proc set {51}
OMP: pid 246592 tid 246592 thread 0 bound to OS proc set {92}
OMP: pid 246537 tid 246537 thread 0 bound to OS proc set {42}
OMP: pid 246527 tid 246527 thread 0 bound to OS proc set {34}
OMP: pid 246532 tid 246532 thread 0 bound to OS proc set {38}
OMP: pid 246543 tid 246543 thread 0 bound to OS proc set {47}
OMP: pid 246494 tid 246494 thread 0 bound to OS proc set {0}
OMP: pid 246536 tid 246536 thread 0 bound to OS proc set {41}
OMP: pid 246570 tid 246570 thread 0 bound to OS proc set {72}
OMP: pid 246509 tid 246509 thread 0 bound to OS proc set {26}
OMP: pid 246525 tid 246525 thread 0 bound to OS proc set {36}
OMP: pid 246495 tid 246495 thread 0 bound to OS proc set {90}
OMP: pid 246523 tid 246523 thread 0 bound to OS proc set {35}
OMP: pid 246586 tid 246586 thread 0 bound to OS proc set {82}
OMP: pid 246498 tid 246498 thread 0 bound to OS proc set {94}
OMP: pid 246551 tid 246551 thread 0 bound to OS proc set {60}
OMP: pid 246593 tid 246593 thread 0 bound to OS proc set {89}
OMP: pid 246511 tid 246511 thread 0 bound to OS proc set {25}
OMP: pid 246560 tid 246560 thread 0 bound to OS proc set {61}
OMP: pid 246562 tid 246562 thread 0 bound to OS proc set {63}
OMP: pid 246571 tid 246571 thread 0 bound to OS proc set {73}
OMP: pid 246582 tid 246582 thread 0 bound to OS proc set {77}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 246533 tid 246533 thread 0 bound to OS proc set {39}
OMP: pid 246538 tid 246538 thread 0 bound to OS proc set {48}
OMP: pid 246577 tid 246577 thread 0 bound to OS proc set {75}
OMP: pid 246587 tid 246587 thread 0 bound to OS proc set {83}
OMP: pid 246541 tid 246541 thread 0 bound to OS proc set {46}
OMP: pid 246576 tid 246576 thread 0 bound to OS proc set {74}
OMP: pid 246544 tid 246544 thread 0 bound to OS proc set {50}
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)
OMP: pid 246563 tid 246563 thread 0 bound to OS proc set {68}
OMP: pid 246572 tid 246572 thread 0 bound to OS proc set {70}
OMP: pid 246580 tid 246580 thread 0 bound to OS proc set {80}
OMP: pid 246542 tid 246542 thread 0 bound to OS proc set {52}
OMP: pid 246524 tid 246524 thread 0 bound to OS proc set {12}
OMP: pid 246535 tid 246535 thread 0 bound to OS proc set {44}
OMP: pid 246549 tid 246549 thread 0 bound to OS proc set {54}
OMP: pid 246521 tid 246521 thread 0 bound to OS proc set {11}
OMP: pid 246565 tid 246565 thread 0 bound to OS proc set {67}
OMP: pid 246573 tid 246573 thread 0 bound to OS proc set {71}
OMP: pid 246575 tid 246575 thread 0 bound to OS proc set {76}
OMP: pid 246584 tid 246584 thread 0 bound to OS proc set {81}
OMP: pid 246520 tid 246520 thread 0 bound to OS proc set {9}
OMP: pid 246534 tid 246534 thread 0 bound to OS proc set {16}
OMP: pid 246546 tid 246546 thread 0 bound to OS proc set {56}
OMP: pid 246555 tid 246555 thread 0 bound to OS proc set {58}
OMP: pid 246566 tid 246566 thread 0 bound to OS proc set {65}
OMP: pid 246581 tid 246581 thread 0 bound to OS proc set {79}
OMP: pid 246552 tid 246552 thread 0 bound to OS proc set {1}
OMP: pid 246561 tid 246561 thread 0 bound to OS proc set {59}
OMP: pid 246567 tid 246567 thread 0 bound to OS proc set {66}
OMP: pid 246578 tid 246578 thread 0 bound to OS proc set {78}
OMP: pid 246585 tid 246585 thread 0 bound to OS proc set {88}
OMP: pid 246530 tid 246530 thread 0 bound to OS proc set {14}
OMP: pid 246558 tid 246558 thread 0 bound to OS proc set {57}
OMP: pid 246559 tid 246559 thread 0 bound to OS proc set {64}
OMP: pid 246568 tid 246568 thread 0 bound to OS proc set {69}
OMP: pid 246556 tid 246556 thread 0 bound to OS proc set {3}
OMP: pid 246528 tid 246528 thread 0 bound to OS proc set {13}
OMP: pid 246508 tid 246508 thread 0 bound to OS proc set {27}
OMP: pid 246512 tid 246512 thread 0 bound to OS proc set {32}
OMP: pid 246591 tid 246591 thread 0 bound to OS proc set {87}
OMP: pid 246517 tid 246517 thread 0 bound to OS proc set {8}
OMP: pid 246522 tid 246522 thread 0 bound to OS proc set {10}
OMP: pid 246513 tid 246513 thread 0 bound to OS proc set {30}
OMP: pid 246539 tid 246539 thread 0 bound to OS proc set {45}
OMP: pid 246550 tid 246550 thread 0 bound to OS proc set {55}
OMP: pid 246588 tid 246588 thread 0 bound to OS proc set {86}
OMP: pid 246515 tid 246515 thread 0 bound to OS proc set {29}
OMP: pid 246516 tid 246516 thread 0 bound to OS proc set {6}
OMP: pid 246503 tid 246503 thread 0 bound to OS proc set {18}
OMP: pid 246505 tid 246505 thread 0 bound to OS proc set {22}
OMP: pid 246518 tid 246518 thread 0 bound to OS proc set {7}
OMP: pid 246502 tid 246502 thread 0 bound to OS proc set {17}
OMP: pid 246500 tid 246500 thread 0 bound to OS proc set {20}
OMP: pid 246507 tid 246507 thread 0 bound to OS proc set {21}
OMP: pid 246514 tid 246514 thread 0 bound to OS proc set {31}
OMP: pid 246526 tid 246526 thread 0 bound to OS proc set {40}
OMP: pid 246540 tid 246540 thread 0 bound to OS proc set {43}
OMP: pid 246583 tid 246583 thread 0 bound to OS proc set {84}
OMP: pid 246589 tid 246589 thread 0 bound to OS proc set {85}
OMP: pid 246554 tid 246554 thread 0 bound to OS proc set {4}
OMP: pid 246557 tid 246557 thread 0 bound to OS proc set {5}
OMP: pid 246531 tid 246531 thread 0 bound to OS proc set {15}
OMP: pid 246501 tid 246501 thread 0 bound to OS proc set {19}
OMP: pid 246506 tid 246506 thread 0 bound to OS proc set {23}
OMP: pid 246510 tid 246510 thread 0 bound to OS proc set {28}
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 2.70743 on 96 procs for 10 steps with 32768000 atoms
Performance: 1.596 ns/day, 15.041 hours/ns, 3.694 timesteps/s, 121.030 Matom-step/s
99.7% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.0178 | 2.0592 | 2.0975 | 1.4 | 76.06
Neigh | 0.30718 | 0.31143 | 0.31832 | 0.5 | 11.50
Comm | 0.067058 | 0.111 | 0.15328 | 6.4 | 4.10
Output | 0.0027941 | 0.0028878 | 0.0031395 | 0.1 | 0.11
Modify | 0.15708 | 0.17937 | 0.18665 | 1.4 | 6.63
Other | | 0.04358 | | | 1.61
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 38.1428 on 96 procs for 100 steps with 32768000 atoms
Performance: 1.133 ns/day, 21.190 hours/ns, 2.622 timesteps/s, 85.909 Matom-step/s
99.7% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 28.852 | 29.144 | 29.414 | 2.5 | 76.41
Neigh | 5.494 | 5.626 | 5.7857 | 2.9 | 14.75
Comm | 0.90394 | 1.2359 | 1.6312 | 17.2 | 3.24
Output | 0.008469 | 0.0087818 | 0.0096006 | 0.3 | 0.02
Modify | 1.6351 | 1.7691 | 1.8198 | 4.5 | 4.64
Other | | 0.3591 | | | 0.94
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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/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/compilers/armclang_3/oneview_results_1753974804/tools/lprof_npsu_run_0 #
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