* [MAQAO] Info: Detected 8 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 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1060831 gmz12.benchmarkcenter.megware.com {0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,192,193,194,195,19
6,197,198,199,200,201,202,203,204,205,206,207,208,209,210,211,212,213,214,215}
[0] MPI startup(): 1 1060827 gmz12.benchmarkcenter.megware.com {24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,216,217,
218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,236,237,
238,239}
[0] MPI startup(): 2 1060828 gmz12.benchmarkcenter.megware.com {48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,240,241,
242,243,244,245,246,247,248,249,250,251,252,253,254,255,256,257,258,259,260,261,
262,263}
[0] MPI startup(): 3 1060826 gmz12.benchmarkcenter.megware.com {72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,264,265,
266,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,
286,287}
[0] MPI startup(): 4 1060832 gmz12.benchmarkcenter.megware.com {96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,116,
117,118,119,288,289,290,291,292,293,294,295,296,297,298,299,300,301,302,303,304,
305,306,307,308,309,310,311}
[0] MPI startup(): 5 1060825 gmz12.benchmarkcenter.megware.com {120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,
140,141,142,143,312,313,314,315,316,317,318,319,320,321,322,323,324,325,326,327,
328,329,330,331,332,333,334,335}
[0] MPI startup(): 6 1060829 gmz12.benchmarkcenter.megware.com {144,145,146,147,148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,
164,165,166,167,336,337,338,339,340,341,342,343,344,345,346,347,348,349,350,351,
352,353,354,355,356,357,358,359}
[0] MPI startup(): 7 1060830 gmz12.benchmarkcenter.megware.com {168,169,170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,
188,189,190,191,360,361,362,363,364,365,366,367,368,369,370,371,372,373,374,375,
376,377,378,379,380,381,382,383}
OMP: pid 1060832 tid 1060832 thread 0 bound to OS proc set {96}
OMP: pid 1060827 tid 1060827 thread 0 bound to OS proc set {24}
OMP: pid 1060826 tid 1060826 thread 0 bound to OS proc set {72}
OMP: pid 1060830 tid 1060830 thread 0 bound to OS proc set {168}
OMP: pid 1060831 tid 1060831 thread 0 bound to OS proc set {0}
OMP: pid 1060828 tid 1060828 thread 0 bound to OS proc set {48}
OMP: pid 1060829 tid 1060829 thread 0 bound to OS proc set {144}
OMP: pid 1060825 tid 1060825 thread 0 bound to OS proc set {120}
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)
2 by 2 by 2 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 = 0.124 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) = 1481 | 1482 | 1483 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 21.9097 on 8 procs for 10 steps with 32768000 atoms
Performance: 0.197 ns/day, 121.721 hours/ns, 0.456 timesteps/s, 14.956 Matom-step/s
99.5% CPU use with 8 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 18.324 | 18.388 | 18.407 | 0.6 | 83.92
Neigh | 3.1345 | 3.1448 | 3.153 | 0.3 | 14.35
Comm | 0.095815 | 0.11574 | 0.18191 | 7.9 | 0.53
Output | 0.0056352 | 0.0057481 | 0.0058829 | 0.1 | 0.03
Modify | 0.1889 | 0.19134 | 0.19339 | 0.3 | 0.87
Other | | 0.06441 | | | 0.29
Nlocal: 4.096e+06 ave 4.09634e+06 max 4.09569e+06 min
Histogram: 1 0 1 0 3 2 0 0 0 1
Nghost: 463851 ave 464164 max 463508 min
Histogram: 1 0 0 0 2 3 0 1 0 1
Neighs: 1.54181e+08 ave 1.54189e+08 max 1.54171e+08 min
Histogram: 1 0 0 1 1 2 0 2 0 1
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) = 1481 | 1482 | 1483 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 1568.74 on 8 procs for 500 steps with 32768000 atoms
Performance: 0.138 ns/day, 174.304 hours/ns, 0.319 timesteps/s, 10.444 Matom-step/s
99.5% CPU use with 8 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1263.3 | 1264.9 | 1266.9 | 3.4 | 80.63
Neigh | 281.66 | 282.43 | 283.34 | 3.5 | 18.00
Comm | 6.1221 | 8.9624 | 11.367 | 60.1 | 0.57
Output | 0.062548 | 0.064169 | 0.064912 | 0.3 | 0.00
Modify | 9.1457 | 9.4017 | 9.5946 | 4.6 | 0.60
Other | | 2.946 | | | 0.19
Nlocal: 4.096e+06 ave 4.09732e+06 max 4.09524e+06 min
Histogram: 1 1 3 1 0 0 1 0 0 1
Nghost: 463820 ave 464581 max 462504 min
Histogram: 1 0 0 1 0 0 1 3 1 1
Neighs: 1.54612e+08 ave 1.54672e+08 max 1.54579e+08 min
Histogram: 2 0 2 2 0 0 1 0 0 1
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:26:40
[MAQAO] Info: 7/8 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_0 #
######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 64 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 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1061291 gmz12.benchmarkcenter.megware.com {0,1,2,192,193,194}
[0] MPI startup(): 1 1061246 gmz12.benchmarkcenter.megware.com {3,4,5,195,196,197}
[0] MPI startup(): 2 1061287 gmz12.benchmarkcenter.megware.com {6,7,8,198,199,200}
[0] MPI startup(): 3 1061263 gmz12.benchmarkcenter.megware.com {9,10,11,201,202,203}
[0] MPI startup(): 4 1061257 gmz12.benchmarkcenter.megware.com {12,13,14,204,205,206}
[0] MPI startup(): 5 1061292 gmz12.benchmarkcenter.megware.com {15,16,17,207,208,209}
[0] MPI startup(): 6 1061266 gmz12.benchmarkcenter.megware.com {18,19,20,210,211,212}
[0] MPI startup(): 7 1061232 gmz12.benchmarkcenter.megware.com {21,22,23,213,214,215}
[0] MPI startup(): 8 1061244 gmz12.benchmarkcenter.megware.com {24,25,26,216,217,218}
[0] MPI startup(): 9 1061236 gmz12.benchmarkcenter.megware.com {27,28,29,219,220,221}
[0] MPI startup(): 10 1061242 gmz12.benchmarkcenter.megware.com {30,31,32,222,223,224}
[0] MPI startup(): 11 1061254 gmz12.benchmarkcenter.megware.com {33,34,35,225,226,227}
[0] MPI startup(): 12 1061233 gmz12.benchmarkcenter.megware.com {36,37,38,228,229,230}
[0] MPI startup(): 13 1061238 gmz12.benchmarkcenter.megware.com {39,40,41,231,232,233}
[0] MPI startup(): 14 1061258 gmz12.benchmarkcenter.megware.com {42,43,44,234,235,236}
[0] MPI startup(): 15 1061267 gmz12.benchmarkcenter.megware.com {45,46,47,237,238,239}
[0] MPI startup(): 16 1061251 gmz12.benchmarkcenter.megware.com {48,49,50,240,241,242}
[0] MPI startup(): 17 1061262 gmz12.benchmarkcenter.megware.com {51,52,53,243,244,245}
[0] MPI startup(): 18 1061239 gmz12.benchmarkcenter.megware.com {54,55,56,246,247,248}
[0] MPI startup(): 19 1061284 gmz12.benchmarkcenter.megware.com {57,58,59,249,250,251}
[0] MPI startup(): 20 1061283 gmz12.benchmarkcenter.megware.com {60,61,62,252,253,254}
[0] MPI startup(): 21 1061240 gmz12.benchmarkcenter.megware.com {63,64,65,255,256,257}
[0] MPI startup(): 22 1061278 gmz12.benchmarkcenter.megware.com {66,67,68,258,259,260}
[0] MPI startup(): 23 1061272 gmz12.benchmarkcenter.megware.com {69,70,71,261,262,263}
[0] MPI startup(): 24 1061296 gmz12.benchmarkcenter.megware.com {72,73,74,264,265,266}
[0] MPI startup(): 25 1061235 gmz12.benchmarkcenter.megware.com {75,76,77,267,268,269}
[0] MPI startup(): 26 1061277 gmz12.benchmarkcenter.megware.com {78,79,80,270,271,272}
[0] MPI startup(): 27 1061288 gmz12.benchmarkcenter.megware.com {81,82,83,273,274,275}
[0] MPI startup(): 28 1061247 gmz12.benchmarkcenter.megware.com {84,85,86,276,277,278}
[0] MPI startup(): 29 1061282 gmz12.benchmarkcenter.megware.com {87,88,89,279,280,281}
[0] MPI startup(): 30 1061294 gmz12.benchmarkcenter.megware.com {90,91,92,282,283,284}
[0] MPI startup(): 31 1061273 gmz12.benchmarkcenter.megware.com {93,94,95,285,286,287}
[0] MPI startup(): 32 1061241 gmz12.benchmarkcenter.megware.com {96,97,98,288,289,290}
[0] MPI startup(): 33 1061271 gmz12.benchmarkcenter.megware.com {99,100,101,291,292,293}
[0] MPI startup(): 34 1061276 gmz12.benchmarkcenter.megware.com {102,103,104,294,295,296}
[0] MPI startup(): 35 1061234 gmz12.benchmarkcenter.megware.com {105,106,107,297,298,299}
[0] MPI startup(): 36 1061293 gmz12.benchmarkcenter.megware.com {108,109,110,300,301,302}
[0] MPI startup(): 37 1061260 gmz12.benchmarkcenter.megware.com {111,112,113,303,304,305}
[0] MPI startup(): 38 1061237 gmz12.benchmarkcenter.megware.com {114,115,116,306,307,308}
[0] MPI startup(): 39 1061269 gmz12.benchmarkcenter.megware.com {117,118,119,309,310,311}
[0] MPI startup(): 40 1061289 gmz12.benchmarkcenter.megware.com {120,121,122,312,313,314}
[0] MPI startup(): 41 1061252 gmz12.benchmarkcenter.megware.com {123,124,125,315,316,317}
[0] MPI startup(): 42 1061270 gmz12.benchmarkcenter.megware.com {126,127,128,318,319,320}
[0] MPI startup(): 43 1061281 gmz12.benchmarkcenter.megware.com {129,130,131,321,322,323}
[0] MPI startup(): 44 1061253 gmz12.benchmarkcenter.megware.com {132,133,134,324,325,326}
[0] MPI startup(): 45 1061286 gmz12.benchmarkcenter.megware.com {135,136,137,327,328,329}
[0] MPI startup(): 46 1061274 gmz12.benchmarkcenter.megware.com {138,139,140,330,331,332}
[0] MPI startup(): 47 1061275 gmz12.benchmarkcenter.megware.com {141,142,143,333,334,335}
[0] MPI startup(): 48 1061295 gmz12.benchmarkcenter.megware.com {144,145,146,336,337,338}
[0] MPI startup(): 49 1061256 gmz12.benchmarkcenter.megware.com {147,148,149,339,340,341}
[0] MPI startup(): 50 1061255 gmz12.benchmarkcenter.megware.com {150,151,152,342,343,344}
[0] MPI startup(): 51 1061243 gmz12.benchmarkcenter.megware.com {153,154,155,345,346,347}
[0] MPI startup(): 52 1061249 gmz12.benchmarkcenter.megware.com {156,157,158,348,349,350}
[0] MPI startup(): 53 1061261 gmz12.benchmarkcenter.megware.com {159,160,161,351,352,353}
[0] MPI startup(): 54 1061259 gmz12.benchmarkcenter.megware.com {162,163,164,354,355,356}
[0] MPI startup(): 55 1061290 gmz12.benchmarkcenter.megware.com {165,166,167,357,358,359}
[0] MPI startup(): 56 1061268 gmz12.benchmarkcenter.megware.com {168,169,170,360,361,362}
[0] MPI startup(): 57 1061279 gmz12.benchmarkcenter.megware.com {171,172,173,363,364,365}
[0] MPI startup(): 58 1061248 gmz12.benchmarkcenter.megware.com {174,175,176,366,367,368}
[0] MPI startup(): 59 1061264 gmz12.benchmarkcenter.megware.com {177,178,179,369,370,371}
[0] MPI startup(): 60 1061265 gmz12.benchmarkcenter.megware.com {180,181,182,372,373,374}
[0] MPI startup(): 61 1061245 gmz12.benchmarkcenter.megware.com {183,184,185,375,376,377}
[0] MPI startup(): 62 1061280 gmz12.benchmarkcenter.megware.com {186,187,188,378,379,380}
[0] MPI startup(): 63 1061250 gmz12.benchmarkcenter.megware.com {189,190,191,381,382,383}
OMP: pid 1061264 tid 1061264 thread 0 bound to OS proc set {177}
OMP: pid 1061234 tid 1061234 thread 0 bound to OS proc set {105}
OMP: pid 1061287 tid 1061287 thread 0 bound to OS proc set {6}
OMP: pid 1061274 tid 1061274 thread 0 bound to OS proc set {138}
OMP: pid 1061296 tid 1061296 thread 0 bound to OS proc set {72}
OMP: pid 1061272 tid 1061272 thread 0 bound to OS proc set {69}
OMP: pid 1061277 tid 1061277 thread 0 bound to OS proc set {78}
OMP: pid 1061244 tid 1061244 thread 0 bound to OS proc set {24}
OMP: pid 1061251 tid 1061251 thread 0 bound to OS proc set {48}
OMP: pid 1061250 tid 1061250 thread 0 bound to OS proc set {189}
OMP: pid 1061260 tid 1061260 thread 0 bound to OS proc set {111}
OMP: pid 1061291 tid 1061291 thread 0 bound to OS proc set {0}
OMP: pid 1061292 tid 1061292 thread 0 bound to OS proc set {15}
OMP: pid 1061245 tid 1061245 thread 0 bound to OS proc set {183}
OMP: pid 1061261 tid 1061261 thread 0 bound to OS proc set {159}
OMP: pid 1061255 tid 1061255 thread 0 bound to OS proc set {150}
LAMMPS (22 Jul 2025)
OMP: pid 1061236 tid 1061236 thread 0 bound to OS proc set {27}
OMP: pid 1061290 tid 1061290 thread 0 bound to OS proc set {165}
OMP: pid 1061265 tid 1061265 thread 0 bound to OS proc set {180}
OMP: pid 1061279 tid 1061279 thread 0 bound to OS proc set {171}
OMP: pid 1061294 tid 1061294 thread 0 bound to OS proc set {90}
OMP: pid 1061242 tid 1061242 thread 0 bound to OS proc set {30}
OMP: pid 1061237 tid 1061237 thread 0 bound to OS proc set {114}
OMP: pid 1061233 tid 1061233 thread 0 bound to OS proc set {36}
OMP: pid 1061256 tid 1061256 thread 0 bound to OS proc set {147}
OMP: pid 1061247 tid 1061247 thread 0 bound to OS proc set {84}
OMP: pid 1061238 tid 1061238 thread 0 bound to OS proc set {39}
OMP: pid 1061267 tid 1061267 thread 0 bound to OS proc set {45}
OMP: pid 1061282 tid 1061282 thread 0 bound to OS proc set {87}
OMP: pid 1061257 tid 1061257 thread 0 bound to OS proc set {12}
OMP: pid 1061295 tid 1061295 thread 0 bound to OS proc set {144}
OMP: pid 1061268 tid 1061268 thread 0 bound to OS proc set {168}
OMP: pid 1061243 tid 1061243 thread 0 bound to OS proc set {153}
OMP: pid 1061259 tid 1061259 thread 0 bound to OS proc set {162}
OMP: pid 1061288 tid 1061288 thread 0 bound to OS proc set {81}
OMP: pid 1061239 tid 1061239 thread 0 bound to OS proc set {54}
OMP: pid 1061249 tid 1061249 thread 0 bound to OS proc set {156}
OMP: pid 1061254 tid 1061254 thread 0 bound to OS proc set {33}
OMP: pid 1061270 tid 1061270 thread 0 bound to OS proc set {126}
OMP: pid 1061263 tid 1061263 thread 0 bound to OS proc set {9}
OMP: pid 1061269 tid 1061269 thread 0 bound to OS proc set {117}
OMP: pid 1061289 tid 1061289 thread 0 bound to OS proc set {120}
OMP: pid 1061284 tid 1061284 thread 0 bound to OS proc set {57}
OMP: pid 1061280 tid 1061280 thread 0 bound to OS proc set {186}
OMP: pid 1061252 tid 1061252 thread 0 bound to OS proc set {123}
OMP: pid 1061286 tid 1061286 thread 0 bound to OS proc set {135}
OMP: pid 1061275 tid 1061275 thread 0 bound to OS proc set {141}
OMP: pid 1061232 tid 1061232 thread 0 bound to OS proc set {21}
OMP: pid 1061240 tid 1061240 thread 0 bound to OS proc set {63}
OMP: pid 1061283 tid 1061283 thread 0 bound to OS proc set {60}
OMP: pid 1061271 tid 1061271 thread 0 bound to OS proc set {99}
OMP: pid 1061235 tid 1061235 thread 0 bound to OS proc set {75}
OMP: pid 1061241 tid 1061241 thread 0 bound to OS proc set {96}
OMP: pid 1061273 tid 1061273 thread 0 bound to OS proc set {93}
OMP: pid 1061248 tid 1061248 thread 0 bound to OS proc set {174}
OMP: pid 1061276 tid 1061276 thread 0 bound to OS proc set {102}
OMP: pid 1061293 tid 1061293 thread 0 bound to OS proc set {108}
OMP: pid 1061246 tid 1061246 thread 0 bound to OS proc set {3}
OMP: pid 1061258 tid 1061258 thread 0 bound to OS proc set {42}
OMP: pid 1061253 tid 1061253 thread 0 bound to OS proc set {132}
OMP: pid 1061266 tid 1061266 thread 0 bound to OS proc set {18}
OMP: pid 1061262 tid 1061262 thread 0 bound to OS proc set {51}
OMP: pid 1061278 tid 1061278 thread 0 bound to OS proc set {66}
OMP: pid 1061281 tid 1061281 thread 0 bound to OS proc set {129}
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)
4 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 = 0.020 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) = 195.5 | 198.5 | 201.5 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 3.05647 on 64 procs for 10 steps with 32768000 atoms
Performance: 1.413 ns/day, 16.980 hours/ns, 3.272 timesteps/s, 107.209 Matom-step/s
99.2% CPU use with 64 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.431 | 2.4691 | 2.5031 | 1.0 | 80.78
Neigh | 0.40579 | 0.40965 | 0.41332 | 0.3 | 13.40
Comm | 0.0457 | 0.08299 | 0.134 | 6.8 | 2.72
Output | 0.0015239 | 0.0019404 | 0.0027243 | 0.9 | 0.06
Modify | 0.044237 | 0.06243 | 0.074704 | 3.4 | 2.04
Other | | 0.03037 | | | 0.99
Nlocal: 512000 ave 512183 max 511838 min
Histogram: 3 6 5 12 10 6 10 7 3 2
Nghost: 120011 ave 120173 max 119828 min
Histogram: 2 3 7 10 6 9 13 5 6 3
Neighs: 1.92726e+07 ave 1.92962e+07 max 1.92481e+07 min
Histogram: 5 10 9 7 1 1 6 8 11 6
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) = 195.5 | 198.5 | 201.5 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 214.673 on 64 procs for 500 steps with 32768000 atoms
Performance: 1.006 ns/day, 23.853 hours/ns, 2.329 timesteps/s, 76.321 Matom-step/s
99.3% CPU use with 64 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 168.31 | 169.05 | 170.3 | 2.8 | 78.75
Neigh | 36.303 | 36.809 | 37.34 | 3.7 | 17.15
Comm | 3.2401 | 4.4168 | 5.665 | 28.9 | 2.06
Output | 0.01726 | 0.021278 | 0.028637 | 2.6 | 0.01
Modify | 2.1617 | 3.0388 | 3.4548 | 21.4 | 1.42
Other | | 1.337 | | | 0.62
Nlocal: 512000 ave 512619 max 511463 min
Histogram: 4 5 8 6 9 18 8 2 1 3
Nghost: 120003 ave 120539 max 119385 min
Histogram: 3 1 2 9 18 8 6 9 4 4
Neighs: 1.93265e+07 ave 1.93693e+07 max 1.9293e+07 min
Histogram: 7 6 8 7 9 3 14 7 2 1
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:03:39
[MAQAO] Info: 63/64 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1
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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_1 #
######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 96 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 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1062735 gmz12.benchmarkcenter.megware.com {0,1,192,193}
[0] MPI startup(): 1 1062713 gmz12.benchmarkcenter.megware.com {2,3,194,195}
[0] MPI startup(): 2 1062710 gmz12.benchmarkcenter.megware.com {4,5,196,197}
[0] MPI startup(): 3 1062764 gmz12.benchmarkcenter.megware.com {6,7,198,199}
[0] MPI startup(): 4 1062771 gmz12.benchmarkcenter.megware.com {8,9,200,201}
[0] MPI startup(): 5 1062711 gmz12.benchmarkcenter.megware.com {10,11,202,203}
[0] MPI startup(): 6 1062780 gmz12.benchmarkcenter.megware.com {12,13,204,205}
[0] MPI startup(): 7 1062777 gmz12.benchmarkcenter.megware.com {14,15,206,207}
[0] MPI startup(): 8 1062696 gmz12.benchmarkcenter.megware.com {16,17,208,209}
[0] MPI startup(): 9 1062699 gmz12.benchmarkcenter.megware.com {18,19,210,211}
[0] MPI startup(): 10 1062736 gmz12.benchmarkcenter.megware.com {20,21,212,213}
[0] MPI startup(): 11 1062772 gmz12.benchmarkcenter.megware.com {22,23,214,215}
[0] MPI startup(): 12 1062695 gmz12.benchmarkcenter.megware.com {24,25,216,217}
[0] MPI startup(): 13 1062783 gmz12.benchmarkcenter.megware.com {26,27,218,219}
[0] MPI startup(): 14 1062790 gmz12.benchmarkcenter.megware.com {28,29,220,221}
[0] MPI startup(): 15 1062703 gmz12.benchmarkcenter.megware.com {30,31,222,223}
[0] MPI startup(): 16 1062726 gmz12.benchmarkcenter.megware.com {32,33,224,225}
[0] MPI startup(): 17 1062734 gmz12.benchmarkcenter.megware.com {34,35,226,227}
[0] MPI startup(): 18 1062769 gmz12.benchmarkcenter.megware.com {36,37,228,229}
[0] MPI startup(): 19 1062779 gmz12.benchmarkcenter.megware.com {38,39,230,231}
[0] MPI startup(): 20 1062773 gmz12.benchmarkcenter.megware.com {40,41,232,233}
[0] MPI startup(): 21 1062775 gmz12.benchmarkcenter.megware.com {42,43,234,235}
[0] MPI startup(): 22 1062714 gmz12.benchmarkcenter.megware.com {44,45,236,237}
[0] MPI startup(): 23 1062733 gmz12.benchmarkcenter.megware.com {46,47,238,239}
[0] MPI startup(): 24 1062701 gmz12.benchmarkcenter.megware.com {48,49,240,241}
[0] MPI startup(): 25 1062707 gmz12.benchmarkcenter.megware.com {50,51,242,243}
[0] MPI startup(): 26 1062754 gmz12.benchmarkcenter.megware.com {52,53,244,245}
[0] MPI startup(): 27 1062742 gmz12.benchmarkcenter.megware.com {54,55,246,247}
[0] MPI startup(): 28 1062697 gmz12.benchmarkcenter.megware.com {56,57,248,249}
[0] MPI startup(): 29 1062731 gmz12.benchmarkcenter.megware.com {58,59,250,251}
[0] MPI startup(): 30 1062700 gmz12.benchmarkcenter.megware.com {60,61,252,253}
[0] MPI startup(): 31 1062721 gmz12.benchmarkcenter.megware.com {62,63,254,255}
[0] MPI startup(): 32 1062756 gmz12.benchmarkcenter.megware.com {64,65,256,257}
[0] MPI startup(): 33 1062692 gmz12.benchmarkcenter.megware.com {66,67,258,259}
[0] MPI startup(): 34 1062718 gmz12.benchmarkcenter.megware.com {68,69,260,261}
[0] MPI startup(): 35 1062698 gmz12.benchmarkcenter.megware.com {70,71,262,263}
[0] MPI startup(): 36 1062719 gmz12.benchmarkcenter.megware.com {72,73,264,265}
[0] MPI startup(): 37 1062746 gmz12.benchmarkcenter.megware.com {74,75,266,267}
[0] MPI startup(): 38 1062785 gmz12.benchmarkcenter.megware.com {76,77,268,269}
[0] MPI startup(): 39 1062706 gmz12.benchmarkcenter.megware.com {78,79,270,271}
[0] MPI startup(): 40 1062694 gmz12.benchmarkcenter.megware.com {80,81,272,273}
[0] MPI startup(): 41 1062722 gmz12.benchmarkcenter.megware.com {82,83,274,275}
[0] MPI startup(): 42 1062755 gmz12.benchmarkcenter.megware.com {84,85,276,277}
[0] MPI startup(): 43 1062787 gmz12.benchmarkcenter.megware.com {86,87,278,279}
[0] MPI startup(): 44 1062730 gmz12.benchmarkcenter.megware.com {88,89,280,281}
[0] MPI startup(): 45 1062748 gmz12.benchmarkcenter.megware.com {90,91,282,283}
[0] MPI startup(): 46 1062766 gmz12.benchmarkcenter.megware.com {92,93,284,285}
[0] MPI startup(): 47 1062770 gmz12.benchmarkcenter.megware.com {94,95,286,287}
[0] MPI startup(): 48 1062758 gmz12.benchmarkcenter.megware.com {96,97,288,289}
[0] MPI startup(): 49 1062745 gmz12.benchmarkcenter.megware.com {98,99,290,291}
[0] MPI startup(): 50 1062732 gmz12.benchmarkcenter.megware.com {100,101,292,293}
[0] MPI startup(): 51 1062740 gmz12.benchmarkcenter.megware.com {102,103,294,295}
[0] MPI startup(): 52 1062768 gmz12.benchmarkcenter.megware.com {104,105,296,297}
[0] MPI startup(): 53 1062715 gmz12.benchmarkcenter.megware.com {106,107,298,299}
[0] MPI startup(): 54 1062757 gmz12.benchmarkcenter.megware.com {108,109,300,301}
[0] MPI startup(): 55 1062729 gmz12.benchmarkcenter.megware.com {110,111,302,303}
[0] MPI startup(): 56 1062705 gmz12.benchmarkcenter.megware.com {112,113,304,305}
[0] MPI startup(): 57 1062720 gmz12.benchmarkcenter.megware.com {114,115,306,307}
[0] MPI startup(): 58 1062752 gmz12.benchmarkcenter.megware.com {116,117,308,309}
[0] MPI startup(): 59 1062784 gmz12.benchmarkcenter.megware.com {118,119,310,311}
[0] MPI startup(): 60 1062782 gmz12.benchmarkcenter.megware.com {120,121,312,313}
[0] MPI startup(): 61 1062781 gmz12.benchmarkcenter.megware.com {122,123,314,315}
[0] MPI startup(): 62 1062712 gmz12.benchmarkcenter.megware.com {124,125,316,317}
[0] MPI startup(): 63 1062774 gmz12.benchmarkcenter.megware.com {126,127,318,319}
[0] MPI startup(): 64 1062786 gmz12.benchmarkcenter.megware.com {128,129,320,321}
[0] MPI startup(): 65 1062708 gmz12.benchmarkcenter.megware.com {130,131,322,323}
[0] MPI startup(): 66 1062761 gmz12.benchmarkcenter.megware.com {132,133,324,325}
[0] MPI startup(): 67 1062738 gmz12.benchmarkcenter.megware.com {134,135,326,327}
[0] MPI startup(): 68 1062728 gmz12.benchmarkcenter.megware.com {136,137,328,329}
[0] MPI startup(): 69 1062747 gmz12.benchmarkcenter.megware.com {138,139,330,331}
[0] MPI startup(): 70 1062767 gmz12.benchmarkcenter.megware.com {140,141,332,333}
[0] MPI startup(): 71 1062704 gmz12.benchmarkcenter.megware.com {142,143,334,335}
[0] MPI startup(): 72 1062717 gmz12.benchmarkcenter.megware.com {144,145,336,337}
[0] MPI startup(): 73 1062743 gmz12.benchmarkcenter.megware.com {146,147,338,339}
[0] MPI startup(): 74 1062753 gmz12.benchmarkcenter.megware.com {148,149,340,341}
[0] MPI startup(): 75 1062749 gmz12.benchmarkcenter.megware.com {150,151,342,343}
[0] MPI startup(): 76 1062716 gmz12.benchmarkcenter.megware.com {152,153,344,345}
[0] MPI startup(): 77 1062760 gmz12.benchmarkcenter.megware.com {154,155,346,347}
[0] MPI startup(): 78 1062751 gmz12.benchmarkcenter.megware.com {156,157,348,349}
[0] MPI startup(): 79 1062763 gmz12.benchmarkcenter.megware.com {158,159,350,351}
[0] MPI startup(): 80 1062778 gmz12.benchmarkcenter.megware.com {160,161,352,353}
[0] MPI startup(): 81 1062788 gmz12.benchmarkcenter.megware.com {162,163,354,355}
[0] MPI startup(): 82 1062741 gmz12.benchmarkcenter.megware.com {164,165,356,357}
[0] MPI startup(): 83 1062739 gmz12.benchmarkcenter.megware.com {166,167,358,359}
[0] MPI startup(): 84 1062702 gmz12.benchmarkcenter.megware.com {168,169,360,361}
[0] MPI startup(): 85 1062693 gmz12.benchmarkcenter.megware.com {170,171,362,363}
[0] MPI startup(): 86 1062725 gmz12.benchmarkcenter.megware.com {172,173,364,365}
[0] MPI startup(): 87 1062750 gmz12.benchmarkcenter.megware.com {174,175,366,367}
[0] MPI startup(): 88 1062744 gmz12.benchmarkcenter.megware.com {176,177,368,369}
[0] MPI startup(): 89 1062737 gmz12.benchmarkcenter.megware.com {178,179,370,371}
[0] MPI startup(): 90 1062727 gmz12.benchmarkcenter.megware.com {180,181,372,373}
[0] MPI startup(): 91 1062709 gmz12.benchmarkcenter.megware.com {182,183,374,375}
[0] MPI startup(): 92 1062723 gmz12.benchmarkcenter.megware.com {184,185,376,377}
[0] MPI startup(): 93 1062765 gmz12.benchmarkcenter.megware.com {186,187,378,379}
[0] MPI startup(): 94 1062724 gmz12.benchmarkcenter.megware.com {188,189,380,381}
[0] MPI startup(): 95 1062789 gmz12.benchmarkcenter.megware.com {190,191,382,383}
OMP: pid 1062727 tid 1062727 thread 0 bound to OS proc set {180}
OMP: pid 1062784 tid 1062784 thread 0 bound to OS proc set {118}
OMP: pid 1062743 tid 1062743 thread 0 bound to OS proc set {146}
OMP: pid 1062707 tid 1062707 thread 0 bound to OS proc set {50}
OMP: pid 1062709 tid 1062709 thread 0 bound to OS proc set {182}
OMP: pid 1062738 tid 1062738 thread 0 bound to OS proc set {134}
OMP: pid 1062790 tid 1062790 thread 0 bound to OS proc set {28}
OMP: pid 1062741 tid 1062741 thread 0 bound to OS proc set {164}
OMP: pid 1062758 tid 1062758 thread 0 bound to OS proc set {96}
OMP: pid 1062716 tid 1062716 thread 0 bound to OS proc set {152}
OMP: pid 1062772 tid 1062772 thread 0 bound to OS proc set {22}
OMP: pid 1062714 tid 1062714 thread 0 bound to OS proc set {44}
OMP: pid 1062737 tid 1062737 thread 0 bound to OS proc set {178}
OMP: pid 1062773 tid 1062773 thread 0 bound to OS proc set {40}
OMP: pid 1062766 tid 1062766 thread 0 bound to OS proc set {92}
OMP: pid 1062777 tid 1062777 thread 0 bound to OS proc set {14}
OMP: pid 1062746 tid 1062746 thread 0 bound to OS proc set {74}
OMP: pid 1062788 tid 1062788 thread 0 bound to OS proc set {162}
OMP: pid 1062765 tid 1062765 thread 0 bound to OS proc set {186}
OMP: pid 1062775 tid 1062775 thread 0 bound to OS proc set {42}
OMP: pid 1062755 tid 1062755 thread 0 bound to OS proc set {84}
OMP: pid 1062726 tid 1062726 thread 0 bound to OS proc set {32}
OMP: pid 1062705 tid 1062705 thread 0 bound to OS proc set {112}
OMP: pid 1062748 tid 1062748 thread 0 bound to OS proc set {90}
OMP: pid 1062763 tid 1062763 thread 0 bound to OS proc set {158}
OMP: pid 1062734 tid 1062734 thread 0 bound to OS proc set {34}
OMP: pid 1062703 tid 1062703 thread 0 bound to OS proc set {30}
OMP: pid 1062725 tid 1062725 thread 0 bound to OS proc set {172}
OMP: pid 1062767 tid 1062767 thread 0 bound to OS proc set {140}
OMP: pid 1062706 tid 1062706 thread 0 bound to OS proc set {78}
OMP: pid 1062789 tid 1062789 thread 0 bound to OS proc set {190}
OMP: pid 1062697 tid 1062697 thread 0 bound to OS proc set {56}
OMP: pid 1062786 tid 1062786 thread 0 bound to OS proc set {128}
OMP: pid 1062698 tid 1062698 thread 0 bound to OS proc set {70}
OMP: pid 1062736 tid 1062736 thread 0 bound to OS proc set {20}
OMP: pid 1062693 tid 1062693 thread 0 bound to OS proc set {170}
OMP: pid 1062752 tid 1062752 thread 0 bound to OS proc set {116}
OMP: pid 1062715 tid 1062715 thread 0 bound to OS proc set {106}
OMP: pid 1062754 tid 1062754 thread 0 bound to OS proc set {52}
OMP: pid 1062702 tid 1062702 thread 0 bound to OS proc set {168}
OMP: pid 1062712 tid 1062712 thread 0 bound to OS proc set {124}
OMP: pid 1062724 tid 1062724 thread 0 bound to OS proc set {188}
OMP: pid 1062695 tid 1062695 thread 0 bound to OS proc set {24}
OMP: pid 1062713 tid 1062713 thread 0 bound to OS proc set {2}
OMP: pid 1062783 tid 1062783 thread 0 bound to OS proc set {26}
OMP: pid 1062722 tid 1062722 thread 0 bound to OS proc set {82}
OMP: pid 1062701 tid 1062701 thread 0 bound to OS proc set {48}
OMP: pid 1062751 tid 1062751 thread 0 bound to OS proc set {156}
OMP: pid 1062700 tid 1062700 thread 0 bound to OS proc set {60}
OMP: pid 1062732 tid 1062732 thread 0 bound to OS proc set {100}
OMP: pid 1062728 tid 1062728 thread 0 bound to OS proc set {136}
OMP: pid 1062744 tid 1062744 thread 0 bound to OS proc set {176}
OMP: pid 1062739 tid 1062739 thread 0 bound to OS proc set {166}
OMP: pid 1062774 tid 1062774 thread 0 bound to OS proc set {126}
OMP: pid 1062768 tid 1062768 thread 0 bound to OS proc set {104}
OMP: pid 1062756 tid 1062756 thread 0 bound to OS proc set {64}
OMP: pid 1062692 tid 1062692 thread 0 bound to OS proc set {66}
OMP: pid 1062742 tid 1062742 thread 0 bound to OS proc set {54}
OMP: pid 1062761 tid 1062761 thread 0 bound to OS proc set {132}
OMP: pid 1062757 tid 1062757 thread 0 bound to OS proc set {108}
OMP: pid 1062781 tid 1062781 thread 0 bound to OS proc set {122}
OMP: pid 1062696 tid 1062696 thread 0 bound to OS proc set {16}
OMP: pid 1062740 tid 1062740 thread 0 bound to OS proc set {102}
OMP: pid 1062729 tid 1062729 thread 0 bound to OS proc set {110}
OMP: pid 1062717 tid 1062717 thread 0 bound to OS proc set {144}
OMP: pid 1062787 tid 1062787 thread 0 bound to OS proc set {86}
OMP: pid 1062735 tid 1062735 thread 0 bound to OS proc set {0}
OMP: pid 1062750 tid 1062750 thread 0 bound to OS proc set {174}
OMP: pid 1062708 tid 1062708 thread 0 bound to OS proc set {130}
LAMMPS (22 Jul 2025)
OMP: pid 1062733 tid 1062733 thread 0 bound to OS proc set {46}
OMP: pid 1062770 tid 1062770 thread 0 bound to OS proc set {94}
OMP: pid 1062719 tid 1062719 thread 0 bound to OS proc set {72}
OMP: pid 1062749 tid 1062749 thread 0 bound to OS proc set {150}
OMP: pid 1062760 tid 1062760 thread 0 bound to OS proc set {154}
OMP: pid 1062723 tid 1062723 thread 0 bound to OS proc set {184}
OMP: pid 1062721 tid 1062721 thread 0 bound to OS proc set {62}
OMP: pid 1062753 tid 1062753 thread 0 bound to OS proc set {148}
OMP: pid 1062699 tid 1062699 thread 0 bound to OS proc set {18}
OMP: pid 1062731 tid 1062731 thread 0 bound to OS proc set {58}
OMP: pid 1062778 tid 1062778 thread 0 bound to OS proc set {160}
OMP: pid 1062704 tid 1062704 thread 0 bound to OS proc set {142}
OMP: pid 1062730 tid 1062730 thread 0 bound to OS proc set {88}
OMP: pid 1062745 tid 1062745 thread 0 bound to OS proc set {98}
OMP: pid 1062782 tid 1062782 thread 0 bound to OS proc set {120}
OMP: pid 1062718 tid 1062718 thread 0 bound to OS proc set {68}
OMP: pid 1062720 tid 1062720 thread 0 bound to OS proc set {114}
OMP: pid 1062764 tid 1062764 thread 0 bound to OS proc set {6}
OMP: pid 1062771 tid 1062771 thread 0 bound to OS proc set {8}
OMP: pid 1062769 tid 1062769 thread 0 bound to OS proc set {36}
OMP: pid 1062780 tid 1062780 thread 0 bound to OS proc set {12}
OMP: pid 1062747 tid 1062747 thread 0 bound to OS proc set {138}
OMP: pid 1062785 tid 1062785 thread 0 bound to OS proc set {76}
OMP: pid 1062710 tid 1062710 thread 0 bound to OS proc set {4}
OMP: pid 1062779 tid 1062779 thread 0 bound to OS proc set {38}
OMP: pid 1062694 tid 1062694 thread 0 bound to OS proc set {80}
OMP: pid 1062711 tid 1062711 thread 0 bound to OS proc set {10}
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)
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 = 0.016 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
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 2.27173 on 96 procs for 10 steps with 32768000 atoms
Performance: 1.902 ns/day, 12.621 hours/ns, 4.402 timesteps/s, 144.243 Matom-step/s
99.1% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.7583 | 1.7915 | 1.8507 | 1.2 | 78.86
Neigh | 0.29211 | 0.2958 | 0.30092 | 0.3 | 13.02
Comm | 0.036717 | 0.087735 | 0.13427 | 6.2 | 3.86
Output | 0.0013886 | 0.0015464 | 0.0018724 | 0.3 | 0.07
Modify | 0.025009 | 0.05913 | 0.075531 | 5.0 | 2.60
Other | | 0.03601 | | | 1.58
Nlocal: 341333 ave 342574 max 340648 min
Histogram: 45 19 0 0 0 0 0 0 13 19
Nghost: 87167.4 ave 88307 max 85075 min
Histogram: 32 0 0 0 0 0 0 0 1 63
Neighs: 1.28484e+07 ave 1.29035e+07 max 1.28089e+07 min
Histogram: 16 16 18 12 2 0 4 11 2 15
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) = 133.3 | 135.3 | 137.2 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 152.68 on 96 procs for 500 steps with 32768000 atoms
Performance: 1.415 ns/day, 16.964 hours/ns, 3.275 timesteps/s, 107.309 Matom-step/s
99.1% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 116.88 | 117.8 | 118.67 | 3.8 | 77.15
Neigh | 26.016 | 26.336 | 26.77 | 3.3 | 17.25
Comm | 2.968 | 4.0991 | 5.2679 | 26.4 | 2.68
Output | 0.01518 | 0.017058 | 0.019754 | 0.8 | 0.01
Modify | 2.4733 | 3.197 | 3.482 | 11.3 | 2.09
Other | | 1.231 | | | 0.81
Nlocal: 341333 ave 342795 max 340345 min
Histogram: 13 20 22 9 0 0 3 6 15 8
Nghost: 87081.2 ave 88641 max 84849 min
Histogram: 16 14 2 0 0 0 4 19 28 13
Neighs: 1.28843e+07 ave 1.29514e+07 max 1.28329e+07 min
Histogram: 8 11 18 18 9 2 7 11 6 6
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:35
[MAQAO] Info: 40/96 lprof instances finished
[MAQAO] Info: 95/96 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2
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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_2 #
######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 128 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 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1064640 gmz12.benchmarkcenter.megware.com {0,1,192}
[0] MPI startup(): 1 1064642 gmz12.benchmarkcenter.megware.com {2,193,194}
[0] MPI startup(): 2 1064648 gmz12.benchmarkcenter.megware.com {3,4,195}
[0] MPI startup(): 3 1064672 gmz12.benchmarkcenter.megware.com {5,196,197}
[0] MPI startup(): 4 1064666 gmz12.benchmarkcenter.megware.com {6,7,198}
[0] MPI startup(): 5 1064609 gmz12.benchmarkcenter.megware.com {8,199,200}
[0] MPI startup(): 6 1064693 gmz12.benchmarkcenter.megware.com {9,10,201}
[0] MPI startup(): 7 1064633 gmz12.benchmarkcenter.megware.com {11,202,203}
[0] MPI startup(): 8 1064650 gmz12.benchmarkcenter.megware.com {12,13,204}
[0] MPI startup(): 9 1064595 gmz12.benchmarkcenter.megware.com {14,205,206}
[0] MPI startup(): 10 1064618 gmz12.benchmarkcenter.megware.com {15,16,207}
[0] MPI startup(): 11 1064659 gmz12.benchmarkcenter.megware.com {17,208,209}
[0] MPI startup(): 12 1064645 gmz12.benchmarkcenter.megware.com {18,19,210}
[0] MPI startup(): 13 1064654 gmz12.benchmarkcenter.megware.com {20,211,212}
[0] MPI startup(): 14 1064599 gmz12.benchmarkcenter.megware.com {21,22,213}
[0] MPI startup(): 15 1064687 gmz12.benchmarkcenter.megware.com {23,214,215}
[0] MPI startup(): 16 1064631 gmz12.benchmarkcenter.megware.com {24,25,216}
[0] MPI startup(): 17 1064682 gmz12.benchmarkcenter.megware.com {26,217,218}
[0] MPI startup(): 18 1064596 gmz12.benchmarkcenter.megware.com {27,28,219}
[0] MPI startup(): 19 1064615 gmz12.benchmarkcenter.megware.com {29,220,221}
[0] MPI startup(): 20 1064628 gmz12.benchmarkcenter.megware.com {30,31,222}
[0] MPI startup(): 21 1064661 gmz12.benchmarkcenter.megware.com {32,223,224}
[0] MPI startup(): 22 1064656 gmz12.benchmarkcenter.megware.com {33,34,225}
[0] MPI startup(): 23 1064657 gmz12.benchmarkcenter.megware.com {35,226,227}
[0] MPI startup(): 24 1064707 gmz12.benchmarkcenter.megware.com {36,37,228}
[0] MPI startup(): 25 1064620 gmz12.benchmarkcenter.megware.com {38,229,230}
[0] MPI startup(): 26 1064590 gmz12.benchmarkcenter.megware.com {39,40,231}
[0] MPI startup(): 27 1064585 gmz12.benchmarkcenter.megware.com {41,232,233}
[0] MPI startup(): 28 1064616 gmz12.benchmarkcenter.megware.com {42,43,234}
[0] MPI startup(): 29 1064673 gmz12.benchmarkcenter.megware.com {44,235,236}
[0] MPI startup(): 30 1064702 gmz12.benchmarkcenter.megware.com {45,46,237}
[0] MPI startup(): 31 1064584 gmz12.benchmarkcenter.megware.com {47,238,239}
[0] MPI startup(): 32 1064647 gmz12.benchmarkcenter.megware.com {48,49,240}
[0] MPI startup(): 33 1064676 gmz12.benchmarkcenter.megware.com {50,241,242}
[0] MPI startup(): 34 1064587 gmz12.benchmarkcenter.megware.com {51,52,243}
[0] MPI startup(): 35 1064611 gmz12.benchmarkcenter.megware.com {53,244,245}
[0] MPI startup(): 36 1064624 gmz12.benchmarkcenter.megware.com {54,55,246}
[0] MPI startup(): 37 1064688 gmz12.benchmarkcenter.megware.com {56,247,248}
[0] MPI startup(): 38 1064617 gmz12.benchmarkcenter.megware.com {57,58,249}
[0] MPI startup(): 39 1064634 gmz12.benchmarkcenter.megware.com {59,250,251}
[0] MPI startup(): 40 1064581 gmz12.benchmarkcenter.megware.com {60,61,252}
[0] MPI startup(): 41 1064675 gmz12.benchmarkcenter.megware.com {62,253,254}
[0] MPI startup(): 42 1064671 gmz12.benchmarkcenter.megware.com {63,64,255}
[0] MPI startup(): 43 1064681 gmz12.benchmarkcenter.megware.com {65,256,257}
[0] MPI startup(): 44 1064665 gmz12.benchmarkcenter.megware.com {66,67,258}
[0] MPI startup(): 45 1064653 gmz12.benchmarkcenter.megware.com {68,259,260}
[0] MPI startup(): 46 1064706 gmz12.benchmarkcenter.megware.com {69,70,261}
[0] MPI startup(): 47 1064699 gmz12.benchmarkcenter.megware.com {71,262,263}
[0] MPI startup(): 48 1064708 gmz12.benchmarkcenter.megware.com {72,73,264}
[0] MPI startup(): 49 1064641 gmz12.benchmarkcenter.megware.com {74,265,266}
[0] MPI startup(): 50 1064669 gmz12.benchmarkcenter.megware.com {75,76,267}
[0] MPI startup(): 51 1064606 gmz12.benchmarkcenter.megware.com {77,268,269}
[0] MPI startup(): 52 1064586 gmz12.benchmarkcenter.megware.com {78,79,270}
[0] MPI startup(): 53 1064664 gmz12.benchmarkcenter.megware.com {80,271,272}
[0] MPI startup(): 54 1064583 gmz12.benchmarkcenter.megware.com {81,82,273}
[0] MPI startup(): 55 1064705 gmz12.benchmarkcenter.megware.com {83,274,275}
[0] MPI startup(): 56 1064589 gmz12.benchmarkcenter.megware.com {84,85,276}
[0] MPI startup(): 57 1064602 gmz12.benchmarkcenter.megware.com {86,277,278}
[0] MPI startup(): 58 1064668 gmz12.benchmarkcenter.megware.com {87,88,279}
[0] MPI startup(): 59 1064649 gmz12.benchmarkcenter.megware.com {89,280,281}
[0] MPI startup(): 60 1064605 gmz12.benchmarkcenter.megware.com {90,91,282}
[0] MPI startup(): 61 1064690 gmz12.benchmarkcenter.megware.com {92,283,284}
[0] MPI startup(): 62 1064704 gmz12.benchmarkcenter.megware.com {93,94,285}
[0] MPI startup(): 63 1064632 gmz12.benchmarkcenter.megware.com {95,286,287}
[0] MPI startup(): 64 1064612 gmz12.benchmarkcenter.megware.com {96,97,288}
[0] MPI startup(): 65 1064651 gmz12.benchmarkcenter.megware.com {98,289,290}
[0] MPI startup(): 66 1064592 gmz12.benchmarkcenter.megware.com {99,100,291}
[0] MPI startup(): 67 1064679 gmz12.benchmarkcenter.megware.com {101,292,293}
[0] MPI startup(): 68 1064621 gmz12.benchmarkcenter.megware.com {102,103,294}
[0] MPI startup(): 69 1064703 gmz12.benchmarkcenter.megware.com {104,295,296}
[0] MPI startup(): 70 1064701 gmz12.benchmarkcenter.megware.com {105,106,297}
[0] MPI startup(): 71 1064698 gmz12.benchmarkcenter.megware.com {107,298,299}
[0] MPI startup(): 72 1064610 gmz12.benchmarkcenter.megware.com {108,109,300}
[0] MPI startup(): 73 1064604 gmz12.benchmarkcenter.megware.com {110,301,302}
[0] MPI startup(): 74 1064582 gmz12.benchmarkcenter.megware.com {111,112,303}
[0] MPI startup(): 75 1064638 gmz12.benchmarkcenter.megware.com {113,304,305}
[0] MPI startup(): 76 1064588 gmz12.benchmarkcenter.megware.com {114,115,306}
[0] MPI startup(): 77 1064591 gmz12.benchmarkcenter.megware.com {116,307,308}
[0] MPI startup(): 78 1064652 gmz12.benchmarkcenter.megware.com {117,118,309}
[0] MPI startup(): 79 1064603 gmz12.benchmarkcenter.megware.com {119,310,311}
[0] MPI startup(): 80 1064619 gmz12.benchmarkcenter.megware.com {120,121,312}
[0] MPI startup(): 81 1064608 gmz12.benchmarkcenter.megware.com {122,313,314}
[0] MPI startup(): 82 1064691 gmz12.benchmarkcenter.megware.com {123,124,315}
[0] MPI startup(): 83 1064695 gmz12.benchmarkcenter.megware.com {125,316,317}
[0] MPI startup(): 84 1064689 gmz12.benchmarkcenter.megware.com {126,127,318}
[0] MPI startup(): 85 1064629 gmz12.benchmarkcenter.megware.com {128,319,320}
[0] MPI startup(): 86 1064635 gmz12.benchmarkcenter.megware.com {129,130,321}
[0] MPI startup(): 87 1064600 gmz12.benchmarkcenter.megware.com {131,322,323}
[0] MPI startup(): 88 1064700 gmz12.benchmarkcenter.megware.com {132,133,324}
[0] MPI startup(): 89 1064630 gmz12.benchmarkcenter.megware.com {134,325,326}
[0] MPI startup(): 90 1064607 gmz12.benchmarkcenter.megware.com {135,136,327}
[0] MPI startup(): 91 1064598 gmz12.benchmarkcenter.megware.com {137,328,329}
[0] MPI startup(): 92 1064625 gmz12.benchmarkcenter.megware.com {138,139,330}
[0] MPI startup(): 93 1064626 gmz12.benchmarkcenter.megware.com {140,331,332}
[0] MPI startup(): 94 1064678 gmz12.benchmarkcenter.megware.com {141,142,333}
[0] MPI startup(): 95 1064658 gmz12.benchmarkcenter.megware.com {143,334,335}
[0] MPI startup(): 96 1064694 gmz12.benchmarkcenter.megware.com {144,145,336}
[0] MPI startup(): 97 1064644 gmz12.benchmarkcenter.megware.com {146,337,338}
[0] MPI startup(): 98 1064655 gmz12.benchmarkcenter.megware.com {147,148,339}
[0] MPI startup(): 99 1064613 gmz12.benchmarkcenter.megware.com {149,340,341}
[0] MPI startup(): 100 1064594 gmz12.benchmarkcenter.megware.com {150,151,342}
[0] MPI startup(): 101 1064579 gmz12.benchmarkcenter.megware.com {152,343,344}
[0] MPI startup(): 102 1064696 gmz12.benchmarkcenter.megware.com {153,154,345}
[0] MPI startup(): 103 1064580 gmz12.benchmarkcenter.megware.com {155,346,347}
[0] MPI startup(): 104 1064636 gmz12.benchmarkcenter.megware.com {156,157,348}
[0] MPI startup(): 105 1064660 gmz12.benchmarkcenter.megware.com {158,349,350}
[0] MPI startup(): 106 1064637 gmz12.benchmarkcenter.megware.com {159,160,351}
[0] MPI startup(): 107 1064680 gmz12.benchmarkcenter.megware.com {161,352,353}
[0] MPI startup(): 108 1064686 gmz12.benchmarkcenter.megware.com {162,163,354}
[0] MPI startup(): 109 1064622 gmz12.benchmarkcenter.megware.com {164,355,356}
[0] MPI startup(): 110 1064601 gmz12.benchmarkcenter.megware.com {165,166,357}
[0] MPI startup(): 111 1064670 gmz12.benchmarkcenter.megware.com {167,358,359}
[0] MPI startup(): 112 1064627 gmz12.benchmarkcenter.megware.com {168,169,360}
[0] MPI startup(): 113 1064662 gmz12.benchmarkcenter.megware.com {170,361,362}
[0] MPI startup(): 114 1064674 gmz12.benchmarkcenter.megware.com {171,172,363}
[0] MPI startup(): 115 1064646 gmz12.benchmarkcenter.megware.com {173,364,365}
[0] MPI startup(): 116 1064639 gmz12.benchmarkcenter.megware.com {174,175,366}
[0] MPI startup(): 117 1064683 gmz12.benchmarkcenter.megware.com {176,367,368}
[0] MPI startup(): 118 1064667 gmz12.benchmarkcenter.megware.com {177,178,369}
[0] MPI startup(): 119 1064593 gmz12.benchmarkcenter.megware.com {179,370,371}
[0] MPI startup(): 120 1064697 gmz12.benchmarkcenter.megware.com {180,181,372}
[0] MPI startup(): 121 1064663 gmz12.benchmarkcenter.megware.com {182,373,374}
[0] MPI startup(): 122 1064614 gmz12.benchmarkcenter.megware.com {183,184,375}
[0] MPI startup(): 123 1064597 gmz12.benchmarkcenter.megware.com {185,376,377}
[0] MPI startup(): 124 1064643 gmz12.benchmarkcenter.megware.com {186,187,378}
[0] MPI startup(): 125 1064623 gmz12.benchmarkcenter.megware.com {188,379,380}
[0] MPI startup(): 126 1064692 gmz12.benchmarkcenter.megware.com {189,190,381}
[0] MPI startup(): 127 1064677 gmz12.benchmarkcenter.megware.com {191,382,383}
OMP: pid 1064664 tid 1064664 thread 0 bound to OS proc set {271}
OMP: pid 1064694 tid 1064694 thread 0 bound to OS proc set {144}
OMP: pid 1064699 tid 1064699 thread 0 bound to OS proc set {262}
OMP: pid 1064668 tid 1064668 thread 0 bound to OS proc set {87}
OMP: pid 1064606 tid 1064606 thread 0 bound to OS proc set {268}
OMP: pid 1064676 tid 1064676 thread 0 bound to OS proc set {241}
OMP: pid 1064589 tid 1064589 thread 0 bound to OS proc set {84}
OMP: pid 1064683 tid 1064683 thread 0 bound to OS proc set {367}
OMP: pid 1064692 tid 1064692 thread 0 bound to OS proc set {189}
OMP: pid 1064586 tid 1064586 thread 0 bound to OS proc set {78}
OMP: pid 1064595 tid 1064595 thread 0 bound to OS proc set {205}
OMP: pid 1064611 tid 1064611 thread 0 bound to OS proc set {244}
OMP: pid 1064616 tid 1064616 thread 0 bound to OS proc set {42}
OMP: pid 1064690 tid 1064690 thread 0 bound to OS proc set {283}
OMP: pid 1064658 tid 1064658 thread 0 bound to OS proc set {334}
OMP: pid 1064601 tid 1064601 thread 0 bound to OS proc set {165}
OMP: pid 1064695 tid 1064695 thread 0 bound to OS proc set {316}
OMP: pid 1064615 tid 1064615 thread 0 bound to OS proc set {220}
OMP: pid 1064634 tid 1064634 thread 0 bound to OS proc set {250}
OMP: pid 1064646 tid 1064646 thread 0 bound to OS proc set {364}
OMP: pid 1064594 tid 1064594 thread 0 bound to OS proc set {150}
OMP: pid 1064591 tid 1064591 thread 0 bound to OS proc set {307}
OMP: pid 1064612 tid 1064612 thread 0 bound to OS proc set {96}
OMP: pid 1064663 tid 1064663 thread 0 bound to OS proc set {373}
OMP: pid 1064637 tid 1064637 thread 0 bound to OS proc set {159}
OMP: pid 1064623 tid 1064623 thread 0 bound to OS proc set {379}
OMP: pid 1064700 tid 1064700 thread 0 bound to OS proc set {132}
OMP: pid 1064583 tid 1064583 thread 0 bound to OS proc set {81}
OMP: pid 1064644 tid 1064644 thread 0 bound to OS proc set {337}
OMP: pid 1064625 tid 1064625 thread 0 bound to OS proc set {138}
OMP: pid 1064703 tid 1064703 thread 0 bound to OS proc set {295}
OMP: pid 1064626 tid 1064626 thread 0 bound to OS proc set {331}
OMP: pid 1064600 tid 1064600 thread 0 bound to OS proc set {322}
OMP: pid 1064654 tid 1064654 thread 0 bound to OS proc set {211}
OMP: pid 1064702 tid 1064702 thread 0 bound to OS proc set {45}
OMP: pid 1064669 tid 1064669 thread 0 bound to OS proc set {75}
OMP: pid 1064598 tid 1064598 thread 0 bound to OS proc set {328}
OMP: pid 1064639 tid 1064639 thread 0 bound to OS proc set {174}
OMP: pid 1064636 tid 1064636 thread 0 bound to OS proc set {156}
OMP: pid 1064691 tid 1064691 thread 0 bound to OS proc set {123}
OMP: pid 1064708 tid 1064708 thread 0 bound to OS proc set {72}
OMP: pid 1064701 tid 1064701 thread 0 bound to OS proc set {105}
OMP: pid 1064648 tid 1064648 thread 0 bound to OS proc set {3}
OMP: pid 1064659 tid 1064659 thread 0 bound to OS proc set {208}
OMP: pid 1064629 tid 1064629 thread 0 bound to OS proc set {319}
OMP: pid 1064605 tid 1064605 thread 0 bound to OS proc set {90}
OMP: pid 1064643 tid 1064643 thread 0 bound to OS proc set {186}
OMP: pid 1064588 tid 1064588 thread 0 bound to OS proc set {114}
OMP: pid 1064698 tid 1064698 thread 0 bound to OS proc set {298}
OMP: pid 1064650 tid 1064650 thread 0 bound to OS proc set {12}
OMP: pid 1064592 tid 1064592 thread 0 bound to OS proc set {99}
OMP: pid 1064686 tid 1064686 thread 0 bound to OS proc set {162}
OMP: pid 1064640 tid 1064640 thread 0 bound to OS proc set {0}
OMP: pid 1064614 tid 1064614 thread 0 bound to OS proc set {183}
OMP: pid 1064587 tid 1064587 thread 0 bound to OS proc set {51}
OMP: pid 1064706 tid 1064706 thread 0 bound to OS proc set {69}
OMP: pid 1064707 tid 1064707 thread 0 bound to OS proc set {36}
OMP: pid 1064655 tid 1064655 thread 0 bound to OS proc set {147}
OMP: pid 1064657 tid 1064657 thread 0 bound to OS proc set {226}
OMP: pid 1064624 tid 1064624 thread 0 bound to OS proc set {54}
OMP: pid 1064671 tid 1064671 thread 0 bound to OS proc set {63}
LAMMPS (22 Jul 2025)
OMP: pid 1064608 tid 1064608 thread 0 bound to OS proc set {313}
OMP: pid 1064672 tid 1064672 thread 0 bound to OS proc set {196}
OMP: pid 1064632 tid 1064632 thread 0 bound to OS proc set {286}
OMP: pid 1064609 tid 1064609 thread 0 bound to OS proc set {199}
OMP: pid 1064602 tid 1064602 thread 0 bound to OS proc set {277}
OMP: pid 1064689 tid 1064689 thread 0 bound to OS proc set {126}
OMP: pid 1064696 tid 1064696 thread 0 bound to OS proc set {153}
OMP: pid 1064670 tid 1064670 thread 0 bound to OS proc set {358}
OMP: pid 1064619 tid 1064619 thread 0 bound to OS proc set {120}
OMP: pid 1064618 tid 1064618 thread 0 bound to OS proc set {15}
OMP: pid 1064635 tid 1064635 thread 0 bound to OS proc set {129}
OMP: pid 1064593 tid 1064593 thread 0 bound to OS proc set {370}
OMP: pid 1064667 tid 1064667 thread 0 bound to OS proc set {177}
OMP: pid 1064645 tid 1064645 thread 0 bound to OS proc set {18}
OMP: pid 1064603 tid 1064603 thread 0 bound to OS proc set {310}
OMP: pid 1064661 tid 1064661 thread 0 bound to OS proc set {223}
OMP: pid 1064697 tid 1064697 thread 0 bound to OS proc set {180}
OMP: pid 1064678 tid 1064678 thread 0 bound to OS proc set {141}
OMP: pid 1064673 tid 1064673 thread 0 bound to OS proc set {235}
OMP: pid 1064622 tid 1064622 thread 0 bound to OS proc set {355}
OMP: pid 1064627 tid 1064627 thread 0 bound to OS proc set {168}
OMP: pid 1064579 tid 1064579 thread 0 bound to OS proc set {343}
OMP: pid 1064610 tid 1064610 thread 0 bound to OS proc set {108}
OMP: pid 1064638 tid 1064638 thread 0 bound to OS proc set {304}
OMP: pid 1064613 tid 1064613 thread 0 bound to OS proc set {340}
OMP: pid 1064681 tid 1064681 thread 0 bound to OS proc set {256}
OMP: pid 1064647 tid 1064647 thread 0 bound to OS proc set {48}
OMP: pid 1064675 tid 1064675 thread 0 bound to OS proc set {253}
OMP: pid 1064617 tid 1064617 thread 0 bound to OS proc set {57}
OMP: pid 1064597 tid 1064597 thread 0 bound to OS proc set {376}
OMP: pid 1064652 tid 1064652 thread 0 bound to OS proc set {117}
OMP: pid 1064590 tid 1064590 thread 0 bound to OS proc set {39}
OMP: pid 1064633 tid 1064633 thread 0 bound to OS proc set {202}
OMP: pid 1064682 tid 1064682 thread 0 bound to OS proc set {217}
OMP: pid 1064674 tid 1064674 thread 0 bound to OS proc set {171}
OMP: pid 1064604 tid 1064604 thread 0 bound to OS proc set {301}
OMP: pid 1064660 tid 1064660 thread 0 bound to OS proc set {349}
OMP: pid 1064607 tid 1064607 thread 0 bound to OS proc set {135}
OMP: pid 1064662 tid 1064662 thread 0 bound to OS proc set {361}
OMP: pid 1064628 tid 1064628 thread 0 bound to OS proc set {30}
OMP: pid 1064642 tid 1064642 thread 0 bound to OS proc set {193}
OMP: pid 1064680 tid 1064680 thread 0 bound to OS proc set {352}
OMP: pid 1064630 tid 1064630 thread 0 bound to OS proc set {325}
OMP: pid 1064581 tid 1064581 thread 0 bound to OS proc set {60}
OMP: pid 1064641 tid 1064641 thread 0 bound to OS proc set {265}
OMP: pid 1064580 tid 1064580 thread 0 bound to OS proc set {346}
OMP: pid 1064651 tid 1064651 thread 0 bound to OS proc set {289}
OMP: pid 1064677 tid 1064677 thread 0 bound to OS proc set {382}
OMP: pid 1064621 tid 1064621 thread 0 bound to OS proc set {102}
OMP: pid 1064679 tid 1064679 thread 0 bound to OS proc set {292}
OMP: pid 1064666 tid 1064666 thread 0 bound to OS proc set {6}
OMP: pid 1064705 tid 1064705 thread 0 bound to OS proc set {274}
OMP: pid 1064620 tid 1064620 thread 0 bound to OS proc set {229}
OMP: pid 1064582 tid 1064582 thread 0 bound to OS proc set {111}
OMP: pid 1064665 tid 1064665 thread 0 bound to OS proc set {66}
OMP: pid 1064687 tid 1064687 thread 0 bound to OS proc set {214}
OMP: pid 1064688 tid 1064688 thread 0 bound to OS proc set {247}
OMP: pid 1064693 tid 1064693 thread 0 bound to OS proc set {9}
OMP: pid 1064631 tid 1064631 thread 0 bound to OS proc set {24}
OMP: pid 1064653 tid 1064653 thread 0 bound to OS proc set {259}
OMP: pid 1064585 tid 1064585 thread 0 bound to OS proc set {232}
OMP: pid 1064649 tid 1064649 thread 0 bound to OS proc set {280}
OMP: pid 1064704 tid 1064704 thread 0 bound to OS proc set {93}
OMP: pid 1064596 tid 1064596 thread 0 bound to OS proc set {27}
OMP: pid 1064656 tid 1064656 thread 0 bound to OS proc set {33}
OMP: pid 1064584 tid 1064584 thread 0 bound to OS proc set {238}
OMP: pid 1064599 tid 1064599 thread 0 bound to OS proc set {21}
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 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 = 0.014 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) = 101.6 | 103.5 | 105.2 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 1.86914 on 128 procs for 10 steps with 32768000 atoms
Performance: 2.311 ns/day, 10.384 hours/ns, 5.350 timesteps/s, 175.311 Matom-step/s
99.0% CPU use with 128 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.4225 | 1.4466 | 1.4813 | 1.0 | 77.39
Neigh | 0.23529 | 0.23971 | 0.24483 | 0.5 | 12.82
Comm | 0.037615 | 0.075747 | 0.11382 | 5.4 | 4.05
Output | 0.0015005 | 0.0020067 | 0.00284 | 0.8 | 0.11
Modify | 0.025933 | 0.070872 | 0.091749 | 4.9 | 3.79
Other | | 0.0342 | | | 1.83
Nlocal: 256000 ave 256158 max 255841 min
Histogram: 2 9 8 22 19 30 17 12 5 4
Nghost: 73251 ave 73410 max 73093 min
Histogram: 4 5 12 17 30 19 22 8 9 2
Neighs: 9.63629e+06 ave 9.65078e+06 max 9.62236e+06 min
Histogram: 8 15 15 24 4 6 17 19 15 5
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) = 101.7 | 103.5 | 105.2 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 129.329 on 128 procs for 500 steps with 32768000 atoms
Performance: 1.670 ns/day, 14.370 hours/ns, 3.866 timesteps/s, 126.685 Matom-step/s
99.1% CPU use with 128 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 97.738 | 98.672 | 99.759 | 4.7 | 76.30
Neigh | 21.079 | 21.549 | 22.068 | 4.7 | 16.66
Comm | 2.826 | 4.4503 | 5.9493 | 33.6 | 3.44
Output | 0.016532 | 0.02196 | 0.033785 | 3.0 | 0.02
Modify | 2.0427 | 3.1628 | 3.9868 | 24.0 | 2.45
Other | | 1.472 | | | 1.14
Nlocal: 256000 ave 256401 max 255566 min
Histogram: 6 4 13 17 19 22 19 13 11 4
Nghost: 73246.2 ave 73680 max 72845 min
Histogram: 4 10 14 18 25 17 18 12 4 6
Neighs: 9.66325e+06 ave 9.688e+06 max 9.63778e+06 min
Histogram: 6 6 10 14 29 19 14 17 11 2
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:12
[MAQAO] Info: 127/128 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3
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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_3 #
######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 160 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 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1066966 gmz12.benchmarkcenter.megware.com {0,192}
[0] MPI startup(): 1 1067019 gmz12.benchmarkcenter.megware.com {1,193}
[0] MPI startup(): 2 1067091 gmz12.benchmarkcenter.megware.com {2,194}
[0] MPI startup(): 3 1067095 gmz12.benchmarkcenter.megware.com {3,195}
[0] MPI startup(): 4 1067089 gmz12.benchmarkcenter.megware.com {4,196}
[0] MPI startup(): 5 1067001 gmz12.benchmarkcenter.megware.com {5,197}
[0] MPI startup(): 6 1066974 gmz12.benchmarkcenter.megware.com {6,198}
[0] MPI startup(): 7 1067028 gmz12.benchmarkcenter.megware.com {7,199}
[0] MPI startup(): 8 1067072 gmz12.benchmarkcenter.megware.com {8,200}
[0] MPI startup(): 9 1067004 gmz12.benchmarkcenter.megware.com {9,201}
[0] MPI startup(): 10 1067055 gmz12.benchmarkcenter.megware.com {10,202}
[0] MPI startup(): 11 1067073 gmz12.benchmarkcenter.megware.com {11,203}
[0] MPI startup(): 12 1066975 gmz12.benchmarkcenter.megware.com {12,204}
[0] MPI startup(): 13 1067054 gmz12.benchmarkcenter.megware.com {13,205}
[0] MPI startup(): 14 1066976 gmz12.benchmarkcenter.megware.com {14,206}
[0] MPI startup(): 15 1067056 gmz12.benchmarkcenter.megware.com {15,207}
[0] MPI startup(): 16 1067068 gmz12.benchmarkcenter.megware.com {16,208}
[0] MPI startup(): 17 1067098 gmz12.benchmarkcenter.megware.com {17,209}
[0] MPI startup(): 18 1067083 gmz12.benchmarkcenter.megware.com {18,210}
[0] MPI startup(): 19 1067102 gmz12.benchmarkcenter.megware.com {19,211}
[0] MPI startup(): 20 1066971 gmz12.benchmarkcenter.megware.com {24,216}
[0] MPI startup(): 21 1066972 gmz12.benchmarkcenter.megware.com {25,217}
[0] MPI startup(): 22 1066946 gmz12.benchmarkcenter.megware.com {26,218}
[0] MPI startup(): 23 1066969 gmz12.benchmarkcenter.megware.com {27,219}
[0] MPI startup(): 24 1067026 gmz12.benchmarkcenter.megware.com {28,220}
[0] MPI startup(): 25 1067005 gmz12.benchmarkcenter.megware.com {29,221}
[0] MPI startup(): 26 1067086 gmz12.benchmarkcenter.megware.com {30,222}
[0] MPI startup(): 27 1066961 gmz12.benchmarkcenter.megware.com {31,223}
[0] MPI startup(): 28 1066968 gmz12.benchmarkcenter.megware.com {32,224}
[0] MPI startup(): 29 1067023 gmz12.benchmarkcenter.megware.com {33,225}
[0] MPI startup(): 30 1067003 gmz12.benchmarkcenter.megware.com {34,226}
[0] MPI startup(): 31 1066979 gmz12.benchmarkcenter.megware.com {35,227}
[0] MPI startup(): 32 1067052 gmz12.benchmarkcenter.megware.com {36,228}
[0] MPI startup(): 33 1067074 gmz12.benchmarkcenter.megware.com {37,229}
[0] MPI startup(): 34 1067045 gmz12.benchmarkcenter.megware.com {38,230}
[0] MPI startup(): 35 1066967 gmz12.benchmarkcenter.megware.com {39,231}
[0] MPI startup(): 36 1066970 gmz12.benchmarkcenter.megware.com {40,232}
[0] MPI startup(): 37 1067099 gmz12.benchmarkcenter.megware.com {41,233}
[0] MPI startup(): 38 1067067 gmz12.benchmarkcenter.megware.com {42,234}
[0] MPI startup(): 39 1067008 gmz12.benchmarkcenter.megware.com {43,235}
[0] MPI startup(): 40 1067082 gmz12.benchmarkcenter.megware.com {48,240}
[0] MPI startup(): 41 1067100 gmz12.benchmarkcenter.megware.com {49,241}
[0] MPI startup(): 42 1067101 gmz12.benchmarkcenter.megware.com {50,242}
[0] MPI startup(): 43 1066996 gmz12.benchmarkcenter.megware.com {51,243}
[0] MPI startup(): 44 1067065 gmz12.benchmarkcenter.megware.com {52,244}
[0] MPI startup(): 45 1067027 gmz12.benchmarkcenter.megware.com {53,245}
[0] MPI startup(): 46 1066997 gmz12.benchmarkcenter.megware.com {54,246}
[0] MPI startup(): 47 1067084 gmz12.benchmarkcenter.megware.com {55,247}
[0] MPI startup(): 48 1066949 gmz12.benchmarkcenter.megware.com {56,248}
[0] MPI startup(): 49 1067058 gmz12.benchmarkcenter.megware.com {57,249}
[0] MPI startup(): 50 1067002 gmz12.benchmarkcenter.megware.com {58,250}
[0] MPI startup(): 51 1066987 gmz12.benchmarkcenter.megware.com {59,251}
[0] MPI startup(): 52 1066999 gmz12.benchmarkcenter.megware.com {60,252}
[0] MPI startup(): 53 1067064 gmz12.benchmarkcenter.megware.com {61,253}
[0] MPI startup(): 54 1067060 gmz12.benchmarkcenter.megware.com {62,254}
[0] MPI startup(): 55 1067069 gmz12.benchmarkcenter.megware.com {63,255}
[0] MPI startup(): 56 1067105 gmz12.benchmarkcenter.megware.com {64,256}
[0] MPI startup(): 57 1067022 gmz12.benchmarkcenter.megware.com {65,257}
[0] MPI startup(): 58 1067076 gmz12.benchmarkcenter.megware.com {66,258}
[0] MPI startup(): 59 1066998 gmz12.benchmarkcenter.megware.com {67,259}
[0] MPI startup(): 60 1067049 gmz12.benchmarkcenter.megware.com {72,264}
[0] MPI startup(): 61 1067000 gmz12.benchmarkcenter.megware.com {73,265}
[0] MPI startup(): 62 1067070 gmz12.benchmarkcenter.megware.com {74,266}
[0] MPI startup(): 63 1067063 gmz12.benchmarkcenter.megware.com {75,267}
[0] MPI startup(): 64 1067092 gmz12.benchmarkcenter.megware.com {76,268}
[0] MPI startup(): 65 1066945 gmz12.benchmarkcenter.megware.com {77,269}
[0] MPI startup(): 66 1066948 gmz12.benchmarkcenter.megware.com {78,270}
[0] MPI startup(): 67 1067059 gmz12.benchmarkcenter.megware.com {79,271}
[0] MPI startup(): 68 1067097 gmz12.benchmarkcenter.megware.com {80,272}
[0] MPI startup(): 69 1066960 gmz12.benchmarkcenter.megware.com {81,273}
[0] MPI startup(): 70 1067066 gmz12.benchmarkcenter.megware.com {82,274}
[0] MPI startup(): 71 1067103 gmz12.benchmarkcenter.megware.com {83,275}
[0] MPI startup(): 72 1067057 gmz12.benchmarkcenter.megware.com {84,276}
[0] MPI startup(): 73 1067062 gmz12.benchmarkcenter.megware.com {85,277}
[0] MPI startup(): 74 1067006 gmz12.benchmarkcenter.megware.com {86,278}
[0] MPI startup(): 75 1067061 gmz12.benchmarkcenter.megware.com {87,279}
[0] MPI startup(): 76 1066995 gmz12.benchmarkcenter.megware.com {88,280}
[0] MPI startup(): 77 1066947 gmz12.benchmarkcenter.megware.com {89,281}
[0] MPI startup(): 78 1066973 gmz12.benchmarkcenter.megware.com {90,282}
[0] MPI startup(): 79 1067077 gmz12.benchmarkcenter.megware.com {91,283}
[0] MPI startup(): 80 1067029 gmz12.benchmarkcenter.megware.com {96,288}
[0] MPI startup(): 81 1067048 gmz12.benchmarkcenter.megware.com {97,289}
[0] MPI startup(): 82 1066977 gmz12.benchmarkcenter.megware.com {98,290}
[0] MPI startup(): 83 1067053 gmz12.benchmarkcenter.megware.com {99,291}
[0] MPI startup(): 84 1066978 gmz12.benchmarkcenter.megware.com {100,292}
[0] MPI startup(): 85 1067071 gmz12.benchmarkcenter.megware.com {101,293}
[0] MPI startup(): 86 1067051 gmz12.benchmarkcenter.megware.com {102,294}
[0] MPI startup(): 87 1066954 gmz12.benchmarkcenter.megware.com {103,295}
[0] MPI startup(): 88 1067024 gmz12.benchmarkcenter.megware.com {104,296}
[0] MPI startup(): 89 1067079 gmz12.benchmarkcenter.megware.com {105,297}
[0] MPI startup(): 90 1067088 gmz12.benchmarkcenter.megware.com {106,298}
[0] MPI startup(): 91 1067090 gmz12.benchmarkcenter.megware.com {107,299}
[0] MPI startup(): 92 1067007 gmz12.benchmarkcenter.megware.com {108,300}
[0] MPI startup(): 93 1067012 gmz12.benchmarkcenter.megware.com {109,301}
[0] MPI startup(): 94 1066950 gmz12.benchmarkcenter.megware.com {110,302}
[0] MPI startup(): 95 1066956 gmz12.benchmarkcenter.megware.com {111,303}
[0] MPI startup(): 96 1067078 gmz12.benchmarkcenter.megware.com {112,304}
[0] MPI startup(): 97 1066951 gmz12.benchmarkcenter.megware.com {113,305}
[0] MPI startup(): 98 1067014 gmz12.benchmarkcenter.megware.com {114,306}
[0] MPI startup(): 99 1067011 gmz12.benchmarkcenter.megware.com {115,307}
[0] MPI startup(): 100 1066964 gmz12.benchmarkcenter.megware.com {120,312}
[0] MPI startup(): 101 1067093 gmz12.benchmarkcenter.megware.com {121,313}
[0] MPI startup(): 102 1067094 gmz12.benchmarkcenter.megware.com {122,314}
[0] MPI startup(): 103 1067040 gmz12.benchmarkcenter.megware.com {123,315}
[0] MPI startup(): 104 1067025 gmz12.benchmarkcenter.megware.com {124,316}
[0] MPI startup(): 105 1067080 gmz12.benchmarkcenter.megware.com {125,317}
[0] MPI startup(): 106 1067041 gmz12.benchmarkcenter.megware.com {126,318}
[0] MPI startup(): 107 1067087 gmz12.benchmarkcenter.megware.com {127,319}
[0] MPI startup(): 108 1067018 gmz12.benchmarkcenter.megware.com {128,320}
[0] MPI startup(): 109 1067081 gmz12.benchmarkcenter.megware.com {129,321}
[0] MPI startup(): 110 1066965 gmz12.benchmarkcenter.megware.com {130,322}
[0] MPI startup(): 111 1067031 gmz12.benchmarkcenter.megware.com {131,323}
[0] MPI startup(): 112 1067046 gmz12.benchmarkcenter.megware.com {132,324}
[0] MPI startup(): 113 1067096 gmz12.benchmarkcenter.megware.com {133,325}
[0] MPI startup(): 114 1067043 gmz12.benchmarkcenter.megware.com {134,326}
[0] MPI startup(): 115 1067075 gmz12.benchmarkcenter.megware.com {135,327}
[0] MPI startup(): 116 1067032 gmz12.benchmarkcenter.megware.com {136,328}
[0] MPI startup(): 117 1067030 gmz12.benchmarkcenter.megware.com {137,329}
[0] MPI startup(): 118 1066962 gmz12.benchmarkcenter.megware.com {138,330}
[0] MPI startup(): 119 1066953 gmz12.benchmarkcenter.megware.com {139,331}
[0] MPI startup(): 120 1066982 gmz12.benchmarkcenter.megware.com {144,336}
[0] MPI startup(): 121 1067033 gmz12.benchmarkcenter.megware.com {145,337}
[0] MPI startup(): 122 1067039 gmz12.benchmarkcenter.megware.com {146,338}
[0] MPI startup(): 123 1066980 gmz12.benchmarkcenter.megware.com {147,339}
[0] MPI startup(): 124 1067085 gmz12.benchmarkcenter.megware.com {148,340}
[0] MPI startup(): 125 1067035 gmz12.benchmarkcenter.megware.com {149,341}
[0] MPI startup(): 126 1066986 gmz12.benchmarkcenter.megware.com {150,342}
[0] MPI startup(): 127 1067044 gmz12.benchmarkcenter.megware.com {151,343}
[0] MPI startup(): 128 1067017 gmz12.benchmarkcenter.megware.com {152,344}
[0] MPI startup(): 129 1066963 gmz12.benchmarkcenter.megware.com {153,345}
[0] MPI startup(): 130 1067016 gmz12.benchmarkcenter.megware.com {154,346}
[0] MPI startup(): 131 1066952 gmz12.benchmarkcenter.megware.com {155,347}
[0] MPI startup(): 132 1066983 gmz12.benchmarkcenter.megware.com {156,348}
[0] MPI startup(): 133 1066988 gmz12.benchmarkcenter.megware.com {157,349}
[0] MPI startup(): 134 1066959 gmz12.benchmarkcenter.megware.com {158,350}
[0] MPI startup(): 135 1067038 gmz12.benchmarkcenter.megware.com {159,351}
[0] MPI startup(): 136 1067037 gmz12.benchmarkcenter.megware.com {160,352}
[0] MPI startup(): 137 1067013 gmz12.benchmarkcenter.megware.com {161,353}
[0] MPI startup(): 138 1067106 gmz12.benchmarkcenter.megware.com {162,354}
[0] MPI startup(): 139 1067020 gmz12.benchmarkcenter.megware.com {163,355}
[0] MPI startup(): 140 1067034 gmz12.benchmarkcenter.megware.com {168,360}
[0] MPI startup(): 141 1066992 gmz12.benchmarkcenter.megware.com {169,361}
[0] MPI startup(): 142 1067021 gmz12.benchmarkcenter.megware.com {170,362}
[0] MPI startup(): 143 1066990 gmz12.benchmarkcenter.megware.com {171,363}
[0] MPI startup(): 144 1067010 gmz12.benchmarkcenter.megware.com {172,364}
[0] MPI startup(): 145 1066989 gmz12.benchmarkcenter.megware.com {173,365}
[0] MPI startup(): 146 1067009 gmz12.benchmarkcenter.megware.com {174,366}
[0] MPI startup(): 147 1066985 gmz12.benchmarkcenter.megware.com {175,367}
[0] MPI startup(): 148 1066981 gmz12.benchmarkcenter.megware.com {176,368}
[0] MPI startup(): 149 1066958 gmz12.benchmarkcenter.megware.com {177,369}
[0] MPI startup(): 150 1067036 gmz12.benchmarkcenter.megware.com {178,370}
[0] MPI startup(): 151 1066993 gmz12.benchmarkcenter.megware.com {179,371}
[0] MPI startup(): 152 1066957 gmz12.benchmarkcenter.megware.com {180,372}
[0] MPI startup(): 153 1067104 gmz12.benchmarkcenter.megware.com {181,373}
[0] MPI startup(): 154 1066991 gmz12.benchmarkcenter.megware.com {182,374}
[0] MPI startup(): 155 1067015 gmz12.benchmarkcenter.megware.com {183,375}
[0] MPI startup(): 156 1066984 gmz12.benchmarkcenter.megware.com {184,376}
[0] MPI startup(): 157 1067042 gmz12.benchmarkcenter.megware.com {185,377}
[0] MPI startup(): 158 1066955 gmz12.benchmarkcenter.megware.com {186,378}
[0] MPI startup(): 159 1066994 gmz12.benchmarkcenter.megware.com {187,379}
OMP: pid 1066952 tid 1066952 thread 0 bound to OS proc set {155}
OMP: pid 1066998 tid 1066998 thread 0 bound to OS proc set {67}
OMP: pid 1067039 tid 1067039 thread 0 bound to OS proc set {146}
OMP: pid 1067030 tid 1067030 thread 0 bound to OS proc set {137}
OMP: pid 1067034 tid 1067034 thread 0 bound to OS proc set {168}
OMP: pid 1067037 tid 1067037 thread 0 bound to OS proc set {160}
OMP: pid 1067062 tid 1067062 thread 0 bound to OS proc set {85}
OMP: pid 1067057 tid 1067057 thread 0 bound to OS proc set {84}
OMP: pid 1067093 tid 1067093 thread 0 bound to OS proc set {121}
OMP: pid 1067091 tid 1067091 thread 0 bound to OS proc set {2}
OMP: pid 1067038 tid 1067038 thread 0 bound to OS proc set {159}
OMP: pid 1067051 tid 1067051 thread 0 bound to OS proc set {102}
OMP: pid 1066956 tid 1066956 thread 0 bound to OS proc set {111}
OMP: pid 1067023 tid 1067023 thread 0 bound to OS proc set {33}
OMP: pid 1067072 tid 1067072 thread 0 bound to OS proc set {8}
OMP: pid 1067090 tid 1067090 thread 0 bound to OS proc set {107}
OMP: pid 1066947 tid 1066947 thread 0 bound to OS proc set {89}
OMP: pid 1067054 tid 1067054 thread 0 bound to OS proc set {13}
OMP: pid 1066949 tid 1066949 thread 0 bound to OS proc set {56}
OMP: pid 1066978 tid 1066978 thread 0 bound to OS proc set {100}
OMP: pid 1067033 tid 1067033 thread 0 bound to OS proc set {145}
OMP: pid 1066982 tid 1066982 thread 0 bound to OS proc set {144}
OMP: pid 1067045 tid 1067045 thread 0 bound to OS proc set {38}
OMP: pid 1066973 tid 1066973 thread 0 bound to OS proc set {90}
OMP: pid 1067073 tid 1067073 thread 0 bound to OS proc set {11}
OMP: pid 1067059 tid 1067059 thread 0 bound to OS proc set {79}
OMP: pid 1067061 tid 1067061 thread 0 bound to OS proc set {87}
OMP: pid 1067014 tid 1067014 thread 0 bound to OS proc set {114}
OMP: pid 1067005 tid 1067005 thread 0 bound to OS proc set {29}
OMP: pid 1066997 tid 1066997 thread 0 bound to OS proc set {54}
OMP: pid 1067017 tid 1067017 thread 0 bound to OS proc set {152}
OMP: pid 1067001 tid 1067001 thread 0 bound to OS proc set {5}
OMP: pid 1067024 tid 1067024 thread 0 bound to OS proc set {104}
OMP: pid 1067053 tid 1067053 thread 0 bound to OS proc set {99}
OMP: pid 1067065 tid 1067065 thread 0 bound to OS proc set {52}
OMP: pid 1067028 tid 1067028 thread 0 bound to OS proc set {7}
OMP: pid 1067085 tid 1067085 thread 0 bound to OS proc set {148}
OMP: pid 1067078 tid 1067078 thread 0 bound to OS proc set {112}
OMP: pid 1067080 tid 1067080 thread 0 bound to OS proc set {125}
OMP: pid 1067019 tid 1067019 thread 0 bound to OS proc set {1}
OMP: pid 1067104 tid 1067104 thread 0 bound to OS proc set {181}
OMP: pid 1066951 tid 1066951 thread 0 bound to OS proc set {113}
OMP: pid 1066957 tid 1066957 thread 0 bound to OS proc set {180}
OMP: pid 1067084 tid 1067084 thread 0 bound to OS proc set {55}
OMP: pid 1067021 tid 1067021 thread 0 bound to OS proc set {170}
OMP: pid 1067063 tid 1067063 thread 0 bound to OS proc set {75}
OMP: pid 1067035 tid 1067035 thread 0 bound to OS proc set {149}
OMP: pid 1066965 tid 1066965 thread 0 bound to OS proc set {130}
OMP: pid 1066950 tid 1066950 thread 0 bound to OS proc set {110}
OMP: pid 1067002 tid 1067002 thread 0 bound to OS proc set {58}
OMP: pid 1067071 tid 1067071 thread 0 bound to OS proc set {101}
OMP: pid 1067049 tid 1067049 thread 0 bound to OS proc set {72}
OMP: pid 1067100 tid 1067100 thread 0 bound to OS proc set {49}
OMP: pid 1067103 tid 1067103 thread 0 bound to OS proc set {83}
OMP: pid 1067043 tid 1067043 thread 0 bound to OS proc set {134}
OMP: pid 1066992 tid 1066992 thread 0 bound to OS proc set {169}
OMP: pid 1067029 tid 1067029 thread 0 bound to OS proc set {96}
OMP: pid 1067048 tid 1067048 thread 0 bound to OS proc set {97}
OMP: pid 1066995 tid 1066995 thread 0 bound to OS proc set {88}
OMP: pid 1067096 tid 1067096 thread 0 bound to OS proc set {133}
OMP: pid 1067022 tid 1067022 thread 0 bound to OS proc set {65}
OMP: pid 1067069 tid 1067069 thread 0 bound to OS proc set {63}
OMP: pid 1067068 tid 1067068 thread 0 bound to OS proc set {16}
OMP: pid 1066948 tid 1066948 thread 0 bound to OS proc set {78}
OMP: pid 1067067 tid 1067067 thread 0 bound to OS proc set {42}
OMP: pid 1067083 tid 1067083 thread 0 bound to OS proc set {18}
OMP: pid 1066985 tid 1066985 thread 0 bound to OS proc set {175}
OMP: pid 1066955 tid 1066955 thread 0 bound to OS proc set {186}
OMP: pid 1066953 tid 1066953 thread 0 bound to OS proc set {139}
OMP: pid 1067032 tid 1067032 thread 0 bound to OS proc set {136}
OMP: pid 1067095 tid 1067095 thread 0 bound to OS proc set {3}
OMP: pid 1066999 tid 1066999 thread 0 bound to OS proc set {60}
OMP: pid 1066987 tid 1066987 thread 0 bound to OS proc set {59}
OMP: pid 1067079 tid 1067079 thread 0 bound to OS proc set {105}
OMP: pid 1066988 tid 1066988 thread 0 bound to OS proc set {157}
OMP: pid 1067060 tid 1067060 thread 0 bound to OS proc set {62}
OMP: pid 1067098 tid 1067098 thread 0 bound to OS proc set {17}
OMP: pid 1067003 tid 1067003 thread 0 bound to OS proc set {34}
OMP: pid 1066961 tid 1066961 thread 0 bound to OS proc set {31}
OMP: pid 1067026 tid 1067026 thread 0 bound to OS proc set {28}
OMP: pid 1067010 tid 1067010 thread 0 bound to OS proc set {172}
OMP: pid 1066969 tid 1066969 thread 0 bound to OS proc set {27}
OMP: pid 1066986 tid 1066986 thread 0 bound to OS proc set {150}
OMP: pid 1066954 tid 1066954 thread 0 bound to OS proc set {103}
OMP: pid 1067052 tid 1067052 thread 0 bound to OS proc set {36}
OMP: pid 1067036 tid 1067036 thread 0 bound to OS proc set {178}
OMP: pid 1067097 tid 1067097 thread 0 bound to OS proc set {80}
OMP: pid 1066963 tid 1066963 thread 0 bound to OS proc set {153}
OMP: pid 1067031 tid 1067031 thread 0 bound to OS proc set {131}
OMP: pid 1066975 tid 1066975 thread 0 bound to OS proc set {12}
OMP: pid 1066981 tid 1066981 thread 0 bound to OS proc set {176}
OMP: pid 1067009 tid 1067009 thread 0 bound to OS proc set {174}
OMP: pid 1066970 tid 1066970 thread 0 bound to OS proc set {40}
OMP: pid 1067064 tid 1067064 thread 0 bound to OS proc set {61}
OMP: pid 1067007 tid 1067007 thread 0 bound to OS proc set {108}
OMP: pid 1067041 tid 1067041 thread 0 bound to OS proc set {126}
OMP: pid 1067081 tid 1067081 thread 0 bound to OS proc set {129}
OMP: pid 1067025 tid 1067025 thread 0 bound to OS proc set {124}
OMP: pid 1067027 tid 1067027 thread 0 bound to OS proc set {53}
OMP: pid 1066996 tid 1066996 thread 0 bound to OS proc set {51}
OMP: pid 1067055 tid 1067055 thread 0 bound to OS proc set {10}
OMP: pid 1067105 tid 1067105 thread 0 bound to OS proc set {64}
OMP: pid 1067088 tid 1067088 thread 0 bound to OS proc set {106}
OMP: pid 1067074 tid 1067074 thread 0 bound to OS proc set {37}
OMP: pid 1066984 tid 1066984 thread 0 bound to OS proc set {184}
OMP: pid 1067058 tid 1067058 thread 0 bound to OS proc set {57}
OMP: pid 1066989 tid 1066989 thread 0 bound to OS proc set {173}
OMP: pid 1066979 tid 1066979 thread 0 bound to OS proc set {35}
OMP: pid 1067092 tid 1067092 thread 0 bound to OS proc set {76}
OMP: pid 1067042 tid 1067042 thread 0 bound to OS proc set {185}
OMP: pid 1066976 tid 1066976 thread 0 bound to OS proc set {14}
OMP: pid 1067018 tid 1067018 thread 0 bound to OS proc set {128}
OMP: pid 1067015 tid 1067015 thread 0 bound to OS proc set {183}
OMP: pid 1066990 tid 1066990 thread 0 bound to OS proc set {171}
OMP: pid 1066967 tid 1066967 thread 0 bound to OS proc set {39}
OMP: pid 1066960 tid 1066960 thread 0 bound to OS proc set {81}
OMP: pid 1066959 tid 1066959 thread 0 bound to OS proc set {158}
OMP: pid 1066980 tid 1066980 thread 0 bound to OS proc set {147}
OMP: pid 1067102 tid 1067102 thread 0 bound to OS proc set {19}
OMP: pid 1067011 tid 1067011 thread 0 bound to OS proc set {115}
OMP: pid 1067000 tid 1067000 thread 0 bound to OS proc set {73}
OMP: pid 1067013 tid 1067013 thread 0 bound to OS proc set {161}
OMP: pid 1066971 tid 1066971 thread 0 bound to OS proc set {24}
OMP: pid 1067040 tid 1067040 thread 0 bound to OS proc set {123}
OMP: pid 1067020 tid 1067020 thread 0 bound to OS proc set {163}
OMP: pid 1067044 tid 1067044 thread 0 bound to OS proc set {151}
OMP: pid 1066962 tid 1066962 thread 0 bound to OS proc set {138}
OMP: pid 1066958 tid 1066958 thread 0 bound to OS proc set {177}
OMP: pid 1066966 tid 1066966 thread 0 bound to OS proc set {0}
OMP: pid 1067077 tid 1067077 thread 0 bound to OS proc set {91}
OMP: pid 1066974 tid 1066974 thread 0 bound to OS proc set {6}
OMP: pid 1066983 tid 1066983 thread 0 bound to OS proc set {156}
LAMMPS (22 Jul 2025)
OMP: pid 1067008 tid 1067008 thread 0 bound to OS proc set {43}
OMP: pid 1067016 tid 1067016 thread 0 bound to OS proc set {154}
OMP: pid 1067106 tid 1067106 thread 0 bound to OS proc set {162}
OMP: pid 1067006 tid 1067006 thread 0 bound to OS proc set {86}
OMP: pid 1066994 tid 1066994 thread 0 bound to OS proc set {187}
OMP: pid 1067012 tid 1067012 thread 0 bound to OS proc set {109}
OMP: pid 1066977 tid 1066977 thread 0 bound to OS proc set {98}
OMP: pid 1067070 tid 1067070 thread 0 bound to OS proc set {74}
OMP: pid 1067066 tid 1067066 thread 0 bound to OS proc set {82}
OMP: pid 1066991 tid 1066991 thread 0 bound to OS proc set {182}
OMP: pid 1067046 tid 1067046 thread 0 bound to OS proc set {132}
OMP: pid 1067056 tid 1067056 thread 0 bound to OS proc set {15}
OMP: pid 1067094 tid 1067094 thread 0 bound to OS proc set {122}
OMP: pid 1066964 tid 1066964 thread 0 bound to OS proc set {120}
OMP: pid 1067082 tid 1067082 thread 0 bound to OS proc set {48}
OMP: pid 1066946 tid 1066946 thread 0 bound to OS proc set {26}
OMP: pid 1067087 tid 1067087 thread 0 bound to OS proc set {127}
OMP: pid 1066993 tid 1066993 thread 0 bound to OS proc set {179}
OMP: pid 1066945 tid 1066945 thread 0 bound to OS proc set {77}
OMP: pid 1067004 tid 1067004 thread 0 bound to OS proc set {9}
OMP: pid 1067089 tid 1067089 thread 0 bound to OS proc set {4}
OMP: pid 1066968 tid 1066968 thread 0 bound to OS proc set {32}
OMP: pid 1067101 tid 1067101 thread 0 bound to OS proc set {50}
OMP: pid 1067076 tid 1067076 thread 0 bound to OS proc set {66}
OMP: pid 1066972 tid 1066972 thread 0 bound to OS proc set {25}
OMP: pid 1067086 tid 1067086 thread 0 bound to OS proc set {30}
OMP: pid 1067099 tid 1067099 thread 0 bound to OS proc set {41}
OMP: pid 1067075 tid 1067075 thread 0 bound to OS proc set {135}
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 5 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 = 0.014 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) = 82.52 | 83.62 | 84.8 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 1.62099 on 160 procs for 10 steps with 32768000 atoms
Performance: 2.665 ns/day, 9.005 hours/ns, 6.169 timesteps/s, 202.149 Matom-step/s
98.9% CPU use with 160 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.2223 | 1.241 | 1.2823 | 0.8 | 76.56
Neigh | 0.19811 | 0.20414 | 0.20993 | 0.6 | 12.59
Comm | 0.041242 | 0.077647 | 0.12375 | 6.4 | 4.79
Output | 0.0015471 | 0.0020283 | 0.0034806 | 1.5 | 0.13
Modify | 0.018033 | 0.062585 | 0.087588 | 7.6 | 3.86
Other | | 0.03361 | | | 2.07
Nlocal: 204800 ave 204960 max 204607 min
Histogram: 1 4 8 20 31 28 36 23 6 3
Nghost: 63899 ave 64092 max 63739 min
Histogram: 3 6 23 36 28 31 20 8 4 1
Neighs: 7.70903e+06 ave 7.73346e+06 max 7.6857e+06 min
Histogram: 17 13 8 18 29 26 12 7 22 8
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) = 82.6 | 83.7 | 85.08 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 111.938 on 160 procs for 500 steps with 32768000 atoms
Performance: 1.930 ns/day, 12.438 hours/ns, 4.467 timesteps/s, 146.367 Matom-step/s
99.0% CPU use with 160 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 82.933 | 84.128 | 86.509 | 5.5 | 75.16
Neigh | 17.608 | 18.354 | 18.772 | 6.8 | 16.40
Comm | 2.4703 | 4.9654 | 7.8047 | 53.9 | 4.44
Output | 0.016685 | 0.02187 | 0.037272 | 4.7 | 0.02
Modify | 1.2312 | 3.0349 | 3.9182 | 44.5 | 2.71
Other | | 1.433 | | | 1.28
Nlocal: 204800 ave 205151 max 204386 min
Histogram: 4 6 15 20 21 27 29 19 10 9
Nghost: 63894.8 ave 64309 max 63541 min
Histogram: 9 10 19 29 26 22 20 16 5 4
Neighs: 7.7306e+06 ave 7.7607e+06 max 7.69515e+06 min
Histogram: 4 3 9 26 29 26 26 17 13 7
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:54
[MAQAO] Info: 29/160 lprof instances finished
[MAQAO] Info: 72/160 lprof instances finished
[MAQAO] Info: 159/160 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4
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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_4 #
######################################################################################################################################################################################################################
* [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 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1069720 gmz12.benchmarkcenter.megware.com {0,192}
[0] MPI startup(): 1 1069656 gmz12.benchmarkcenter.megware.com {1,193}
[0] MPI startup(): 2 1069657 gmz12.benchmarkcenter.megware.com {2,194}
[0] MPI startup(): 3 1069730 gmz12.benchmarkcenter.megware.com {3,195}
[0] MPI startup(): 4 1069697 gmz12.benchmarkcenter.megware.com {4,196}
[0] MPI startup(): 5 1069667 gmz12.benchmarkcenter.megware.com {5,197}
[0] MPI startup(): 6 1069617 gmz12.benchmarkcenter.megware.com {6,198}
[0] MPI startup(): 7 1069688 gmz12.benchmarkcenter.megware.com {7,199}
[0] MPI startup(): 8 1069722 gmz12.benchmarkcenter.megware.com {8,200}
[0] MPI startup(): 9 1069643 gmz12.benchmarkcenter.megware.com {9,201}
[0] MPI startup(): 10 1069718 gmz12.benchmarkcenter.megware.com {10,202}
[0] MPI startup(): 11 1069587 gmz12.benchmarkcenter.megware.com {11,203}
[0] MPI startup(): 12 1069583 gmz12.benchmarkcenter.megware.com {12,204}
[0] MPI startup(): 13 1069709 gmz12.benchmarkcenter.megware.com {13,205}
[0] MPI startup(): 14 1069599 gmz12.benchmarkcenter.megware.com {14,206}
[0] MPI startup(): 15 1069734 gmz12.benchmarkcenter.megware.com {15,207}
[0] MPI startup(): 16 1069727 gmz12.benchmarkcenter.megware.com {16,208}
[0] MPI startup(): 17 1069695 gmz12.benchmarkcenter.megware.com {17,209}
[0] MPI startup(): 18 1069602 gmz12.benchmarkcenter.megware.com {18,210}
[0] MPI startup(): 19 1069564 gmz12.benchmarkcenter.megware.com {19,211}
[0] MPI startup(): 20 1069612 gmz12.benchmarkcenter.megware.com {20,212}
[0] MPI startup(): 21 1069586 gmz12.benchmarkcenter.megware.com {21,213}
[0] MPI startup(): 22 1069609 gmz12.benchmarkcenter.megware.com {22,214}
[0] MPI startup(): 23 1069570 gmz12.benchmarkcenter.megware.com {23,215}
[0] MPI startup(): 24 1069606 gmz12.benchmarkcenter.megware.com {24,216}
[0] MPI startup(): 25 1069638 gmz12.benchmarkcenter.megware.com {25,217}
[0] MPI startup(): 26 1069610 gmz12.benchmarkcenter.megware.com {26,218}
[0] MPI startup(): 27 1069690 gmz12.benchmarkcenter.megware.com {27,219}
[0] MPI startup(): 28 1069689 gmz12.benchmarkcenter.megware.com {28,220}
[0] MPI startup(): 29 1069633 gmz12.benchmarkcenter.megware.com {29,221}
[0] MPI startup(): 30 1069632 gmz12.benchmarkcenter.megware.com {30,222}
[0] MPI startup(): 31 1069639 gmz12.benchmarkcenter.megware.com {31,223}
[0] MPI startup(): 32 1069640 gmz12.benchmarkcenter.megware.com {32,224}
[0] MPI startup(): 33 1069651 gmz12.benchmarkcenter.megware.com {33,225}
[0] MPI startup(): 34 1069701 gmz12.benchmarkcenter.megware.com {34,226}
[0] MPI startup(): 35 1069568 gmz12.benchmarkcenter.megware.com {35,227}
[0] MPI startup(): 36 1069576 gmz12.benchmarkcenter.megware.com {36,228}
[0] MPI startup(): 37 1069708 gmz12.benchmarkcenter.megware.com {37,229}
[0] MPI startup(): 38 1069642 gmz12.benchmarkcenter.megware.com {38,230}
[0] MPI startup(): 39 1069567 gmz12.benchmarkcenter.megware.com {39,231}
[0] MPI startup(): 40 1069698 gmz12.benchmarkcenter.megware.com {40,232}
[0] MPI startup(): 41 1069700 gmz12.benchmarkcenter.megware.com {41,233}
[0] MPI startup(): 42 1069625 gmz12.benchmarkcenter.megware.com {42,234}
[0] MPI startup(): 43 1069659 gmz12.benchmarkcenter.megware.com {43,235}
[0] MPI startup(): 44 1069611 gmz12.benchmarkcenter.megware.com {44,236}
[0] MPI startup(): 45 1069607 gmz12.benchmarkcenter.megware.com {45,237}
[0] MPI startup(): 46 1069687 gmz12.benchmarkcenter.megware.com {46,238}
[0] MPI startup(): 47 1069664 gmz12.benchmarkcenter.megware.com {47,239}
[0] MPI startup(): 48 1069645 gmz12.benchmarkcenter.megware.com {48,240}
[0] MPI startup(): 49 1069603 gmz12.benchmarkcenter.megware.com {49,241}
[0] MPI startup(): 50 1069608 gmz12.benchmarkcenter.megware.com {50,242}
[0] MPI startup(): 51 1069707 gmz12.benchmarkcenter.megware.com {51,243}
[0] MPI startup(): 52 1069655 gmz12.benchmarkcenter.megware.com {52,244}
[0] MPI startup(): 53 1069723 gmz12.benchmarkcenter.megware.com {53,245}
[0] MPI startup(): 54 1069613 gmz12.benchmarkcenter.megware.com {54,246}
[0] MPI startup(): 55 1069649 gmz12.benchmarkcenter.megware.com {55,247}
[0] MPI startup(): 56 1069571 gmz12.benchmarkcenter.megware.com {56,248}
[0] MPI startup(): 57 1069572 gmz12.benchmarkcenter.megware.com {57,249}
[0] MPI startup(): 58 1069753 gmz12.benchmarkcenter.megware.com {58,250}
[0] MPI startup(): 59 1069594 gmz12.benchmarkcenter.megware.com {59,251}
[0] MPI startup(): 60 1069575 gmz12.benchmarkcenter.megware.com {60,252}
[0] MPI startup(): 61 1069601 gmz12.benchmarkcenter.megware.com {61,253}
[0] MPI startup(): 62 1069680 gmz12.benchmarkcenter.megware.com {62,254}
[0] MPI startup(): 63 1069650 gmz12.benchmarkcenter.megware.com {63,255}
[0] MPI startup(): 64 1069665 gmz12.benchmarkcenter.megware.com {64,256}
[0] MPI startup(): 65 1069619 gmz12.benchmarkcenter.megware.com {65,257}
[0] MPI startup(): 66 1069569 gmz12.benchmarkcenter.megware.com {66,258}
[0] MPI startup(): 67 1069736 gmz12.benchmarkcenter.megware.com {67,259}
[0] MPI startup(): 68 1069662 gmz12.benchmarkcenter.megware.com {68,260}
[0] MPI startup(): 69 1069641 gmz12.benchmarkcenter.megware.com {69,261}
[0] MPI startup(): 70 1069578 gmz12.benchmarkcenter.megware.com {70,262}
[0] MPI startup(): 71 1069631 gmz12.benchmarkcenter.megware.com {71,263}
[0] MPI startup(): 72 1069728 gmz12.benchmarkcenter.megware.com {72,264}
[0] MPI startup(): 73 1069644 gmz12.benchmarkcenter.megware.com {73,265}
[0] MPI startup(): 74 1069661 gmz12.benchmarkcenter.megware.com {74,266}
[0] MPI startup(): 75 1069637 gmz12.benchmarkcenter.megware.com {75,267}
[0] MPI startup(): 76 1069629 gmz12.benchmarkcenter.megware.com {76,268}
[0] MPI startup(): 77 1069630 gmz12.benchmarkcenter.megware.com {77,269}
[0] MPI startup(): 78 1069647 gmz12.benchmarkcenter.megware.com {78,270}
[0] MPI startup(): 79 1069654 gmz12.benchmarkcenter.megware.com {79,271}
[0] MPI startup(): 80 1069562 gmz12.benchmarkcenter.megware.com {80,272}
[0] MPI startup(): 81 1069750 gmz12.benchmarkcenter.megware.com {81,273}
[0] MPI startup(): 82 1069589 gmz12.benchmarkcenter.megware.com {82,274}
[0] MPI startup(): 83 1069560 gmz12.benchmarkcenter.megware.com {83,275}
[0] MPI startup(): 84 1069561 gmz12.benchmarkcenter.megware.com {84,276}
[0] MPI startup(): 85 1069691 gmz12.benchmarkcenter.megware.com {85,277}
[0] MPI startup(): 86 1069725 gmz12.benchmarkcenter.megware.com {86,278}
[0] MPI startup(): 87 1069692 gmz12.benchmarkcenter.megware.com {87,279}
[0] MPI startup(): 88 1069648 gmz12.benchmarkcenter.megware.com {88,280}
[0] MPI startup(): 89 1069729 gmz12.benchmarkcenter.megware.com {89,281}
[0] MPI startup(): 90 1069658 gmz12.benchmarkcenter.megware.com {90,282}
[0] MPI startup(): 91 1069581 gmz12.benchmarkcenter.megware.com {91,283}
[0] MPI startup(): 92 1069653 gmz12.benchmarkcenter.megware.com {92,284}
[0] MPI startup(): 93 1069620 gmz12.benchmarkcenter.megware.com {93,285}
[0] MPI startup(): 94 1069652 gmz12.benchmarkcenter.megware.com {94,286}
[0] MPI startup(): 95 1069743 gmz12.benchmarkcenter.megware.com {95,287}
[0] MPI startup(): 96 1069573 gmz12.benchmarkcenter.megware.com {96,288}
[0] MPI startup(): 97 1069605 gmz12.benchmarkcenter.megware.com {97,289}
[0] MPI startup(): 98 1069733 gmz12.benchmarkcenter.megware.com {98,290}
[0] MPI startup(): 99 1069694 gmz12.benchmarkcenter.megware.com {99,291}
[0] MPI startup(): 100 1069693 gmz12.benchmarkcenter.megware.com {100,292}
[0] MPI startup(): 101 1069621 gmz12.benchmarkcenter.megware.com {101,293}
[0] MPI startup(): 102 1069676 gmz12.benchmarkcenter.megware.com {102,294}
[0] MPI startup(): 103 1069706 gmz12.benchmarkcenter.megware.com {103,295}
[0] MPI startup(): 104 1069584 gmz12.benchmarkcenter.megware.com {104,296}
[0] MPI startup(): 105 1069699 gmz12.benchmarkcenter.megware.com {105,297}
[0] MPI startup(): 106 1069732 gmz12.benchmarkcenter.megware.com {106,298}
[0] MPI startup(): 107 1069668 gmz12.benchmarkcenter.megware.com {107,299}
[0] MPI startup(): 108 1069747 gmz12.benchmarkcenter.megware.com {108,300}
[0] MPI startup(): 109 1069673 gmz12.benchmarkcenter.megware.com {109,301}
[0] MPI startup(): 110 1069614 gmz12.benchmarkcenter.megware.com {110,302}
[0] MPI startup(): 111 1069675 gmz12.benchmarkcenter.megware.com {111,303}
[0] MPI startup(): 112 1069597 gmz12.benchmarkcenter.megware.com {112,304}
[0] MPI startup(): 113 1069616 gmz12.benchmarkcenter.megware.com {113,305}
[0] MPI startup(): 114 1069741 gmz12.benchmarkcenter.megware.com {114,306}
[0] MPI startup(): 115 1069563 gmz12.benchmarkcenter.megware.com {115,307}
[0] MPI startup(): 116 1069731 gmz12.benchmarkcenter.megware.com {116,308}
[0] MPI startup(): 117 1069726 gmz12.benchmarkcenter.megware.com {117,309}
[0] MPI startup(): 118 1069666 gmz12.benchmarkcenter.megware.com {118,310}
[0] MPI startup(): 119 1069739 gmz12.benchmarkcenter.megware.com {119,311}
[0] MPI startup(): 120 1069674 gmz12.benchmarkcenter.megware.com {120,312}
[0] MPI startup(): 121 1069565 gmz12.benchmarkcenter.megware.com {121,313}
[0] MPI startup(): 122 1069746 gmz12.benchmarkcenter.megware.com {122,314}
[0] MPI startup(): 123 1069744 gmz12.benchmarkcenter.megware.com {123,315}
[0] MPI startup(): 124 1069660 gmz12.benchmarkcenter.megware.com {124,316}
[0] MPI startup(): 125 1069678 gmz12.benchmarkcenter.megware.com {125,317}
[0] MPI startup(): 126 1069577 gmz12.benchmarkcenter.megware.com {126,318}
[0] MPI startup(): 127 1069716 gmz12.benchmarkcenter.megware.com {127,319}
[0] MPI startup(): 128 1069684 gmz12.benchmarkcenter.megware.com {128,320}
[0] MPI startup(): 129 1069582 gmz12.benchmarkcenter.megware.com {129,321}
[0] MPI startup(): 130 1069679 gmz12.benchmarkcenter.megware.com {130,322}
[0] MPI startup(): 131 1069624 gmz12.benchmarkcenter.megware.com {131,323}
[0] MPI startup(): 132 1069580 gmz12.benchmarkcenter.megware.com {132,324}
[0] MPI startup(): 133 1069683 gmz12.benchmarkcenter.megware.com {133,325}
[0] MPI startup(): 134 1069712 gmz12.benchmarkcenter.megware.com {134,326}
[0] MPI startup(): 135 1069715 gmz12.benchmarkcenter.megware.com {135,327}
[0] MPI startup(): 136 1069710 gmz12.benchmarkcenter.megware.com {136,328}
[0] MPI startup(): 137 1069590 gmz12.benchmarkcenter.megware.com {137,329}
[0] MPI startup(): 138 1069681 gmz12.benchmarkcenter.megware.com {138,330}
[0] MPI startup(): 139 1069635 gmz12.benchmarkcenter.megware.com {139,331}
[0] MPI startup(): 140 1069604 gmz12.benchmarkcenter.megware.com {140,332}
[0] MPI startup(): 141 1069685 gmz12.benchmarkcenter.megware.com {141,333}
[0] MPI startup(): 142 1069748 gmz12.benchmarkcenter.megware.com {142,334}
[0] MPI startup(): 143 1069702 gmz12.benchmarkcenter.megware.com {143,335}
[0] MPI startup(): 144 1069618 gmz12.benchmarkcenter.megware.com {144,336}
[0] MPI startup(): 145 1069670 gmz12.benchmarkcenter.megware.com {145,337}
[0] MPI startup(): 146 1069751 gmz12.benchmarkcenter.megware.com {146,338}
[0] MPI startup(): 147 1069579 gmz12.benchmarkcenter.megware.com {147,339}
[0] MPI startup(): 148 1069745 gmz12.benchmarkcenter.megware.com {148,340}
[0] MPI startup(): 149 1069615 gmz12.benchmarkcenter.megware.com {149,341}
[0] MPI startup(): 150 1069735 gmz12.benchmarkcenter.megware.com {150,342}
[0] MPI startup(): 151 1069566 gmz12.benchmarkcenter.megware.com {151,343}
[0] MPI startup(): 152 1069672 gmz12.benchmarkcenter.megware.com {152,344}
[0] MPI startup(): 153 1069598 gmz12.benchmarkcenter.megware.com {153,345}
[0] MPI startup(): 154 1069713 gmz12.benchmarkcenter.megware.com {154,346}
[0] MPI startup(): 155 1069634 gmz12.benchmarkcenter.megware.com {155,347}
[0] MPI startup(): 156 1069627 gmz12.benchmarkcenter.megware.com {156,348}
[0] MPI startup(): 157 1069740 gmz12.benchmarkcenter.megware.com {157,349}
[0] MPI startup(): 158 1069600 gmz12.benchmarkcenter.megware.com {158,350}
[0] MPI startup(): 159 1069742 gmz12.benchmarkcenter.megware.com {159,351}
[0] MPI startup(): 160 1069626 gmz12.benchmarkcenter.megware.com {160,352}
[0] MPI startup(): 161 1069719 gmz12.benchmarkcenter.megware.com {161,353}
[0] MPI startup(): 162 1069595 gmz12.benchmarkcenter.megware.com {162,354}
[0] MPI startup(): 163 1069592 gmz12.benchmarkcenter.megware.com {163,355}
[0] MPI startup(): 164 1069677 gmz12.benchmarkcenter.megware.com {164,356}
[0] MPI startup(): 165 1069717 gmz12.benchmarkcenter.megware.com {165,357}
[0] MPI startup(): 166 1069669 gmz12.benchmarkcenter.megware.com {166,358}
[0] MPI startup(): 167 1069585 gmz12.benchmarkcenter.megware.com {167,359}
[0] MPI startup(): 168 1069703 gmz12.benchmarkcenter.megware.com {168,360}
[0] MPI startup(): 169 1069705 gmz12.benchmarkcenter.megware.com {169,361}
[0] MPI startup(): 170 1069749 gmz12.benchmarkcenter.megware.com {170,362}
[0] MPI startup(): 171 1069738 gmz12.benchmarkcenter.megware.com {171,363}
[0] MPI startup(): 172 1069622 gmz12.benchmarkcenter.megware.com {172,364}
[0] MPI startup(): 173 1069628 gmz12.benchmarkcenter.megware.com {173,365}
[0] MPI startup(): 174 1069663 gmz12.benchmarkcenter.megware.com {174,366}
[0] MPI startup(): 175 1069591 gmz12.benchmarkcenter.megware.com {175,367}
[0] MPI startup(): 176 1069686 gmz12.benchmarkcenter.megware.com {176,368}
[0] MPI startup(): 177 1069721 gmz12.benchmarkcenter.megware.com {177,369}
[0] MPI startup(): 178 1069646 gmz12.benchmarkcenter.megware.com {178,370}
[0] MPI startup(): 179 1069593 gmz12.benchmarkcenter.megware.com {179,371}
[0] MPI startup(): 180 1069737 gmz12.benchmarkcenter.megware.com {180,372}
[0] MPI startup(): 181 1069596 gmz12.benchmarkcenter.megware.com {181,373}
[0] MPI startup(): 182 1069682 gmz12.benchmarkcenter.megware.com {182,374}
[0] MPI startup(): 183 1069588 gmz12.benchmarkcenter.megware.com {183,375}
[0] MPI startup(): 184 1069671 gmz12.benchmarkcenter.megware.com {184,376}
[0] MPI startup(): 185 1069704 gmz12.benchmarkcenter.megware.com {185,377}
[0] MPI startup(): 186 1069752 gmz12.benchmarkcenter.megware.com {186,378}
[0] MPI startup(): 187 1069696 gmz12.benchmarkcenter.megware.com {187,379}
[0] MPI startup(): 188 1069574 gmz12.benchmarkcenter.megware.com {188,380}
[0] MPI startup(): 189 1069623 gmz12.benchmarkcenter.megware.com {189,381}
[0] MPI startup(): 190 1069636 gmz12.benchmarkcenter.megware.com {190,382}
[0] MPI startup(): 191 1069714 gmz12.benchmarkcenter.megware.com {191,383}
OMP: pid 1069680 tid 1069680 thread 0 bound to OS proc set {62}
OMP: pid 1069605 tid 1069605 thread 0 bound to OS proc set {97}
OMP: pid 1069652 tid 1069652 thread 0 bound to OS proc set {94}
OMP: pid 1069637 tid 1069637 thread 0 bound to OS proc set {75}
OMP: pid 1069600 tid 1069600 thread 0 bound to OS proc set {158}
OMP: pid 1069729 tid 1069729 thread 0 bound to OS proc set {89}
OMP: pid 1069674 tid 1069674 thread 0 bound to OS proc set {120}
OMP: pid 1069570 tid 1069570 thread 0 bound to OS proc set {23}
OMP: pid 1069560 tid 1069560 thread 0 bound to OS proc set {83}
OMP: pid 1069703 tid 1069703 thread 0 bound to OS proc set {168}
OMP: pid 1069646 tid 1069646 thread 0 bound to OS proc set {178}
OMP: pid 1069579 tid 1069579 thread 0 bound to OS proc set {147}
OMP: pid 1069744 tid 1069744 thread 0 bound to OS proc set {123}
OMP: pid 1069606 tid 1069606 thread 0 bound to OS proc set {24}
OMP: pid 1069592 tid 1069592 thread 0 bound to OS proc set {163}
OMP: pid 1069707 tid 1069707 thread 0 bound to OS proc set {51}
OMP: pid 1069722 tid 1069722 thread 0 bound to OS proc set {8}
OMP: pid 1069718 tid 1069718 thread 0 bound to OS proc set {10}
OMP: pid 1069585 tid 1069585 thread 0 bound to OS proc set {167}
OMP: pid 1069566 tid 1069566 thread 0 bound to OS proc set {151}
OMP: pid 1069594 tid 1069594 thread 0 bound to OS proc set {59}
OMP: pid 1069734 tid 1069734 thread 0 bound to OS proc set {15}
OMP: pid 1069738 tid 1069738 thread 0 bound to OS proc set {171}
OMP: pid 1069690 tid 1069690 thread 0 bound to OS proc set {27}
OMP: pid 1069571 tid 1069571 thread 0 bound to OS proc set {56}
OMP: pid 1069621 tid 1069621 thread 0 bound to OS proc set {101}
OMP: pid 1069577 tid 1069577 thread 0 bound to OS proc set {126}
OMP: pid 1069629 tid 1069629 thread 0 bound to OS proc set {76}
OMP: pid 1069719 tid 1069719 thread 0 bound to OS proc set {161}
OMP: pid 1069639 tid 1069639 thread 0 bound to OS proc set {31}
OMP: pid 1069720 tid 1069720 thread 0 bound to OS proc set {0}
OMP: pid 1069626 tid 1069626 thread 0 bound to OS proc set {160}
LAMMPS (22 Jul 2025)
OMP: pid 1069701 tid 1069701 thread 0 bound to OS proc set {34}
OMP: pid 1069581 tid 1069581 thread 0 bound to OS proc set {91}
OMP: pid 1069736 tid 1069736 thread 0 bound to OS proc set {67}
OMP: pid 1069565 tid 1069565 thread 0 bound to OS proc set {121}
OMP: pid 1069562 tid 1069562 thread 0 bound to OS proc set {80}
OMP: pid 1069746 tid 1069746 thread 0 bound to OS proc set {122}
OMP: pid 1069591 tid 1069591 thread 0 bound to OS proc set {175}
OMP: pid 1069664 tid 1069664 thread 0 bound to OS proc set {47}
OMP: pid 1069693 tid 1069693 thread 0 bound to OS proc set {100}
OMP: pid 1069663 tid 1069663 thread 0 bound to OS proc set {174}
OMP: pid 1069671 tid 1069671 thread 0 bound to OS proc set {184}
OMP: pid 1069617 tid 1069617 thread 0 bound to OS proc set {6}
OMP: pid 1069593 tid 1069593 thread 0 bound to OS proc set {179}
OMP: pid 1069574 tid 1069574 thread 0 bound to OS proc set {188}
OMP: pid 1069564 tid 1069564 thread 0 bound to OS proc set {19}
OMP: pid 1069730 tid 1069730 thread 0 bound to OS proc set {3}
OMP: pid 1069661 tid 1069661 thread 0 bound to OS proc set {74}
OMP: pid 1069655 tid 1069655 thread 0 bound to OS proc set {52}
OMP: pid 1069610 tid 1069610 thread 0 bound to OS proc set {26}
OMP: pid 1069683 tid 1069683 thread 0 bound to OS proc set {133}
OMP: pid 1069687 tid 1069687 thread 0 bound to OS proc set {46}
OMP: pid 1069667 tid 1069667 thread 0 bound to OS proc set {5}
OMP: pid 1069689 tid 1069689 thread 0 bound to OS proc set {28}
OMP: pid 1069589 tid 1069589 thread 0 bound to OS proc set {82}
OMP: pid 1069584 tid 1069584 thread 0 bound to OS proc set {104}
OMP: pid 1069710 tid 1069710 thread 0 bound to OS proc set {136}
OMP: pid 1069649 tid 1069649 thread 0 bound to OS proc set {55}
OMP: pid 1069650 tid 1069650 thread 0 bound to OS proc set {63}
OMP: pid 1069726 tid 1069726 thread 0 bound to OS proc set {117}
OMP: pid 1069713 tid 1069713 thread 0 bound to OS proc set {154}
OMP: pid 1069622 tid 1069622 thread 0 bound to OS proc set {172}
OMP: pid 1069714 tid 1069714 thread 0 bound to OS proc set {191}
OMP: pid 1069686 tid 1069686 thread 0 bound to OS proc set {176}
OMP: pid 1069619 tid 1069619 thread 0 bound to OS proc set {65}
OMP: pid 1069628 tid 1069628 thread 0 bound to OS proc set {173}
OMP: pid 1069620 tid 1069620 thread 0 bound to OS proc set {93}
OMP: pid 1069632 tid 1069632 thread 0 bound to OS proc set {30}
OMP: pid 1069642 tid 1069642 thread 0 bound to OS proc set {38}
OMP: pid 1069692 tid 1069692 thread 0 bound to OS proc set {87}
OMP: pid 1069694 tid 1069694 thread 0 bound to OS proc set {99}
OMP: pid 1069643 tid 1069643 thread 0 bound to OS proc set {9}
OMP: pid 1069750 tid 1069750 thread 0 bound to OS proc set {81}
OMP: pid 1069677 tid 1069677 thread 0 bound to OS proc set {164}
OMP: pid 1069748 tid 1069748 thread 0 bound to OS proc set {142}
OMP: pid 1069668 tid 1069668 thread 0 bound to OS proc set {107}
OMP: pid 1069739 tid 1069739 thread 0 bound to OS proc set {119}
OMP: pid 1069696 tid 1069696 thread 0 bound to OS proc set {187}
OMP: pid 1069669 tid 1069669 thread 0 bound to OS proc set {166}
OMP: pid 1069582 tid 1069582 thread 0 bound to OS proc set {129}
OMP: pid 1069665 tid 1069665 thread 0 bound to OS proc set {64}
OMP: pid 1069640 tid 1069640 thread 0 bound to OS proc set {32}
OMP: pid 1069630 tid 1069630 thread 0 bound to OS proc set {77}
OMP: pid 1069749 tid 1069749 thread 0 bound to OS proc set {170}
OMP: pid 1069752 tid 1069752 thread 0 bound to OS proc set {186}
OMP: pid 1069733 tid 1069733 thread 0 bound to OS proc set {98}
OMP: pid 1069657 tid 1069657 thread 0 bound to OS proc set {2}
OMP: pid 1069586 tid 1069586 thread 0 bound to OS proc set {21}
OMP: pid 1069623 tid 1069623 thread 0 bound to OS proc set {189}
OMP: pid 1069721 tid 1069721 thread 0 bound to OS proc set {177}
OMP: pid 1069651 tid 1069651 thread 0 bound to OS proc set {33}
OMP: pid 1069614 tid 1069614 thread 0 bound to OS proc set {110}
OMP: pid 1069633 tid 1069633 thread 0 bound to OS proc set {29}
OMP: pid 1069753 tid 1069753 thread 0 bound to OS proc set {58}
OMP: pid 1069561 tid 1069561 thread 0 bound to OS proc set {84}
OMP: pid 1069697 tid 1069697 thread 0 bound to OS proc set {4}
OMP: pid 1069641 tid 1069641 thread 0 bound to OS proc set {69}
OMP: pid 1069705 tid 1069705 thread 0 bound to OS proc set {169}
OMP: pid 1069627 tid 1069627 thread 0 bound to OS proc set {156}
OMP: pid 1069624 tid 1069624 thread 0 bound to OS proc set {131}
OMP: pid 1069698 tid 1069698 thread 0 bound to OS proc set {40}
OMP: pid 1069615 tid 1069615 thread 0 bound to OS proc set {149}
OMP: pid 1069648 tid 1069648 thread 0 bound to OS proc set {88}
OMP: pid 1069608 tid 1069608 thread 0 bound to OS proc set {50}
OMP: pid 1069609 tid 1069609 thread 0 bound to OS proc set {22}
OMP: pid 1069660 tid 1069660 thread 0 bound to OS proc set {124}
OMP: pid 1069625 tid 1069625 thread 0 bound to OS proc set {42}
OMP: pid 1069682 tid 1069682 thread 0 bound to OS proc set {182}
OMP: pid 1069597 tid 1069597 thread 0 bound to OS proc set {112}
OMP: pid 1069699 tid 1069699 thread 0 bound to OS proc set {105}
OMP: pid 1069666 tid 1069666 thread 0 bound to OS proc set {118}
OMP: pid 1069708 tid 1069708 thread 0 bound to OS proc set {37}
OMP: pid 1069723 tid 1069723 thread 0 bound to OS proc set {53}
OMP: pid 1069685 tid 1069685 thread 0 bound to OS proc set {141}
OMP: pid 1069580 tid 1069580 thread 0 bound to OS proc set {132}
OMP: pid 1069684 tid 1069684 thread 0 bound to OS proc set {128}
OMP: pid 1069587 tid 1069587 thread 0 bound to OS proc set {11}
OMP: pid 1069588 tid 1069588 thread 0 bound to OS proc set {183}
OMP: pid 1069636 tid 1069636 thread 0 bound to OS proc set {190}
OMP: pid 1069688 tid 1069688 thread 0 bound to OS proc set {7}
OMP: pid 1069603 tid 1069603 thread 0 bound to OS proc set {49}
OMP: pid 1069573 tid 1069573 thread 0 bound to OS proc set {96}
OMP: pid 1069611 tid 1069611 thread 0 bound to OS proc set {44}
OMP: pid 1069737 tid 1069737 thread 0 bound to OS proc set {180}
OMP: pid 1069673 tid 1069673 thread 0 bound to OS proc set {109}
OMP: pid 1069747 tid 1069747 thread 0 bound to OS proc set {108}
OMP: pid 1069691 tid 1069691 thread 0 bound to OS proc set {85}
OMP: pid 1069590 tid 1069590 thread 0 bound to OS proc set {137}
OMP: pid 1069672 tid 1069672 thread 0 bound to OS proc set {152}
OMP: pid 1069712 tid 1069712 thread 0 bound to OS proc set {134}
OMP: pid 1069572 tid 1069572 thread 0 bound to OS proc set {57}
OMP: pid 1069732 tid 1069732 thread 0 bound to OS proc set {106}
OMP: pid 1069653 tid 1069653 thread 0 bound to OS proc set {92}
OMP: pid 1069706 tid 1069706 thread 0 bound to OS proc set {103}
OMP: pid 1069740 tid 1069740 thread 0 bound to OS proc set {157}
OMP: pid 1069709 tid 1069709 thread 0 bound to OS proc set {13}
OMP: pid 1069735 tid 1069735 thread 0 bound to OS proc set {150}
OMP: pid 1069654 tid 1069654 thread 0 bound to OS proc set {79}
OMP: pid 1069676 tid 1069676 thread 0 bound to OS proc set {102}
OMP: pid 1069583 tid 1069583 thread 0 bound to OS proc set {12}
OMP: pid 1069638 tid 1069638 thread 0 bound to OS proc set {25}
OMP: pid 1069751 tid 1069751 thread 0 bound to OS proc set {146}
OMP: pid 1069645 tid 1069645 thread 0 bound to OS proc set {48}
OMP: pid 1069716 tid 1069716 thread 0 bound to OS proc set {127}
OMP: pid 1069695 tid 1069695 thread 0 bound to OS proc set {17}
OMP: pid 1069578 tid 1069578 thread 0 bound to OS proc set {70}
OMP: pid 1069731 tid 1069731 thread 0 bound to OS proc set {116}
OMP: pid 1069595 tid 1069595 thread 0 bound to OS proc set {162}
OMP: pid 1069670 tid 1069670 thread 0 bound to OS proc set {145}
OMP: pid 1069700 tid 1069700 thread 0 bound to OS proc set {41}
OMP: pid 1069678 tid 1069678 thread 0 bound to OS proc set {125}
OMP: pid 1069644 tid 1069644 thread 0 bound to OS proc set {73}
OMP: pid 1069743 tid 1069743 thread 0 bound to OS proc set {95}
OMP: pid 1069596 tid 1069596 thread 0 bound to OS proc set {181}
OMP: pid 1069717 tid 1069717 thread 0 bound to OS proc set {165}
OMP: pid 1069631 tid 1069631 thread 0 bound to OS proc set {71}
OMP: pid 1069647 tid 1069647 thread 0 bound to OS proc set {78}
OMP: pid 1069616 tid 1069616 thread 0 bound to OS proc set {113}
OMP: pid 1069656 tid 1069656 thread 0 bound to OS proc set {1}
OMP: pid 1069728 tid 1069728 thread 0 bound to OS proc set {72}
OMP: pid 1069598 tid 1069598 thread 0 bound to OS proc set {153}
OMP: pid 1069568 tid 1069568 thread 0 bound to OS proc set {35}
OMP: pid 1069618 tid 1069618 thread 0 bound to OS proc set {144}
OMP: pid 1069659 tid 1069659 thread 0 bound to OS proc set {43}
OMP: pid 1069662 tid 1069662 thread 0 bound to OS proc set {68}
OMP: pid 1069715 tid 1069715 thread 0 bound to OS proc set {135}
OMP: pid 1069634 tid 1069634 thread 0 bound to OS proc set {155}
OMP: pid 1069599 tid 1069599 thread 0 bound to OS proc set {14}
OMP: pid 1069576 tid 1069576 thread 0 bound to OS proc set {36}
OMP: pid 1069741 tid 1069741 thread 0 bound to OS proc set {114}
OMP: pid 1069601 tid 1069601 thread 0 bound to OS proc set {61}
OMP: pid 1069635 tid 1069635 thread 0 bound to OS proc set {139}
OMP: pid 1069675 tid 1069675 thread 0 bound to OS proc set {111}
OMP: pid 1069602 tid 1069602 thread 0 bound to OS proc set {18}
OMP: pid 1069745 tid 1069745 thread 0 bound to OS proc set {148}
OMP: pid 1069612 tid 1069612 thread 0 bound to OS proc set {20}
OMP: pid 1069679 tid 1069679 thread 0 bound to OS proc set {130}
OMP: pid 1069727 tid 1069727 thread 0 bound to OS proc set {16}
OMP: pid 1069658 tid 1069658 thread 0 bound to OS proc set {90}
OMP: pid 1069613 tid 1069613 thread 0 bound to OS proc set {54}
OMP: pid 1069725 tid 1069725 thread 0 bound to OS proc set {86}
OMP: pid 1069702 tid 1069702 thread 0 bound to OS proc set {143}
OMP: pid 1069563 tid 1069563 thread 0 bound to OS proc set {115}
OMP: pid 1069681 tid 1069681 thread 0 bound to OS proc set {138}
OMP: pid 1069604 tid 1069604 thread 0 bound to OS proc set {140}
OMP: pid 1069704 tid 1069704 thread 0 bound to OS proc set {185}
OMP: pid 1069567 tid 1069567 thread 0 bound to OS proc set {39}
OMP: pid 1069742 tid 1069742 thread 0 bound to OS proc set {159}
OMP: pid 1069575 tid 1069575 thread 0 bound to OS proc set {60}
OMP: pid 1069569 tid 1069569 thread 0 bound to OS proc set {66}
OMP: pid 1069607 tid 1069607 thread 0 bound to OS proc set {45}
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 = 0.015 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 1.45576 on 192 procs for 10 steps with 32768000 atoms
Performance: 2.968 ns/day, 8.088 hours/ns, 6.869 timesteps/s, 225.092 Matom-step/s
98.7% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.075 | 1.0958 | 1.1192 | 0.8 | 75.28
Neigh | 0.17934 | 0.18489 | 0.19015 | 0.6 | 12.70
Comm | 0.048029 | 0.069366 | 0.091219 | 3.3 | 4.76
Output | 0.0014682 | 0.0021148 | 0.0031142 | 1.1 | 0.15
Modify | 0.052112 | 0.07476 | 0.081493 | 1.6 | 5.14
Other | | 0.02881 | | | 1.98
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 98.52 on 192 procs for 500 steps with 32768000 atoms
Performance: 2.192 ns/day, 10.947 hours/ns, 5.075 timesteps/s, 166.301 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 | 72.151 | 73.263 | 75.62 | 6.9 | 74.36
Neigh | 16.224 | 16.553 | 16.873 | 3.1 | 16.80
Comm | 2.4461 | 4.4629 | 5.7636 | 27.7 | 4.53
Output | 0.015397 | 0.017926 | 0.023993 | 1.3 | 0.02
Modify | 1.9338 | 2.9706 | 3.7743 | 26.1 | 3.02
Other | | 1.253 | | | 1.27
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: 0:01:41
[MAQAO] Info: 116/192 lprof instances finished
[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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5
To display your profiling results:
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# 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/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/multicore/aocc/oneview_results_1758153279/tools/lprof_npsu_run_5 #
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