* [MAQAO] Info: Detected 6 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 293997 isix02.benchmarkcenter.megware.com {0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,
30,31,32,33,34,35,36,37,38,39,40,41,42,256,257,258,259,260,261,262,263,264,265,2
66,267,268,269,270,271,272,273,274,275,276,277,278,279,280,281,282,283,284,285,2
86,287,288,289,290,291,292,293,294,295,296,297}
[0] MPI startup(): 1 293995 isix02.benchmarkcenter.megware.com {43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69
,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,298,299,300,301,302,303,304,305,30
6,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,324,325,32
6,327,328,329,330,331,332,333,334,335,336,337,338,339,340}
[0] MPI startup(): 2 293994 isix02.benchmarkcenter.megware.com {85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108
,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,341
,342,343,344,345,346,347,348,349,350,351,352,353,354,355,356,357,358,359,360,361
,362,363,364,365,366,367,368,369,370,371,372,373,374,375,376,377,378,379,380,381
,382}
[0] MPI startup(): 3 293999 isix02.benchmarkcenter.megware.com {128,129,130,131,132,133,134,135,136,137,138,139,140,141,142,143,144,145,146,147,
148,149,150,151,152,153,154,155,156,157,158,159,160,161,162,163,164,165,166,167,
168,169,383,384,385,386,387,388,389,390,391,392,393,394,395,396,397,398,399,400,
401,402,403,404,405,406,407,408,409,410,411,412,413,414,415,416,417,418,419,420,
421,422,423,424,425}
[0] MPI startup(): 4 293996 isix02.benchmarkcenter.megware.com {170,171,172,173,174,175,176,177,178,179,180,181,182,183,184,185,186,187,188,189,
190,191,192,193,194,195,196,197,198,199,200,201,202,203,204,205,206,207,208,209,
210,211,212,426,427,428,429,430,431,432,433,434,435,436,437,438,439,440,441,442,
443,444,445,446,447,448,449,450,451,452,453,454,455,456,457,458,459,460,461,462,
463,464,465,466,467}
[0] MPI startup(): 5 293998 isix02.benchmarkcenter.megware.com {213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,
233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,248,249,250,251,252,
253,254,468,469,470,471,472,473,474,475,476,477,478,479,480,481,482,483,484,485,
486,487,488,489,490,491,492,493,494,495,496,497,498,499,500,501,502,503,504,505,
506,507,508,509,510}
OMP: pid 293994 tid 293994 thread 0 bound to OS proc set {85}
OMP: pid 293996 tid 293996 thread 0 bound to OS proc set {170}
OMP: pid 293999 tid 293999 thread 0 bound to OS proc set {383}
OMP: pid 293998 tid 293998 thread 0 bound to OS proc set {468}
OMP: pid 293995 tid 293995 thread 0 bound to OS proc set {298}
OMP: pid 293997 tid 293997 thread 0 bound to OS proc set {0}
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)
3 by 1 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 = 0.279 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 4.725e+04 | 4.732e+04 | 4.747e+04 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 16.0506 on 6 procs for 10 steps with 32768000 atoms
Performance: 0.269 ns/day, 89.170 hours/ns, 0.623 timesteps/s, 20.415 Matom-step/s
99.5% CPU use with 6 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 13.04 | 13.132 | 13.487 | 4.4 | 81.82
Neigh | 0.90053 | 0.90469 | 0.91254 | 0.4 | 5.64
Comm | 0.92714 | 1.2714 | 1.3789 | 13.9 | 7.92
Output | 0.01144 | 0.012085 | 0.012784 | 0.4 | 0.08
Modify | 0.49423 | 0.50868 | 0.53446 | 1.8 | 3.17
Other | | 0.2214 | | | 1.38
Nlocal: 5.46133e+06 ave 5.46575e+06 max 5.45254e+06 min
Histogram: 2 0 0 0 0 0 0 0 0 4
Nghost: 542678 ave 545498 max 541240 min
Histogram: 4 0 0 0 0 0 0 0 1 1
Neighs: 2.05574e+08 ave 2.05756e+08 max 2.05245e+08 min
Histogram: 2 0 0 0 0 0 0 0 0 4
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 4.725e+04 | 4.732e+04 | 4.747e+04 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.824
350 797.80491 -1.12579e+08 0 -1.0919982e+08 51537.469
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.398
450 797.84596 -1.1257917e+08 0 -1.0919981e+08 51536.932
500 797.72451 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68252 -1.1257846e+08 0 -1.091998e+08 51545.154
Loop time of 883.754 on 6 procs for 500 steps with 32768000 atoms
Performance: 0.244 ns/day, 98.195 hours/ns, 0.566 timesteps/s, 18.539 Matom-step/s
99.5% CPU use with 6 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 678.19 | 684.56 | 705.52 | 36.3 | 77.46
Neigh | 78.067 | 78.883 | 82.142 | 16.5 | 8.93
Comm | 64.614 | 84.447 | 91.253 | 98.3 | 9.56
Output | 0.11872 | 0.12579 | 0.13768 | 1.9 | 0.01
Modify | 24.84 | 25.444 | 26.559 | 11.5 | 2.88
Other | | 10.3 | | | 1.17
Nlocal: 5.46133e+06 ave 5.46624e+06 max 5.45255e+06 min
Histogram: 2 0 0 0 0 0 0 0 1 3
Nghost: 541921 ave 543179 max 540724 min
Histogram: 2 0 0 0 1 1 0 0 1 1
Neighs: 2.06149e+08 ave 2.0635e+08 max 2.05812e+08 min
Histogram: 2 0 0 0 0 0 0 0 2 2
Total # of neighbors = 1.2368968e+09
Ave neighs/atom = 37.747094
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:15:06
[MAQAO] Info: 5/6 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/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_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_0 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 96 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 294425 isix02.benchmarkcenter.megware.com {0,1,2,256,257}
[0] MPI startup(): 1 294392 isix02.benchmarkcenter.megware.com {3,4,258,259,260}
[0] MPI startup(): 2 294433 isix02.benchmarkcenter.megware.com {5,6,7,261,262}
[0] MPI startup(): 3 294436 isix02.benchmarkcenter.megware.com {8,9,263,264,265}
[0] MPI startup(): 4 294428 isix02.benchmarkcenter.megware.com {10,11,12,266,267}
[0] MPI startup(): 5 294386 isix02.benchmarkcenter.megware.com {13,14,268,269,270}
[0] MPI startup(): 6 294459 isix02.benchmarkcenter.megware.com {15,16,17,271,272}
[0] MPI startup(): 7 294441 isix02.benchmarkcenter.megware.com {18,19,273,274,275}
[0] MPI startup(): 8 294461 isix02.benchmarkcenter.megware.com {20,21,22,276,277}
[0] MPI startup(): 9 294460 isix02.benchmarkcenter.megware.com {23,24,278,279,280}
[0] MPI startup(): 10 294383 isix02.benchmarkcenter.megware.com {25,26,27,281,282}
[0] MPI startup(): 11 294377 isix02.benchmarkcenter.megware.com {28,29,283,284,285}
[0] MPI startup(): 12 294405 isix02.benchmarkcenter.megware.com {30,31,32,286,287}
[0] MPI startup(): 13 294466 isix02.benchmarkcenter.megware.com {33,34,288,289,290}
[0] MPI startup(): 14 294402 isix02.benchmarkcenter.megware.com {35,36,37,291,292}
[0] MPI startup(): 15 294414 isix02.benchmarkcenter.megware.com {38,39,293,294,295}
[0] MPI startup(): 16 294446 isix02.benchmarkcenter.megware.com {40,41,42,296,297}
[0] MPI startup(): 17 294384 isix02.benchmarkcenter.megware.com {43,44,298,299,300}
[0] MPI startup(): 18 294398 isix02.benchmarkcenter.megware.com {45,46,47,301,302}
[0] MPI startup(): 19 294380 isix02.benchmarkcenter.megware.com {48,49,303,304,305}
[0] MPI startup(): 20 294453 isix02.benchmarkcenter.megware.com {50,51,52,306,307}
[0] MPI startup(): 21 294393 isix02.benchmarkcenter.megware.com {53,54,308,309,310}
[0] MPI startup(): 22 294409 isix02.benchmarkcenter.megware.com {55,56,57,311,312}
[0] MPI startup(): 23 294468 isix02.benchmarkcenter.megware.com {58,59,313,314,315}
[0] MPI startup(): 24 294455 isix02.benchmarkcenter.megware.com {60,61,62,316,317}
[0] MPI startup(): 25 294448 isix02.benchmarkcenter.megware.com {63,64,318,319,320}
[0] MPI startup(): 26 294399 isix02.benchmarkcenter.megware.com {65,66,67,321,322}
[0] MPI startup(): 27 294390 isix02.benchmarkcenter.megware.com {68,69,323,324,325}
[0] MPI startup(): 28 294456 isix02.benchmarkcenter.megware.com {70,71,72,326,327}
[0] MPI startup(): 29 294376 isix02.benchmarkcenter.megware.com {73,74,328,329,330}
[0] MPI startup(): 30 294394 isix02.benchmarkcenter.megware.com {75,76,77,331,332}
[0] MPI startup(): 31 294406 isix02.benchmarkcenter.megware.com {78,79,333,334,335}
[0] MPI startup(): 32 294432 isix02.benchmarkcenter.megware.com {80,81,82,336,337}
[0] MPI startup(): 33 294389 isix02.benchmarkcenter.megware.com {83,84,338,339,340}
[0] MPI startup(): 34 294385 isix02.benchmarkcenter.megware.com {85,86,87,341,342}
[0] MPI startup(): 35 294421 isix02.benchmarkcenter.megware.com {88,89,343,344,345}
[0] MPI startup(): 36 294400 isix02.benchmarkcenter.megware.com {90,91,92,346,347}
[0] MPI startup(): 37 294410 isix02.benchmarkcenter.megware.com {93,94,348,349,350}
[0] MPI startup(): 38 294413 isix02.benchmarkcenter.megware.com {95,96,97,351,352}
[0] MPI startup(): 39 294454 isix02.benchmarkcenter.megware.com {98,99,353,354,355}
[0] MPI startup(): 40 294412 isix02.benchmarkcenter.megware.com {100,101,102,356,357}
[0] MPI startup(): 41 294464 isix02.benchmarkcenter.megware.com {103,104,358,359,360}
[0] MPI startup(): 42 294419 isix02.benchmarkcenter.megware.com {105,106,107,361,362}
[0] MPI startup(): 43 294404 isix02.benchmarkcenter.megware.com {108,109,363,364,365}
[0] MPI startup(): 44 294429 isix02.benchmarkcenter.megware.com {110,111,112,366,367}
[0] MPI startup(): 45 294424 isix02.benchmarkcenter.megware.com {113,114,368,369,370}
[0] MPI startup(): 46 294439 isix02.benchmarkcenter.megware.com {115,116,117,371,372}
[0] MPI startup(): 47 294465 isix02.benchmarkcenter.megware.com {118,119,373,374,375}
[0] MPI startup(): 48 294467 isix02.benchmarkcenter.megware.com {120,121,122,376,377}
[0] MPI startup(): 49 294445 isix02.benchmarkcenter.megware.com {123,124,378,379,380}
[0] MPI startup(): 50 294417 isix02.benchmarkcenter.megware.com {125,126,127,381,382}
[0] MPI startup(): 51 294447 isix02.benchmarkcenter.megware.com {128,129,383,384,385}
[0] MPI startup(): 52 294388 isix02.benchmarkcenter.megware.com {130,131,132,386,387}
[0] MPI startup(): 53 294387 isix02.benchmarkcenter.megware.com {133,134,388,389,390}
[0] MPI startup(): 54 294443 isix02.benchmarkcenter.megware.com {135,136,137,391,392}
[0] MPI startup(): 55 294397 isix02.benchmarkcenter.megware.com {138,139,393,394,395}
[0] MPI startup(): 56 294411 isix02.benchmarkcenter.megware.com {140,141,142,396,397}
[0] MPI startup(): 57 294427 isix02.benchmarkcenter.megware.com {143,144,398,399,400}
[0] MPI startup(): 58 294442 isix02.benchmarkcenter.megware.com {145,146,147,401,402}
[0] MPI startup(): 59 294444 isix02.benchmarkcenter.megware.com {148,149,403,404,405}
[0] MPI startup(): 60 294440 isix02.benchmarkcenter.megware.com {150,151,152,406,407}
[0] MPI startup(): 61 294450 isix02.benchmarkcenter.megware.com {153,154,408,409,410}
[0] MPI startup(): 62 294381 isix02.benchmarkcenter.megware.com {155,156,157,411,412}
[0] MPI startup(): 63 294379 isix02.benchmarkcenter.megware.com {158,159,413,414,415}
[0] MPI startup(): 64 294375 isix02.benchmarkcenter.megware.com {160,161,162,416,417}
[0] MPI startup(): 65 294391 isix02.benchmarkcenter.megware.com {163,164,418,419,420}
[0] MPI startup(): 66 294415 isix02.benchmarkcenter.megware.com {165,166,167,421,422}
[0] MPI startup(): 67 294449 isix02.benchmarkcenter.megware.com {168,169,423,424,425}
[0] MPI startup(): 68 294374 isix02.benchmarkcenter.megware.com {170,171,172,426,427}
[0] MPI startup(): 69 294395 isix02.benchmarkcenter.megware.com {173,174,428,429,430}
[0] MPI startup(): 70 294408 isix02.benchmarkcenter.megware.com {175,176,177,431,432}
[0] MPI startup(): 71 294438 isix02.benchmarkcenter.megware.com {178,179,433,434,435}
[0] MPI startup(): 72 294457 isix02.benchmarkcenter.megware.com {180,181,182,436,437}
[0] MPI startup(): 73 294396 isix02.benchmarkcenter.megware.com {183,184,438,439,440}
[0] MPI startup(): 74 294407 isix02.benchmarkcenter.megware.com {185,186,187,441,442}
[0] MPI startup(): 75 294420 isix02.benchmarkcenter.megware.com {188,189,443,444,445}
[0] MPI startup(): 76 294435 isix02.benchmarkcenter.megware.com {190,191,192,446,447}
[0] MPI startup(): 77 294463 isix02.benchmarkcenter.megware.com {193,194,448,449,450}
[0] MPI startup(): 78 294418 isix02.benchmarkcenter.megware.com {195,196,197,451,452}
[0] MPI startup(): 79 294458 isix02.benchmarkcenter.megware.com {198,199,453,454,455}
[0] MPI startup(): 80 294431 isix02.benchmarkcenter.megware.com {200,201,202,456,457}
[0] MPI startup(): 81 294451 isix02.benchmarkcenter.megware.com {203,204,458,459,460}
[0] MPI startup(): 82 294373 isix02.benchmarkcenter.megware.com {205,206,207,461,462}
[0] MPI startup(): 83 294378 isix02.benchmarkcenter.megware.com {208,209,463,464,465}
[0] MPI startup(): 84 294422 isix02.benchmarkcenter.megware.com {210,211,212,466,467}
[0] MPI startup(): 85 294403 isix02.benchmarkcenter.megware.com {213,214,468,469,470}
[0] MPI startup(): 86 294434 isix02.benchmarkcenter.megware.com {215,216,217,471,472}
[0] MPI startup(): 87 294462 isix02.benchmarkcenter.megware.com {218,219,473,474,475}
[0] MPI startup(): 88 294423 isix02.benchmarkcenter.megware.com {220,221,222,476,477}
[0] MPI startup(): 89 294437 isix02.benchmarkcenter.megware.com {223,224,478,479,480}
[0] MPI startup(): 90 294452 isix02.benchmarkcenter.megware.com {225,226,227,481,482}
[0] MPI startup(): 91 294426 isix02.benchmarkcenter.megware.com {228,229,483,484,485}
[0] MPI startup(): 92 294401 isix02.benchmarkcenter.megware.com {230,231,232,486,487}
[0] MPI startup(): 93 294416 isix02.benchmarkcenter.megware.com {233,234,488,489,490}
[0] MPI startup(): 94 294430 isix02.benchmarkcenter.megware.com {235,236,237,491,492}
[0] MPI startup(): 95 294382 isix02.benchmarkcenter.megware.com {238,239,493,494,495}
OMP: pid 294450 tid 294450 thread 0 bound to OS proc set {408}
OMP: pid 294373 tid 294373 thread 0 bound to OS proc set {205}
OMP: pid 294408 tid 294408 thread 0 bound to OS proc set {175}
OMP: pid 294403 tid 294403 thread 0 bound to OS proc set {468}
OMP: pid 294453 tid 294453 thread 0 bound to OS proc set {50}
OMP: pid 294422 tid 294422 thread 0 bound to OS proc set {210}
OMP: pid 294448 tid 294448 thread 0 bound to OS proc set {318}
OMP: pid 294437 tid 294437 thread 0 bound to OS proc set {478}
OMP: pid 294460 tid 294460 thread 0 bound to OS proc set {278}
OMP: pid 294393 tid 294393 thread 0 bound to OS proc set {308}
OMP: pid 294434 tid 294434 thread 0 bound to OS proc set {215}
OMP: pid 294399 tid 294399 thread 0 bound to OS proc set {65}
OMP: pid 294382 tid 294382 thread 0 bound to OS proc set {493}
OMP: pid 294430 tid 294430 thread 0 bound to OS proc set {235}
OMP: pid 294385 tid 294385 thread 0 bound to OS proc set {85}
OMP: pid 294400 tid 294400 thread 0 bound to OS proc set {90}
OMP: pid 294432 tid 294432 thread 0 bound to OS proc set {80}
OMP: pid 294444 tid 294444 thread 0 bound to OS proc set {403}
OMP: pid 294388 tid 294388 thread 0 bound to OS proc set {130}
OMP: pid 294378 tid 294378 thread 0 bound to OS proc set {463}
OMP: pid 294381 tid 294381 thread 0 bound to OS proc set {155}
OMP: pid 294420 tid 294420 thread 0 bound to OS proc set {443}
OMP: pid 294431 tid 294431 thread 0 bound to OS proc set {200}
OMP: pid 294392 tid 294392 thread 0 bound to OS proc set {258}
OMP: pid 294463 tid 294463 thread 0 bound to OS proc set {448}
OMP: pid 294379 tid 294379 thread 0 bound to OS proc set {413}
OMP: pid 294384 tid 294384 thread 0 bound to OS proc set {298}
OMP: pid 294465 tid 294465 thread 0 bound to OS proc set {373}
OMP: pid 294447 tid 294447 thread 0 bound to OS proc set {383}
OMP: pid 294416 tid 294416 thread 0 bound to OS proc set {488}
OMP: pid 294413 tid 294413 thread 0 bound to OS proc set {95}
OMP: pid 294391 tid 294391 thread 0 bound to OS proc set {418}
OMP: pid 294462 tid 294462 thread 0 bound to OS proc set {473}
OMP: pid 294458 tid 294458 thread 0 bound to OS proc set {453}
OMP: pid 294428 tid 294428 thread 0 bound to OS proc set {10}
OMP: pid 294380 tid 294380 thread 0 bound to OS proc set {303}
OMP: pid 294412 tid 294412 thread 0 bound to OS proc set {100}
OMP: pid 294439 tid 294439 thread 0 bound to OS proc set {115}
OMP: pid 294445 tid 294445 thread 0 bound to OS proc set {378}
OMP: pid 294396 tid 294396 thread 0 bound to OS proc set {438}
OMP: pid 294410 tid 294410 thread 0 bound to OS proc set {348}
OMP: pid 294404 tid 294404 thread 0 bound to OS proc set {363}
OMP: pid 294423 tid 294423 thread 0 bound to OS proc set {220}
OMP: pid 294418 tid 294418 thread 0 bound to OS proc set {195}
OMP: pid 294386 tid 294386 thread 0 bound to OS proc set {268}
OMP: pid 294394 tid 294394 thread 0 bound to OS proc set {75}
OMP: pid 294395 tid 294395 thread 0 bound to OS proc set {428}
OMP: pid 294419 tid 294419 thread 0 bound to OS proc set {105}
OMP: pid 294438 tid 294438 thread 0 bound to OS proc set {433}
OMP: pid 294456 tid 294456 thread 0 bound to OS proc set {70}
OMP: pid 294401 tid 294401 thread 0 bound to OS proc set {230}
OMP: pid 294411 tid 294411 thread 0 bound to OS proc set {140}
OMP: pid 294387 tid 294387 thread 0 bound to OS proc set {388}
OMP: pid 294390 tid 294390 thread 0 bound to OS proc set {323}
OMP: pid 294405 tid 294405 thread 0 bound to OS proc set {30}
OMP: pid 294440 tid 294440 thread 0 bound to OS proc set {150}
OMP: pid 294406 tid 294406 thread 0 bound to OS proc set {333}
OMP: pid 294415 tid 294415 thread 0 bound to OS proc set {165}
OMP: pid 294441 tid 294441 thread 0 bound to OS proc set {273}
OMP: pid 294425 tid 294425 thread 0 bound to OS proc set {0}
OMP: pid 294436 tid 294436 thread 0 bound to OS proc set {263}
OMP: pid 294427 tid 294427 thread 0 bound to OS proc set {398}
OMP: pid 294435 tid 294435 thread 0 bound to OS proc set {190}
OMP: pid 294466 tid 294466 thread 0 bound to OS proc set {288}
OMP: pid 294451 tid 294451 thread 0 bound to OS proc set {458}
OMP: pid 294414 tid 294414 thread 0 bound to OS proc set {293}
OMP: pid 294464 tid 294464 thread 0 bound to OS proc set {358}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 294455 tid 294455 thread 0 bound to OS proc set {60}
OMP: pid 294407 tid 294407 thread 0 bound to OS proc set {185}
OMP: pid 294376 tid 294376 thread 0 bound to OS proc set {328}
OMP: pid 294424 tid 294424 thread 0 bound to OS proc set {368}
OMP: pid 294417 tid 294417 thread 0 bound to OS proc set {125}
OMP: pid 294402 tid 294402 thread 0 bound to OS proc set {35}
OMP: pid 294389 tid 294389 thread 0 bound to OS proc set {338}
OMP: pid 294398 tid 294398 thread 0 bound to OS proc set {45}
OMP: pid 294467 tid 294467 thread 0 bound to OS proc set {120}
OMP: pid 294397 tid 294397 thread 0 bound to OS proc set {393}
OMP: pid 294457 tid 294457 thread 0 bound to OS proc set {180}
OMP: pid 294409 tid 294409 thread 0 bound to OS proc set {55}
OMP: pid 294433 tid 294433 thread 0 bound to OS proc set {5}
OMP: pid 294375 tid 294375 thread 0 bound to OS proc set {160}
OMP: pid 294461 tid 294461 thread 0 bound to OS proc set {20}
OMP: pid 294459 tid 294459 thread 0 bound to OS proc set {15}
OMP: pid 294449 tid 294449 thread 0 bound to OS proc set {423}
OMP: pid 294452 tid 294452 thread 0 bound to OS proc set {225}
OMP: pid 294443 tid 294443 thread 0 bound to OS proc set {135}
OMP: pid 294429 tid 294429 thread 0 bound to OS proc set {110}
OMP: pid 294468 tid 294468 thread 0 bound to OS proc set {313}
OMP: pid 294454 tid 294454 thread 0 bound to OS proc set {353}
OMP: pid 294374 tid 294374 thread 0 bound to OS proc set {170}
OMP: pid 294446 tid 294446 thread 0 bound to OS proc set {40}
OMP: pid 294442 tid 294442 thread 0 bound to OS proc set {145}
OMP: pid 294426 tid 294426 thread 0 bound to OS proc set {483}
OMP: pid 294421 tid 294421 thread 0 bound to OS proc set {343}
OMP: pid 294377 tid 294377 thread 0 bound to OS proc set {283}
OMP: pid 294383 tid 294383 thread 0 bound to OS proc set {25}
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 = 0.027 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 2885 | 2973 | 3054 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.84958 on 96 procs for 10 steps with 32768000 atoms
Performance: 2.336 ns/day, 10.275 hours/ns, 5.407 timesteps/s, 177.165 Matom-step/s
71.3% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.2035 | 1.2708 | 1.3485 | 3.3 | 68.71
Neigh | 0.089121 | 0.10459 | 0.12653 | 3.8 | 5.65
Comm | 0.23515 | 0.31465 | 0.4063 | 8.1 | 17.01
Output | 0.0080002 | 0.0090947 | 0.01245 | 0.9 | 0.49
Modify | 0.05633 | 0.082568 | 0.10818 | 3.5 | 4.46
Other | | 0.06786 | | | 3.67
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 1.2809e+07 min
Histogram: 16 16 17 13 2 0 4 11 2 15
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 2885 | 2973 | 3055 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.824
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84599 -1.1257917e+08 0 -1.0919981e+08 51536.933
500 797.72449 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68252 -1.1257846e+08 0 -1.091998e+08 51545.152
Loop time of 63.8489 on 96 procs for 500 steps with 32768000 atoms
Performance: 3.383 ns/day, 7.094 hours/ns, 7.831 timesteps/s, 256.606 Matom-step/s
99.2% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 45.164 | 45.571 | 47.624 | 5.4 | 71.37
Neigh | 5.1074 | 5.2967 | 5.4294 | 2.9 | 8.30
Comm | 6.5646 | 7.6946 | 8.6484 | 18.5 | 12.05
Output | 0.023107 | 0.043057 | 0.075118 | 6.3 | 0.07
Modify | 2.655 | 3.8519 | 4.4199 | 24.7 | 6.03
Other | | 1.391 | | | 2.18
Nlocal: 341333 ave 342794 max 340344 min
Histogram: 13 20 22 9 0 0 3 6 15 8
Nghost: 87081.4 ave 88642 max 84850 min
Histogram: 16 13 3 0 0 0 4 18 29 13
Neighs: 1.28843e+07 ave 1.29513e+07 max 1.28331e+07 min
Histogram: 8 12 18 18 8 2 7 11 6 6
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747091
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:06
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/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_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_1 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 120 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 296601 isix02.benchmarkcenter.megware.com {0,1,256,257}
[0] MPI startup(): 1 296665 isix02.benchmarkcenter.megware.com {2,3,258,259}
[0] MPI startup(): 2 296563 isix02.benchmarkcenter.megware.com {4,5,260,261}
[0] MPI startup(): 3 296635 isix02.benchmarkcenter.megware.com {6,7,262,263}
[0] MPI startup(): 4 296555 isix02.benchmarkcenter.megware.com {8,9,264,265}
[0] MPI startup(): 5 296663 isix02.benchmarkcenter.megware.com {10,11,266,267}
[0] MPI startup(): 6 296661 isix02.benchmarkcenter.megware.com {12,13,268,269}
[0] MPI startup(): 7 296580 isix02.benchmarkcenter.megware.com {14,15,270,271}
[0] MPI startup(): 8 296647 isix02.benchmarkcenter.megware.com {16,17,272,273}
[0] MPI startup(): 9 296644 isix02.benchmarkcenter.megware.com {18,19,274,275}
[0] MPI startup(): 10 296595 isix02.benchmarkcenter.megware.com {20,21,276,277}
[0] MPI startup(): 11 296577 isix02.benchmarkcenter.megware.com {22,23,278,279}
[0] MPI startup(): 12 296639 isix02.benchmarkcenter.megware.com {24,25,280,281}
[0] MPI startup(): 13 296642 isix02.benchmarkcenter.megware.com {26,27,282,283}
[0] MPI startup(): 14 296659 isix02.benchmarkcenter.megware.com {28,29,284,285}
[0] MPI startup(): 15 296576 isix02.benchmarkcenter.megware.com {30,31,286,287}
[0] MPI startup(): 16 296633 isix02.benchmarkcenter.megware.com {32,33,288,289}
[0] MPI startup(): 17 296571 isix02.benchmarkcenter.megware.com {34,35,290,291}
[0] MPI startup(): 18 296609 isix02.benchmarkcenter.megware.com {36,37,292,293}
[0] MPI startup(): 19 296566 isix02.benchmarkcenter.megware.com {38,39,294,295}
[0] MPI startup(): 20 296604 isix02.benchmarkcenter.megware.com {40,41,296,297}
[0] MPI startup(): 21 296607 isix02.benchmarkcenter.megware.com {42,43,298,299}
[0] MPI startup(): 22 296648 isix02.benchmarkcenter.megware.com {44,45,300,301}
[0] MPI startup(): 23 296603 isix02.benchmarkcenter.megware.com {46,47,302,303}
[0] MPI startup(): 24 296676 isix02.benchmarkcenter.megware.com {48,49,304,305}
[0] MPI startup(): 25 296649 isix02.benchmarkcenter.megware.com {50,51,306,307}
[0] MPI startup(): 26 296637 isix02.benchmarkcenter.megware.com {52,53,308,309}
[0] MPI startup(): 27 296575 isix02.benchmarkcenter.megware.com {54,55,310,311}
[0] MPI startup(): 28 296572 isix02.benchmarkcenter.megware.com {56,57,312,313}
[0] MPI startup(): 29 296579 isix02.benchmarkcenter.megware.com {58,59,314,315}
[0] MPI startup(): 30 296632 isix02.benchmarkcenter.megware.com {60,61,316,317}
[0] MPI startup(): 31 296556 isix02.benchmarkcenter.megware.com {62,63,318,319}
[0] MPI startup(): 32 296557 isix02.benchmarkcenter.megware.com {64,65,320,321}
[0] MPI startup(): 33 296656 isix02.benchmarkcenter.megware.com {66,67,322,323}
[0] MPI startup(): 34 296583 isix02.benchmarkcenter.megware.com {68,69,324,325}
[0] MPI startup(): 35 296588 isix02.benchmarkcenter.megware.com {70,71,326,327}
[0] MPI startup(): 36 296562 isix02.benchmarkcenter.megware.com {72,73,328,329}
[0] MPI startup(): 37 296643 isix02.benchmarkcenter.megware.com {74,75,330,331}
[0] MPI startup(): 38 296582 isix02.benchmarkcenter.megware.com {76,77,332,333}
[0] MPI startup(): 39 296677 isix02.benchmarkcenter.megware.com {78,79,334,335}
[0] MPI startup(): 40 296618 isix02.benchmarkcenter.megware.com {80,81,336,337}
[0] MPI startup(): 41 296664 isix02.benchmarkcenter.megware.com {82,83,338,339}
[0] MPI startup(): 42 296578 isix02.benchmarkcenter.megware.com {84,85,340,341}
[0] MPI startup(): 43 296592 isix02.benchmarkcenter.megware.com {86,87,342,343}
[0] MPI startup(): 44 296621 isix02.benchmarkcenter.megware.com {88,89,344,345}
[0] MPI startup(): 45 296574 isix02.benchmarkcenter.megware.com {90,91,346,347}
[0] MPI startup(): 46 296594 isix02.benchmarkcenter.megware.com {92,93,348,349}
[0] MPI startup(): 47 296658 isix02.benchmarkcenter.megware.com {94,95,350,351}
[0] MPI startup(): 48 296673 isix02.benchmarkcenter.megware.com {96,97,352,353}
[0] MPI startup(): 49 296617 isix02.benchmarkcenter.megware.com {98,99,354,355}
[0] MPI startup(): 50 296560 isix02.benchmarkcenter.megware.com {100,101,356,357}
[0] MPI startup(): 51 296622 isix02.benchmarkcenter.megware.com {102,103,358,359}
[0] MPI startup(): 52 296567 isix02.benchmarkcenter.megware.com {104,105,360,361}
[0] MPI startup(): 53 296652 isix02.benchmarkcenter.megware.com {106,107,362,363}
[0] MPI startup(): 54 296672 isix02.benchmarkcenter.megware.com {108,109,364,365}
[0] MPI startup(): 55 296591 isix02.benchmarkcenter.megware.com {110,111,366,367}
[0] MPI startup(): 56 296653 isix02.benchmarkcenter.megware.com {112,113,368,369}
[0] MPI startup(): 57 296669 isix02.benchmarkcenter.megware.com {114,115,370,371}
[0] MPI startup(): 58 296596 isix02.benchmarkcenter.megware.com {116,117,372,373}
[0] MPI startup(): 59 296610 isix02.benchmarkcenter.megware.com {118,119,374,375}
[0] MPI startup(): 60 296619 isix02.benchmarkcenter.megware.com {120,121,376,377}
[0] MPI startup(): 61 296565 isix02.benchmarkcenter.megware.com {122,123,378,379}
[0] MPI startup(): 62 296674 isix02.benchmarkcenter.megware.com {124,125,380,381}
[0] MPI startup(): 63 296675 isix02.benchmarkcenter.megware.com {126,127,382,383}
[0] MPI startup(): 64 296573 isix02.benchmarkcenter.megware.com {128,129,384,385}
[0] MPI startup(): 65 296606 isix02.benchmarkcenter.megware.com {130,131,386,387}
[0] MPI startup(): 66 296646 isix02.benchmarkcenter.megware.com {132,133,388,389}
[0] MPI startup(): 67 296559 isix02.benchmarkcenter.megware.com {134,135,390,391}
[0] MPI startup(): 68 296585 isix02.benchmarkcenter.megware.com {136,137,392,393}
[0] MPI startup(): 69 296626 isix02.benchmarkcenter.megware.com {138,139,394,395}
[0] MPI startup(): 70 296625 isix02.benchmarkcenter.megware.com {140,141,396,397}
[0] MPI startup(): 71 296602 isix02.benchmarkcenter.megware.com {142,143,398,399}
[0] MPI startup(): 72 296605 isix02.benchmarkcenter.megware.com {144,145,400,401}
[0] MPI startup(): 73 296651 isix02.benchmarkcenter.megware.com {146,147,402,403}
[0] MPI startup(): 74 296670 isix02.benchmarkcenter.megware.com {148,149,404,405}
[0] MPI startup(): 75 296616 isix02.benchmarkcenter.megware.com {150,151,406,407}
[0] MPI startup(): 76 296645 isix02.benchmarkcenter.megware.com {152,153,408,409}
[0] MPI startup(): 77 296600 isix02.benchmarkcenter.megware.com {154,155,410,411}
[0] MPI startup(): 78 296581 isix02.benchmarkcenter.megware.com {156,157,412,413}
[0] MPI startup(): 79 296668 isix02.benchmarkcenter.megware.com {158,159,414,415}
[0] MPI startup(): 80 296630 isix02.benchmarkcenter.megware.com {160,161,416,417}
[0] MPI startup(): 81 296671 isix02.benchmarkcenter.megware.com {162,163,418,419}
[0] MPI startup(): 82 296640 isix02.benchmarkcenter.megware.com {164,165,420,421}
[0] MPI startup(): 83 296586 isix02.benchmarkcenter.megware.com {166,167,422,423}
[0] MPI startup(): 84 296634 isix02.benchmarkcenter.megware.com {168,169,424,425}
[0] MPI startup(): 85 296641 isix02.benchmarkcenter.megware.com {170,171,426,427}
[0] MPI startup(): 86 296654 isix02.benchmarkcenter.megware.com {172,173,428,429}
[0] MPI startup(): 87 296624 isix02.benchmarkcenter.megware.com {174,175,430,431}
[0] MPI startup(): 88 296629 isix02.benchmarkcenter.megware.com {176,177,432,433}
[0] MPI startup(): 89 296558 isix02.benchmarkcenter.megware.com {178,179,434,435}
[0] MPI startup(): 90 296590 isix02.benchmarkcenter.megware.com {180,181,436,437}
[0] MPI startup(): 91 296667 isix02.benchmarkcenter.megware.com {182,183,438,439}
[0] MPI startup(): 92 296636 isix02.benchmarkcenter.megware.com {184,185,440,441}
[0] MPI startup(): 93 296564 isix02.benchmarkcenter.megware.com {186,187,442,443}
[0] MPI startup(): 94 296657 isix02.benchmarkcenter.megware.com {188,189,444,445}
[0] MPI startup(): 95 296589 isix02.benchmarkcenter.megware.com {190,191,446,447}
[0] MPI startup(): 96 296561 isix02.benchmarkcenter.megware.com {192,193,448,449}
[0] MPI startup(): 97 296584 isix02.benchmarkcenter.megware.com {194,195,450,451}
[0] MPI startup(): 98 296598 isix02.benchmarkcenter.megware.com {196,197,452,453}
[0] MPI startup(): 99 296662 isix02.benchmarkcenter.megware.com {198,199,454,455}
[0] MPI startup(): 100 296655 isix02.benchmarkcenter.megware.com {200,201,456,457}
[0] MPI startup(): 101 296587 isix02.benchmarkcenter.megware.com {202,203,458,459}
[0] MPI startup(): 102 296569 isix02.benchmarkcenter.megware.com {204,205,460,461}
[0] MPI startup(): 103 296613 isix02.benchmarkcenter.megware.com {206,207,462,463}
[0] MPI startup(): 104 296666 isix02.benchmarkcenter.megware.com {208,209,464,465}
[0] MPI startup(): 105 296615 isix02.benchmarkcenter.megware.com {210,211,466,467}
[0] MPI startup(): 106 296608 isix02.benchmarkcenter.megware.com {212,213,468,469}
[0] MPI startup(): 107 296570 isix02.benchmarkcenter.megware.com {214,215,470,471}
[0] MPI startup(): 108 296628 isix02.benchmarkcenter.megware.com {216,217,472,473}
[0] MPI startup(): 109 296620 isix02.benchmarkcenter.megware.com {218,219,474,475}
[0] MPI startup(): 110 296627 isix02.benchmarkcenter.megware.com {220,221,476,477}
[0] MPI startup(): 111 296568 isix02.benchmarkcenter.megware.com {222,223,478,479}
[0] MPI startup(): 112 296623 isix02.benchmarkcenter.megware.com {224,225,480,481}
[0] MPI startup(): 113 296614 isix02.benchmarkcenter.megware.com {226,227,482,483}
[0] MPI startup(): 114 296593 isix02.benchmarkcenter.megware.com {228,229,484,485}
[0] MPI startup(): 115 296650 isix02.benchmarkcenter.megware.com {230,231,486,487}
[0] MPI startup(): 116 296612 isix02.benchmarkcenter.megware.com {232,233,488,489}
[0] MPI startup(): 117 296631 isix02.benchmarkcenter.megware.com {234,235,490,491}
[0] MPI startup(): 118 296638 isix02.benchmarkcenter.megware.com {236,237,492,493}
[0] MPI startup(): 119 296597 isix02.benchmarkcenter.megware.com {238,239,494,495}
OMP: pid 296568 tid 296568 thread 0 bound to OS proc set {222}
OMP: pid 296575 tid 296575 thread 0 bound to OS proc set {54}
OMP: pid 296598 tid 296598 thread 0 bound to OS proc set {196}
OMP: pid 296601 tid 296601 thread 0 bound to OS proc set {0}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 296600 tid 296600 thread 0 bound to OS proc set {154}
OMP: pid 296634 tid 296634 thread 0 bound to OS proc set {168}
OMP: pid 296606 tid 296606 thread 0 bound to OS proc set {130}
OMP: pid 296664 tid 296664 thread 0 bound to OS proc set {82}
OMP: pid 296667 tid 296667 thread 0 bound to OS proc set {182}
OMP: pid 296662 tid 296662 thread 0 bound to OS proc set {198}
OMP: pid 296558 tid 296558 thread 0 bound to OS proc set {178}
OMP: pid 296573 tid 296573 thread 0 bound to OS proc set {128}
OMP: pid 296670 tid 296670 thread 0 bound to OS proc set {148}
OMP: pid 296620 tid 296620 thread 0 bound to OS proc set {218}
OMP: pid 296673 tid 296673 thread 0 bound to OS proc set {96}
OMP: pid 296631 tid 296631 thread 0 bound to OS proc set {234}
OMP: pid 296618 tid 296618 thread 0 bound to OS proc set {80}
OMP: pid 296574 tid 296574 thread 0 bound to OS proc set {90}
OMP: pid 296586 tid 296586 thread 0 bound to OS proc set {166}
OMP: pid 296582 tid 296582 thread 0 bound to OS proc set {76}
OMP: pid 296557 tid 296557 thread 0 bound to OS proc set {64}
OMP: pid 296555 tid 296555 thread 0 bound to OS proc set {8}
OMP: pid 296608 tid 296608 thread 0 bound to OS proc set {212}
OMP: pid 296613 tid 296613 thread 0 bound to OS proc set {206}
OMP: pid 296565 tid 296565 thread 0 bound to OS proc set {122}
OMP: pid 296614 tid 296614 thread 0 bound to OS proc set {226}
OMP: pid 296592 tid 296592 thread 0 bound to OS proc set {86}
OMP: pid 296641 tid 296641 thread 0 bound to OS proc set {170}
OMP: pid 296584 tid 296584 thread 0 bound to OS proc set {194}
OMP: pid 296647 tid 296647 thread 0 bound to OS proc set {16}
OMP: pid 296649 tid 296649 thread 0 bound to OS proc set {50}
OMP: pid 296579 tid 296579 thread 0 bound to OS proc set {58}
OMP: pid 296560 tid 296560 thread 0 bound to OS proc set {100}
OMP: pid 296638 tid 296638 thread 0 bound to OS proc set {236}
OMP: pid 296593 tid 296593 thread 0 bound to OS proc set {228}
OMP: pid 296637 tid 296637 thread 0 bound to OS proc set {52}
OMP: pid 296589 tid 296589 thread 0 bound to OS proc set {190}
OMP: pid 296559 tid 296559 thread 0 bound to OS proc set {134}
OMP: pid 296636 tid 296636 thread 0 bound to OS proc set {184}
OMP: pid 296659 tid 296659 thread 0 bound to OS proc set {28}
OMP: pid 296652 tid 296652 thread 0 bound to OS proc set {106}
OMP: pid 296572 tid 296572 thread 0 bound to OS proc set {56}
OMP: pid 296629 tid 296629 thread 0 bound to OS proc set {176}
OMP: pid 296561 tid 296561 thread 0 bound to OS proc set {192}
OMP: pid 296623 tid 296623 thread 0 bound to OS proc set {224}
OMP: pid 296581 tid 296581 thread 0 bound to OS proc set {156}
OMP: pid 296633 tid 296633 thread 0 bound to OS proc set {32}
OMP: pid 296658 tid 296658 thread 0 bound to OS proc set {94}
OMP: pid 296564 tid 296564 thread 0 bound to OS proc set {186}
OMP: pid 296669 tid 296669 thread 0 bound to OS proc set {114}
OMP: pid 296604 tid 296604 thread 0 bound to OS proc set {40}
OMP: pid 296635 tid 296635 thread 0 bound to OS proc set {6}
OMP: pid 296625 tid 296625 thread 0 bound to OS proc set {140}
OMP: pid 296610 tid 296610 thread 0 bound to OS proc set {118}
OMP: pid 296587 tid 296587 thread 0 bound to OS proc set {202}
OMP: pid 296671 tid 296671 thread 0 bound to OS proc set {162}
OMP: pid 296591 tid 296591 thread 0 bound to OS proc set {110}
OMP: pid 296661 tid 296661 thread 0 bound to OS proc set {12}
OMP: pid 296650 tid 296650 thread 0 bound to OS proc set {230}
OMP: pid 296665 tid 296665 thread 0 bound to OS proc set {2}
OMP: pid 296585 tid 296585 thread 0 bound to OS proc set {136}
OMP: pid 296648 tid 296648 thread 0 bound to OS proc set {44}
OMP: pid 296596 tid 296596 thread 0 bound to OS proc set {116}
OMP: pid 296616 tid 296616 thread 0 bound to OS proc set {150}
OMP: pid 296624 tid 296624 thread 0 bound to OS proc set {174}
OMP: pid 296628 tid 296628 thread 0 bound to OS proc set {216}
OMP: pid 296594 tid 296594 thread 0 bound to OS proc set {92}
OMP: pid 296590 tid 296590 thread 0 bound to OS proc set {180}
OMP: pid 296646 tid 296646 thread 0 bound to OS proc set {132}
OMP: pid 296602 tid 296602 thread 0 bound to OS proc set {142}
OMP: pid 296645 tid 296645 thread 0 bound to OS proc set {152}
OMP: pid 296657 tid 296657 thread 0 bound to OS proc set {188}
OMP: pid 296643 tid 296643 thread 0 bound to OS proc set {74}
OMP: pid 296577 tid 296577 thread 0 bound to OS proc set {22}
OMP: pid 296666 tid 296666 thread 0 bound to OS proc set {208}
OMP: pid 296656 tid 296656 thread 0 bound to OS proc set {66}
OMP: pid 296609 tid 296609 thread 0 bound to OS proc set {36}
OMP: pid 296607 tid 296607 thread 0 bound to OS proc set {42}
OMP: pid 296570 tid 296570 thread 0 bound to OS proc set {214}
OMP: pid 296612 tid 296612 thread 0 bound to OS proc set {232}
OMP: pid 296617 tid 296617 thread 0 bound to OS proc set {98}
OMP: pid 296627 tid 296627 thread 0 bound to OS proc set {220}
OMP: pid 296654 tid 296654 thread 0 bound to OS proc set {172}
OMP: pid 296630 tid 296630 thread 0 bound to OS proc set {160}
OMP: pid 296632 tid 296632 thread 0 bound to OS proc set {60}
OMP: pid 296597 tid 296597 thread 0 bound to OS proc set {238}
OMP: pid 296569 tid 296569 thread 0 bound to OS proc set {204}
OMP: pid 296668 tid 296668 thread 0 bound to OS proc set {158}
OMP: pid 296563 tid 296563 thread 0 bound to OS proc set {4}
OMP: pid 296619 tid 296619 thread 0 bound to OS proc set {120}
OMP: pid 296675 tid 296675 thread 0 bound to OS proc set {126}
OMP: pid 296676 tid 296676 thread 0 bound to OS proc set {48}
OMP: pid 296655 tid 296655 thread 0 bound to OS proc set {200}
OMP: pid 296640 tid 296640 thread 0 bound to OS proc set {164}
OMP: pid 296615 tid 296615 thread 0 bound to OS proc set {210}
OMP: pid 296567 tid 296567 thread 0 bound to OS proc set {104}
OMP: pid 296642 tid 296642 thread 0 bound to OS proc set {26}
OMP: pid 296562 tid 296562 thread 0 bound to OS proc set {72}
OMP: pid 296653 tid 296653 thread 0 bound to OS proc set {112}
OMP: pid 296639 tid 296639 thread 0 bound to OS proc set {24}
OMP: pid 296603 tid 296603 thread 0 bound to OS proc set {46}
OMP: pid 296626 tid 296626 thread 0 bound to OS proc set {138}
OMP: pid 296651 tid 296651 thread 0 bound to OS proc set {146}
OMP: pid 296583 tid 296583 thread 0 bound to OS proc set {68}
OMP: pid 296677 tid 296677 thread 0 bound to OS proc set {78}
OMP: pid 296588 tid 296588 thread 0 bound to OS proc set {70}
OMP: pid 296578 tid 296578 thread 0 bound to OS proc set {84}
OMP: pid 296663 tid 296663 thread 0 bound to OS proc set {10}
OMP: pid 296644 tid 296644 thread 0 bound to OS proc set {18}
OMP: pid 296595 tid 296595 thread 0 bound to OS proc set {20}
OMP: pid 296571 tid 296571 thread 0 bound to OS proc set {34}
OMP: pid 296605 tid 296605 thread 0 bound to OS proc set {144}
OMP: pid 296622 tid 296622 thread 0 bound to OS proc set {102}
OMP: pid 296674 tid 296674 thread 0 bound to OS proc set {124}
OMP: pid 296580 tid 296580 thread 0 bound to OS proc set {14}
OMP: pid 296566 tid 296566 thread 0 bound to OS proc set {38}
OMP: pid 296556 tid 296556 thread 0 bound to OS proc set {62}
OMP: pid 296621 tid 296621 thread 0 bound to OS proc set {88}
OMP: pid 296672 tid 296672 thread 0 bound to OS proc set {108}
OMP: pid 296576 tid 296576 thread 0 bound to OS proc set {30}
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 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 = 0.025 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 2302 | 2381 | 2453 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 2.02808 on 120 procs for 10 steps with 32768000 atoms
Performance: 2.130 ns/day, 11.267 hours/ns, 4.931 timesteps/s, 161.572 Matom-step/s
61.2% CPU use with 120 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.2266 | 1.3591 | 1.4807 | 5.5 | 67.01
Neigh | 0.097594 | 0.11767 | 0.13295 | 3.3 | 5.80
Comm | 0.24349 | 0.36539 | 0.49961 | 11.0 | 18.02
Output | 0.011531 | 0.014357 | 0.018383 | 1.3 | 0.71
Modify | 0.064461 | 0.093 | 0.11654 | 3.1 | 4.59
Other | | 0.07857 | | | 3.87
Nlocal: 273067 ave 274057 max 272483 min
Histogram: 38 42 0 0 0 0 0 0 13 27
Nghost: 76628 ave 77555 max 74944 min
Histogram: 38 2 0 0 0 0 0 0 5 75
Neighs: 1.02787e+07 ave 1.03384e+07 max 1.02326e+07 min
Histogram: 16 6 24 16 11 15 7 12 5 8
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 2303 | 2381 | 2453 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.824
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84599 -1.1257917e+08 0 -1.0919981e+08 51536.933
500 797.72449 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68252 -1.1257846e+08 0 -1.091998e+08 51545.152
Loop time of 55.4359 on 120 procs for 500 steps with 32768000 atoms
Performance: 3.896 ns/day, 6.160 hours/ns, 9.019 timesteps/s, 295.548 Matom-step/s
99.1% CPU use with 120 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 37.584 | 38.549 | 41.265 | 13.5 | 69.54
Neigh | 4.0782 | 4.3986 | 4.9265 | 8.9 | 7.93
Comm | 5.3427 | 7.6542 | 9.8745 | 44.4 | 13.81
Output | 0.022193 | 0.04755 | 0.076657 | 7.0 | 0.09
Modify | 2.354 | 3.5504 | 4.2996 | 28.2 | 6.40
Other | | 1.236 | | | 2.23
Nlocal: 273067 ave 274300 max 272243 min
Histogram: 16 27 24 10 3 2 4 8 17 9
Nghost: 76557.5 ave 77905 max 74701 min
Histogram: 21 13 6 0 0 1 9 26 30 14
Neighs: 1.03075e+07 ave 1.03724e+07 max 1.02483e+07 min
Histogram: 2 12 20 19 13 20 9 12 7 6
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747091
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:58
[MAQAO] Info: 49/120 lprof instances finished
[MAQAO] Info: 50/120 lprof instances finished
[MAQAO] Info: 56/120 lprof instances finished
[MAQAO] Info: 66/120 lprof instances finished
[MAQAO] Info: 72/120 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/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_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_2 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 126 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 299617 isix02.benchmarkcenter.megware.com {0,1,256,257}
[0] MPI startup(): 1 299533 isix02.benchmarkcenter.megware.com {2,3,258,259}
[0] MPI startup(): 2 299619 isix02.benchmarkcenter.megware.com {4,5,260,261}
[0] MPI startup(): 3 299648 isix02.benchmarkcenter.megware.com {6,7,262,263}
[0] MPI startup(): 4 299631 isix02.benchmarkcenter.megware.com {8,9,264,265}
[0] MPI startup(): 5 299572 isix02.benchmarkcenter.megware.com {10,11,266,267}
[0] MPI startup(): 6 299541 isix02.benchmarkcenter.megware.com {12,13,268,269}
[0] MPI startup(): 7 299577 isix02.benchmarkcenter.megware.com {14,15,270,271}
[0] MPI startup(): 8 299528 isix02.benchmarkcenter.megware.com {16,17,272,273}
[0] MPI startup(): 9 299637 isix02.benchmarkcenter.megware.com {18,19,274,275}
[0] MPI startup(): 10 299652 isix02.benchmarkcenter.megware.com {20,21,276,277}
[0] MPI startup(): 11 299640 isix02.benchmarkcenter.megware.com {22,23,278,279}
[0] MPI startup(): 12 299620 isix02.benchmarkcenter.megware.com {24,25,280,281}
[0] MPI startup(): 13 299578 isix02.benchmarkcenter.megware.com {26,27,282,283}
[0] MPI startup(): 14 299622 isix02.benchmarkcenter.megware.com {28,29,284,285}
[0] MPI startup(): 15 299567 isix02.benchmarkcenter.megware.com {30,31,286,287}
[0] MPI startup(): 16 299621 isix02.benchmarkcenter.megware.com {32,33,288,289}
[0] MPI startup(): 17 299569 isix02.benchmarkcenter.megware.com {34,35,290,291}
[0] MPI startup(): 18 299537 isix02.benchmarkcenter.megware.com {36,37,292,293}
[0] MPI startup(): 19 299618 isix02.benchmarkcenter.megware.com {38,39,294,295}
[0] MPI startup(): 20 299638 isix02.benchmarkcenter.megware.com {40,41,296,297}
[0] MPI startup(): 21 299623 isix02.benchmarkcenter.megware.com {42,43,298,299}
[0] MPI startup(): 22 299538 isix02.benchmarkcenter.megware.com {44,45,300,301}
[0] MPI startup(): 23 299629 isix02.benchmarkcenter.megware.com {46,47,302,303}
[0] MPI startup(): 24 299589 isix02.benchmarkcenter.megware.com {48,49,304,305}
[0] MPI startup(): 25 299526 isix02.benchmarkcenter.megware.com {50,51,306,307}
[0] MPI startup(): 26 299545 isix02.benchmarkcenter.megware.com {52,53,308,309}
[0] MPI startup(): 27 299628 isix02.benchmarkcenter.megware.com {54,55,310,311}
[0] MPI startup(): 28 299576 isix02.benchmarkcenter.megware.com {56,57,312,313}
[0] MPI startup(): 29 299616 isix02.benchmarkcenter.megware.com {58,59,314,315}
[0] MPI startup(): 30 299600 isix02.benchmarkcenter.megware.com {60,61,316,317}
[0] MPI startup(): 31 299586 isix02.benchmarkcenter.megware.com {62,63,318,319}
[0] MPI startup(): 32 299531 isix02.benchmarkcenter.megware.com {64,65,320,321}
[0] MPI startup(): 33 299634 isix02.benchmarkcenter.megware.com {66,67,322,323}
[0] MPI startup(): 34 299546 isix02.benchmarkcenter.megware.com {68,69,324,325}
[0] MPI startup(): 35 299646 isix02.benchmarkcenter.megware.com {70,71,326,327}
[0] MPI startup(): 36 299542 isix02.benchmarkcenter.megware.com {72,73,328,329}
[0] MPI startup(): 37 299582 isix02.benchmarkcenter.megware.com {74,75,330,331}
[0] MPI startup(): 38 299632 isix02.benchmarkcenter.megware.com {76,77,332,333}
[0] MPI startup(): 39 299539 isix02.benchmarkcenter.megware.com {78,79,334,335}
[0] MPI startup(): 40 299633 isix02.benchmarkcenter.megware.com {80,81,336,337}
[0] MPI startup(): 41 299544 isix02.benchmarkcenter.megware.com {82,83,338,339}
[0] MPI startup(): 42 299635 isix02.benchmarkcenter.megware.com {84,85,340,341}
[0] MPI startup(): 43 299636 isix02.benchmarkcenter.megware.com {86,87,342,343}
[0] MPI startup(): 44 299552 isix02.benchmarkcenter.megware.com {88,89,344,345}
[0] MPI startup(): 45 299650 isix02.benchmarkcenter.megware.com {90,91,346,347}
[0] MPI startup(): 46 299597 isix02.benchmarkcenter.megware.com {92,93,348,349}
[0] MPI startup(): 47 299548 isix02.benchmarkcenter.megware.com {94,95,350,351}
[0] MPI startup(): 48 299550 isix02.benchmarkcenter.megware.com {96,97,352,353}
[0] MPI startup(): 49 299573 isix02.benchmarkcenter.megware.com {98,99,354,355}
[0] MPI startup(): 50 299615 isix02.benchmarkcenter.megware.com {100,101,356,357}
[0] MPI startup(): 51 299607 isix02.benchmarkcenter.megware.com {102,103,358,359}
[0] MPI startup(): 52 299530 isix02.benchmarkcenter.megware.com {104,105,360,361}
[0] MPI startup(): 53 299588 isix02.benchmarkcenter.megware.com {106,107,362,363}
[0] MPI startup(): 54 299606 isix02.benchmarkcenter.megware.com {108,109,364,365}
[0] MPI startup(): 55 299626 isix02.benchmarkcenter.megware.com {110,111,366,367}
[0] MPI startup(): 56 299549 isix02.benchmarkcenter.megware.com {112,113,368,369}
[0] MPI startup(): 57 299605 isix02.benchmarkcenter.megware.com {114,115,370,371}
[0] MPI startup(): 58 299553 isix02.benchmarkcenter.megware.com {116,117,372,373}
[0] MPI startup(): 59 299551 isix02.benchmarkcenter.megware.com {118,119,374,375}
[0] MPI startup(): 60 299543 isix02.benchmarkcenter.megware.com {120,121,376,377}
[0] MPI startup(): 61 299574 isix02.benchmarkcenter.megware.com {122,123,378,379}
[0] MPI startup(): 62 299651 isix02.benchmarkcenter.megware.com {124,125,380,381}
[0] MPI startup(): 63 299639 isix02.benchmarkcenter.megware.com {126,127,382,383}
[0] MPI startup(): 64 299566 isix02.benchmarkcenter.megware.com {128,129,384,385}
[0] MPI startup(): 65 299604 isix02.benchmarkcenter.megware.com {130,131,386,387}
[0] MPI startup(): 66 299536 isix02.benchmarkcenter.megware.com {132,133,388,389}
[0] MPI startup(): 67 299581 isix02.benchmarkcenter.megware.com {134,135,390,391}
[0] MPI startup(): 68 299565 isix02.benchmarkcenter.megware.com {136,137,392,393}
[0] MPI startup(): 69 299649 isix02.benchmarkcenter.megware.com {138,139,394,395}
[0] MPI startup(): 70 299643 isix02.benchmarkcenter.megware.com {140,141,396,397}
[0] MPI startup(): 71 299625 isix02.benchmarkcenter.megware.com {142,143,398,399}
[0] MPI startup(): 72 299603 isix02.benchmarkcenter.megware.com {144,145,400,401}
[0] MPI startup(): 73 299532 isix02.benchmarkcenter.megware.com {146,147,402,403}
[0] MPI startup(): 74 299587 isix02.benchmarkcenter.megware.com {148,149,404,405}
[0] MPI startup(): 75 299564 isix02.benchmarkcenter.megware.com {150,151,406,407}
[0] MPI startup(): 76 299571 isix02.benchmarkcenter.megware.com {152,153,408,409}
[0] MPI startup(): 77 299644 isix02.benchmarkcenter.megware.com {154,155,410,411}
[0] MPI startup(): 78 299612 isix02.benchmarkcenter.megware.com {156,157,412,413}
[0] MPI startup(): 79 299645 isix02.benchmarkcenter.megware.com {158,159,414,415}
[0] MPI startup(): 80 299602 isix02.benchmarkcenter.megware.com {160,161,416,417}
[0] MPI startup(): 81 299594 isix02.benchmarkcenter.megware.com {162,163,418,419}
[0] MPI startup(): 82 299570 isix02.benchmarkcenter.megware.com {164,165,420,421}
[0] MPI startup(): 83 299601 isix02.benchmarkcenter.megware.com {166,167,422,423}
[0] MPI startup(): 84 299630 isix02.benchmarkcenter.megware.com {168,169,424,425}
[0] MPI startup(): 85 299613 isix02.benchmarkcenter.megware.com {170,171,426,427}
[0] MPI startup(): 86 299527 isix02.benchmarkcenter.megware.com {172,173,428,429}
[0] MPI startup(): 87 299555 isix02.benchmarkcenter.megware.com {174,175,430,431}
[0] MPI startup(): 88 299611 isix02.benchmarkcenter.megware.com {176,177,432,433}
[0] MPI startup(): 89 299599 isix02.benchmarkcenter.megware.com {178,179,434,435}
[0] MPI startup(): 90 299598 isix02.benchmarkcenter.megware.com {180,181,436,437}
[0] MPI startup(): 91 299584 isix02.benchmarkcenter.megware.com {182,183,438,439}
[0] MPI startup(): 92 299653 isix02.benchmarkcenter.megware.com {184,185,440,441}
[0] MPI startup(): 93 299560 isix02.benchmarkcenter.megware.com {186,187,442,443}
[0] MPI startup(): 94 299583 isix02.benchmarkcenter.megware.com {188,189,444,445}
[0] MPI startup(): 95 299647 isix02.benchmarkcenter.megware.com {190,191,446,447}
[0] MPI startup(): 96 299590 isix02.benchmarkcenter.megware.com {192,193,448,449}
[0] MPI startup(): 97 299610 isix02.benchmarkcenter.megware.com {194,195,450,451}
[0] MPI startup(): 98 299556 isix02.benchmarkcenter.megware.com {196,197,452,453}
[0] MPI startup(): 99 299642 isix02.benchmarkcenter.megware.com {198,199,454,455}
[0] MPI startup(): 100 299624 isix02.benchmarkcenter.megware.com {200,201,456,457}
[0] MPI startup(): 101 299559 isix02.benchmarkcenter.megware.com {202,203,458,459}
[0] MPI startup(): 102 299575 isix02.benchmarkcenter.megware.com {204,205,460,461}
[0] MPI startup(): 103 299547 isix02.benchmarkcenter.megware.com {206,207,462,463}
[0] MPI startup(): 104 299641 isix02.benchmarkcenter.megware.com {208,209,464,465}
[0] MPI startup(): 105 299592 isix02.benchmarkcenter.megware.com {210,211,466,467}
[0] MPI startup(): 106 299585 isix02.benchmarkcenter.megware.com {212,213,468,469}
[0] MPI startup(): 107 299580 isix02.benchmarkcenter.megware.com {214,215,470,471}
[0] MPI startup(): 108 299614 isix02.benchmarkcenter.megware.com {216,217,472,473}
[0] MPI startup(): 109 299529 isix02.benchmarkcenter.megware.com {218,219,474,475}
[0] MPI startup(): 110 299558 isix02.benchmarkcenter.megware.com {220,221,476,477}
[0] MPI startup(): 111 299557 isix02.benchmarkcenter.megware.com {222,223,478,479}
[0] MPI startup(): 112 299540 isix02.benchmarkcenter.megware.com {224,225,480,481}
[0] MPI startup(): 113 299562 isix02.benchmarkcenter.megware.com {226,227,482,483}
[0] MPI startup(): 114 299595 isix02.benchmarkcenter.megware.com {228,229,484,485}
[0] MPI startup(): 115 299609 isix02.benchmarkcenter.megware.com {230,231,486,487}
[0] MPI startup(): 116 299563 isix02.benchmarkcenter.megware.com {232,233,488,489}
[0] MPI startup(): 117 299627 isix02.benchmarkcenter.megware.com {234,235,490,491}
[0] MPI startup(): 118 299534 isix02.benchmarkcenter.megware.com {236,237,492,493}
[0] MPI startup(): 119 299596 isix02.benchmarkcenter.megware.com {238,239,494,495}
[0] MPI startup(): 120 299591 isix02.benchmarkcenter.megware.com {240,241,496,497}
[0] MPI startup(): 121 299561 isix02.benchmarkcenter.megware.com {242,243,498,499}
[0] MPI startup(): 122 299568 isix02.benchmarkcenter.megware.com {244,245,500,501}
[0] MPI startup(): 123 299554 isix02.benchmarkcenter.megware.com {246,247,502,503}
[0] MPI startup(): 124 299579 isix02.benchmarkcenter.megware.com {248,249,504,505}
[0] MPI startup(): 125 299535 isix02.benchmarkcenter.megware.com {250,251,506,507}
OMP: pid 299549 tid 299549 thread 0 bound to OS proc set {112}
OMP: pid 299538 tid 299538 thread 0 bound to OS proc set {44}
OMP: pid 299633 tid 299633 thread 0 bound to OS proc set {80}
OMP: pid 299629 tid 299629 thread 0 bound to OS proc set {46}
OMP: pid 299603 tid 299603 thread 0 bound to OS proc set {144}
OMP: pid 299625 tid 299625 thread 0 bound to OS proc set {142}
OMP: pid 299537 tid 299537 thread 0 bound to OS proc set {36}
OMP: pid 299595 tid 299595 thread 0 bound to OS proc set {228}
OMP: pid 299571 tid 299571 thread 0 bound to OS proc set {152}
OMP: pid 299597 tid 299597 thread 0 bound to OS proc set {92}
OMP: pid 299531 tid 299531 thread 0 bound to OS proc set {64}
OMP: pid 299621 tid 299621 thread 0 bound to OS proc set {32}
OMP: pid 299619 tid 299619 thread 0 bound to OS proc set {4}
OMP: pid 299607 tid 299607 thread 0 bound to OS proc set {102}
OMP: pid 299557 tid 299557 thread 0 bound to OS proc set {222}
OMP: pid 299542 tid 299542 thread 0 bound to OS proc set {72}
OMP: pid 299573 tid 299573 thread 0 bound to OS proc set {98}
OMP: pid 299546 tid 299546 thread 0 bound to OS proc set {68}
OMP: pid 299532 tid 299532 thread 0 bound to OS proc set {146}
OMP: pid 299535 tid 299535 thread 0 bound to OS proc set {250}
OMP: pid 299614 tid 299614 thread 0 bound to OS proc set {216}
OMP: pid 299649 tid 299649 thread 0 bound to OS proc set {138}
OMP: pid 299599 tid 299599 thread 0 bound to OS proc set {178}
OMP: pid 299553 tid 299553 thread 0 bound to OS proc set {116}
OMP: pid 299618 tid 299618 thread 0 bound to OS proc set {38}
OMP: pid 299628 tid 299628 thread 0 bound to OS proc set {54}
OMP: pid 299559 tid 299559 thread 0 bound to OS proc set {202}
OMP: pid 299567 tid 299567 thread 0 bound to OS proc set {30}
OMP: pid 299580 tid 299580 thread 0 bound to OS proc set {214}
OMP: pid 299585 tid 299585 thread 0 bound to OS proc set {212}
OMP: pid 299638 tid 299638 thread 0 bound to OS proc set {40}
OMP: pid 299583 tid 299583 thread 0 bound to OS proc set {188}
OMP: pid 299552 tid 299552 thread 0 bound to OS proc set {88}
OMP: pid 299526 tid 299526 thread 0 bound to OS proc set {50}
OMP: pid 299551 tid 299551 thread 0 bound to OS proc set {118}
OMP: pid 299600 tid 299600 thread 0 bound to OS proc set {60}
OMP: pid 299544 tid 299544 thread 0 bound to OS proc set {82}
OMP: pid 299602 tid 299602 thread 0 bound to OS proc set {160}
OMP: pid 299536 tid 299536 thread 0 bound to OS proc set {132}
OMP: pid 299556 tid 299556 thread 0 bound to OS proc set {196}
OMP: pid 299587 tid 299587 thread 0 bound to OS proc set {148}
OMP: pid 299627 tid 299627 thread 0 bound to OS proc set {234}
OMP: pid 299626 tid 299626 thread 0 bound to OS proc set {110}
OMP: pid 299590 tid 299590 thread 0 bound to OS proc set {192}
OMP: pid 299584 tid 299584 thread 0 bound to OS proc set {182}
OMP: pid 299565 tid 299565 thread 0 bound to OS proc set {136}
OMP: pid 299577 tid 299577 thread 0 bound to OS proc set {14}
OMP: pid 299555 tid 299555 thread 0 bound to OS proc set {174}
OMP: pid 299564 tid 299564 thread 0 bound to OS proc set {150}
OMP: pid 299630 tid 299630 thread 0 bound to OS proc set {168}
OMP: pid 299568 tid 299568 thread 0 bound to OS proc set {244}
OMP: pid 299598 tid 299598 thread 0 bound to OS proc set {180}
OMP: pid 299612 tid 299612 thread 0 bound to OS proc set {156}
OMP: pid 299539 tid 299539 thread 0 bound to OS proc set {78}
OMP: pid 299572 tid 299572 thread 0 bound to OS proc set {10}
OMP: pid 299601 tid 299601 thread 0 bound to OS proc set {166}
OMP: pid 299609 tid 299609 thread 0 bound to OS proc set {230}
OMP: pid 299615 tid 299615 thread 0 bound to OS proc set {100}
OMP: pid 299529 tid 299529 thread 0 bound to OS proc set {218}
OMP: pid 299613 tid 299613 thread 0 bound to OS proc set {170}
OMP: pid 299606 tid 299606 thread 0 bound to OS proc set {108}
OMP: pid 299528 tid 299528 thread 0 bound to OS proc set {16}
OMP: pid 299611 tid 299611 thread 0 bound to OS proc set {176}
OMP: pid 299604 tid 299604 thread 0 bound to OS proc set {130}
OMP: pid 299636 tid 299636 thread 0 bound to OS proc set {86}
OMP: pid 299558 tid 299558 thread 0 bound to OS proc set {220}
OMP: pid 299534 tid 299534 thread 0 bound to OS proc set {236}
OMP: pid 299588 tid 299588 thread 0 bound to OS proc set {106}
OMP: pid 299562 tid 299562 thread 0 bound to OS proc set {226}
OMP: pid 299578 tid 299578 thread 0 bound to OS proc set {26}
OMP: pid 299635 tid 299635 thread 0 bound to OS proc set {84}
OMP: pid 299530 tid 299530 thread 0 bound to OS proc set {104}
OMP: pid 299617 tid 299617 thread 0 bound to OS proc set {0}
OMP: pid 299569 tid 299569 thread 0 bound to OS proc set {34}
OMP: pid 299574 tid 299574 thread 0 bound to OS proc set {122}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 299605 tid 299605 thread 0 bound to OS proc set {114}
OMP: pid 299648 tid 299648 thread 0 bound to OS proc set {6}
OMP: pid 299589 tid 299589 thread 0 bound to OS proc set {48}
OMP: pid 299563 tid 299563 thread 0 bound to OS proc set {232}
OMP: pid 299622 tid 299622 thread 0 bound to OS proc set {28}
OMP: pid 299616 tid 299616 thread 0 bound to OS proc set {58}
OMP: pid 299579 tid 299579 thread 0 bound to OS proc set {248}
OMP: pid 299631 tid 299631 thread 0 bound to OS proc set {8}
OMP: pid 299641 tid 299641 thread 0 bound to OS proc set {208}
OMP: pid 299550 tid 299550 thread 0 bound to OS proc set {96}
OMP: pid 299624 tid 299624 thread 0 bound to OS proc set {200}
OMP: pid 299560 tid 299560 thread 0 bound to OS proc set {186}
OMP: pid 299566 tid 299566 thread 0 bound to OS proc set {128}
OMP: pid 299653 tid 299653 thread 0 bound to OS proc set {184}
OMP: pid 299545 tid 299545 thread 0 bound to OS proc set {52}
OMP: pid 299637 tid 299637 thread 0 bound to OS proc set {18}
OMP: pid 299620 tid 299620 thread 0 bound to OS proc set {24}
OMP: pid 299581 tid 299581 thread 0 bound to OS proc set {134}
OMP: pid 299554 tid 299554 thread 0 bound to OS proc set {246}
OMP: pid 299645 tid 299645 thread 0 bound to OS proc set {158}
OMP: pid 299592 tid 299592 thread 0 bound to OS proc set {210}
OMP: pid 299596 tid 299596 thread 0 bound to OS proc set {238}
OMP: pid 299650 tid 299650 thread 0 bound to OS proc set {90}
OMP: pid 299642 tid 299642 thread 0 bound to OS proc set {198}
OMP: pid 299561 tid 299561 thread 0 bound to OS proc set {242}
OMP: pid 299533 tid 299533 thread 0 bound to OS proc set {2}
OMP: pid 299548 tid 299548 thread 0 bound to OS proc set {94}
OMP: pid 299623 tid 299623 thread 0 bound to OS proc set {42}
OMP: pid 299586 tid 299586 thread 0 bound to OS proc set {62}
OMP: pid 299652 tid 299652 thread 0 bound to OS proc set {20}
OMP: pid 299540 tid 299540 thread 0 bound to OS proc set {224}
OMP: pid 299639 tid 299639 thread 0 bound to OS proc set {126}
OMP: pid 299570 tid 299570 thread 0 bound to OS proc set {164}
OMP: pid 299640 tid 299640 thread 0 bound to OS proc set {22}
OMP: pid 299527 tid 299527 thread 0 bound to OS proc set {172}
OMP: pid 299543 tid 299543 thread 0 bound to OS proc set {120}
OMP: pid 299576 tid 299576 thread 0 bound to OS proc set {56}
OMP: pid 299594 tid 299594 thread 0 bound to OS proc set {162}
OMP: pid 299651 tid 299651 thread 0 bound to OS proc set {124}
OMP: pid 299643 tid 299643 thread 0 bound to OS proc set {140}
OMP: pid 299591 tid 299591 thread 0 bound to OS proc set {240}
OMP: pid 299575 tid 299575 thread 0 bound to OS proc set {204}
OMP: pid 299634 tid 299634 thread 0 bound to OS proc set {66}
OMP: pid 299632 tid 299632 thread 0 bound to OS proc set {76}
OMP: pid 299547 tid 299547 thread 0 bound to OS proc set {206}
OMP: pid 299541 tid 299541 thread 0 bound to OS proc set {12}
OMP: pid 299646 tid 299646 thread 0 bound to OS proc set {70}
OMP: pid 299582 tid 299582 thread 0 bound to OS proc set {74}
OMP: pid 299610 tid 299610 thread 0 bound to OS proc set {194}
OMP: pid 299644 tid 299644 thread 0 bound to OS proc set {154}
OMP: pid 299647 tid 299647 thread 0 bound to OS proc set {190}
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)
7 by 3 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 = 0.024 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 2227 | 2267 | 2316 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.8112 on 126 procs for 10 steps with 32768000 atoms
Performance: 2.385 ns/day, 10.062 hours/ns, 5.521 timesteps/s, 180.919 Matom-step/s
63.0% CPU use with 126 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.104 | 1.204 | 1.3026 | 4.4 | 66.47
Neigh | 0.12021 | 0.13183 | 0.15316 | 2.1 | 7.28
Comm | 0.21231 | 0.29951 | 0.40429 | 8.5 | 16.54
Output | 0.014139 | 0.018729 | 0.024515 | 2.0 | 1.03
Modify | 0.087338 | 0.10427 | 0.11927 | 2.1 | 5.76
Other | | 0.0529 | | | 2.92
Nlocal: 260063 ave 263375 max 256799 min
Histogram: 12 6 8 25 11 28 4 11 13 8
Nghost: 72260.8 ave 74889 max 68845 min
Histogram: 8 4 8 20 15 11 17 7 24 12
Neighs: 9.78925e+06 ave 9.95568e+06 max 9.65795e+06 min
Histogram: 12 16 10 20 12 22 13 5 12 4
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 2230 | 2268 | 2316 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.469
400 797.74786 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84596 -1.1257917e+08 0 -1.0919981e+08 51536.934
500 797.7245 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 52.9848 on 126 procs for 500 steps with 32768000 atoms
Performance: 4.077 ns/day, 5.887 hours/ns, 9.437 timesteps/s, 309.221 Matom-step/s
99.1% CPU use with 126 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 35.538 | 36.845 | 40.645 | 15.7 | 69.54
Neigh | 3.9994 | 4.2048 | 4.5706 | 8.0 | 7.94
Comm | 4.3052 | 7.7443 | 10.067 | 40.4 | 14.62
Output | 0.033266 | 0.052958 | 0.080205 | 5.6 | 0.10
Modify | 2.2087 | 2.8597 | 3.3938 | 16.0 | 5.40
Other | | 1.278 | | | 2.41
Nlocal: 260063 ave 263500 max 256426 min
Histogram: 11 1 14 8 28 15 17 17 7 8
Nghost: 72053.3 ave 75204 max 68718 min
Histogram: 12 1 7 18 25 18 9 18 17 1
Neighs: 9.81664e+06 ave 9.98144e+06 max 9.67213e+06 min
Histogram: 7 7 22 14 18 23 12 8 11 4
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747093
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:55
[MAQAO] Info: 15/126 lprof instances finished
[MAQAO] Info: 16/126 lprof instances finished
[MAQAO] Info: 21/126 lprof instances finished
[MAQAO] Info: 26/126 lprof instances finished
[MAQAO] Info: 28/126 lprof instances finished
[MAQAO] Info: 33/126 lprof instances finished
[MAQAO] Info: 35/126 lprof instances finished
[MAQAO] Info: 39/126 lprof instances finished
[MAQAO] Info: 41/126 lprof instances finished
[MAQAO] Info: 49/126 lprof instances finished
[MAQAO] Info: 57/126 lprof instances finished
[MAQAO] Info: 68/126 lprof instances finished
[MAQAO] Info: 121/126 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/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_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_3 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 144 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 302388 isix02.benchmarkcenter.megware.com {0,1,256}
[0] MPI startup(): 1 302393 isix02.benchmarkcenter.megware.com {2,257,258}
[0] MPI startup(): 2 302395 isix02.benchmarkcenter.megware.com {3,4,259}
[0] MPI startup(): 3 302292 isix02.benchmarkcenter.megware.com {5,260,261}
[0] MPI startup(): 4 302322 isix02.benchmarkcenter.megware.com {6,7,262}
[0] MPI startup(): 5 302360 isix02.benchmarkcenter.megware.com {8,263,264}
[0] MPI startup(): 6 302403 isix02.benchmarkcenter.megware.com {9,10,265}
[0] MPI startup(): 7 302396 isix02.benchmarkcenter.megware.com {11,266,267}
[0] MPI startup(): 8 302386 isix02.benchmarkcenter.megware.com {12,13,268}
[0] MPI startup(): 9 302344 isix02.benchmarkcenter.megware.com {14,269,270}
[0] MPI startup(): 10 302411 isix02.benchmarkcenter.megware.com {15,16,271}
[0] MPI startup(): 11 302417 isix02.benchmarkcenter.megware.com {17,272,273}
[0] MPI startup(): 12 302325 isix02.benchmarkcenter.megware.com {18,19,274}
[0] MPI startup(): 13 302347 isix02.benchmarkcenter.megware.com {20,275,276}
[0] MPI startup(): 14 302318 isix02.benchmarkcenter.megware.com {21,22,277}
[0] MPI startup(): 15 302304 isix02.benchmarkcenter.megware.com {23,278,279}
[0] MPI startup(): 16 302346 isix02.benchmarkcenter.megware.com {24,25,280}
[0] MPI startup(): 17 302354 isix02.benchmarkcenter.megware.com {26,281,282}
[0] MPI startup(): 18 302281 isix02.benchmarkcenter.megware.com {27,28,283}
[0] MPI startup(): 19 302316 isix02.benchmarkcenter.megware.com {29,284,285}
[0] MPI startup(): 20 302361 isix02.benchmarkcenter.megware.com {30,31,286}
[0] MPI startup(): 21 302331 isix02.benchmarkcenter.megware.com {32,287,288}
[0] MPI startup(): 22 302387 isix02.benchmarkcenter.megware.com {33,34,289}
[0] MPI startup(): 23 302392 isix02.benchmarkcenter.megware.com {35,290,291}
[0] MPI startup(): 24 302326 isix02.benchmarkcenter.megware.com {36,37,292}
[0] MPI startup(): 25 302300 isix02.benchmarkcenter.megware.com {38,293,294}
[0] MPI startup(): 26 302333 isix02.benchmarkcenter.megware.com {39,40,295}
[0] MPI startup(): 27 302334 isix02.benchmarkcenter.megware.com {41,296,297}
[0] MPI startup(): 28 302406 isix02.benchmarkcenter.megware.com {42,43,298}
[0] MPI startup(): 29 302424 isix02.benchmarkcenter.megware.com {44,299,300}
[0] MPI startup(): 30 302286 isix02.benchmarkcenter.megware.com {45,46,301}
[0] MPI startup(): 31 302405 isix02.benchmarkcenter.megware.com {47,302,303}
[0] MPI startup(): 32 302303 isix02.benchmarkcenter.megware.com {48,49,304}
[0] MPI startup(): 33 302368 isix02.benchmarkcenter.megware.com {50,305,306}
[0] MPI startup(): 34 302428 isix02.benchmarkcenter.megware.com {51,52,307}
[0] MPI startup(): 35 302352 isix02.benchmarkcenter.megware.com {53,308,309}
[0] MPI startup(): 36 302376 isix02.benchmarkcenter.megware.com {54,55,310}
[0] MPI startup(): 37 302345 isix02.benchmarkcenter.megware.com {56,311,312}
[0] MPI startup(): 38 302312 isix02.benchmarkcenter.megware.com {57,58,313}
[0] MPI startup(): 39 302339 isix02.benchmarkcenter.megware.com {59,314,315}
[0] MPI startup(): 40 302423 isix02.benchmarkcenter.megware.com {60,61,316}
[0] MPI startup(): 41 302425 isix02.benchmarkcenter.megware.com {62,317,318}
[0] MPI startup(): 42 302313 isix02.benchmarkcenter.megware.com {63,64,319}
[0] MPI startup(): 43 302413 isix02.benchmarkcenter.megware.com {65,320,321}
[0] MPI startup(): 44 302349 isix02.benchmarkcenter.megware.com {66,67,322}
[0] MPI startup(): 45 302319 isix02.benchmarkcenter.megware.com {68,323,324}
[0] MPI startup(): 46 302291 isix02.benchmarkcenter.megware.com {69,70,325}
[0] MPI startup(): 47 302374 isix02.benchmarkcenter.megware.com {71,326,327}
[0] MPI startup(): 48 302284 isix02.benchmarkcenter.megware.com {72,73,328}
[0] MPI startup(): 49 302359 isix02.benchmarkcenter.megware.com {74,329,330}
[0] MPI startup(): 50 302369 isix02.benchmarkcenter.megware.com {75,76,331}
[0] MPI startup(): 51 302343 isix02.benchmarkcenter.megware.com {77,332,333}
[0] MPI startup(): 52 302298 isix02.benchmarkcenter.megware.com {78,79,334}
[0] MPI startup(): 53 302348 isix02.benchmarkcenter.megware.com {80,335,336}
[0] MPI startup(): 54 302358 isix02.benchmarkcenter.megware.com {81,82,337}
[0] MPI startup(): 55 302412 isix02.benchmarkcenter.megware.com {83,338,339}
[0] MPI startup(): 56 302398 isix02.benchmarkcenter.megware.com {84,85,340}
[0] MPI startup(): 57 302353 isix02.benchmarkcenter.megware.com {86,341,342}
[0] MPI startup(): 58 302327 isix02.benchmarkcenter.megware.com {87,88,343}
[0] MPI startup(): 59 302365 isix02.benchmarkcenter.megware.com {89,344,345}
[0] MPI startup(): 60 302335 isix02.benchmarkcenter.megware.com {90,91,346}
[0] MPI startup(): 61 302328 isix02.benchmarkcenter.megware.com {92,347,348}
[0] MPI startup(): 62 302299 isix02.benchmarkcenter.megware.com {93,94,349}
[0] MPI startup(): 63 302357 isix02.benchmarkcenter.megware.com {95,350,351}
[0] MPI startup(): 64 302371 isix02.benchmarkcenter.megware.com {96,97,352}
[0] MPI startup(): 65 302310 isix02.benchmarkcenter.megware.com {98,353,354}
[0] MPI startup(): 66 302355 isix02.benchmarkcenter.megware.com {99,100,355}
[0] MPI startup(): 67 302399 isix02.benchmarkcenter.megware.com {101,356,357}
[0] MPI startup(): 68 302338 isix02.benchmarkcenter.megware.com {102,103,358}
[0] MPI startup(): 69 302309 isix02.benchmarkcenter.megware.com {104,359,360}
[0] MPI startup(): 70 302323 isix02.benchmarkcenter.megware.com {105,106,361}
[0] MPI startup(): 71 302341 isix02.benchmarkcenter.megware.com {107,362,363}
[0] MPI startup(): 72 302389 isix02.benchmarkcenter.megware.com {108,109,364}
[0] MPI startup(): 73 302366 isix02.benchmarkcenter.megware.com {110,365,366}
[0] MPI startup(): 74 302362 isix02.benchmarkcenter.megware.com {111,112,367}
[0] MPI startup(): 75 302422 isix02.benchmarkcenter.megware.com {113,368,369}
[0] MPI startup(): 76 302364 isix02.benchmarkcenter.megware.com {114,115,370}
[0] MPI startup(): 77 302418 isix02.benchmarkcenter.megware.com {116,371,372}
[0] MPI startup(): 78 302375 isix02.benchmarkcenter.megware.com {117,118,373}
[0] MPI startup(): 79 302378 isix02.benchmarkcenter.megware.com {119,374,375}
[0] MPI startup(): 80 302402 isix02.benchmarkcenter.megware.com {120,121,376}
[0] MPI startup(): 81 302427 isix02.benchmarkcenter.megware.com {122,377,378}
[0] MPI startup(): 82 302350 isix02.benchmarkcenter.megware.com {123,124,379}
[0] MPI startup(): 83 302307 isix02.benchmarkcenter.megware.com {125,380,381}
[0] MPI startup(): 84 302340 isix02.benchmarkcenter.megware.com {126,127,382}
[0] MPI startup(): 85 302384 isix02.benchmarkcenter.megware.com {128,383,384}
[0] MPI startup(): 86 302408 isix02.benchmarkcenter.megware.com {129,130,385}
[0] MPI startup(): 87 302351 isix02.benchmarkcenter.megware.com {131,386,387}
[0] MPI startup(): 88 302385 isix02.benchmarkcenter.megware.com {132,133,388}
[0] MPI startup(): 89 302401 isix02.benchmarkcenter.megware.com {134,389,390}
[0] MPI startup(): 90 302306 isix02.benchmarkcenter.megware.com {135,136,391}
[0] MPI startup(): 91 302383 isix02.benchmarkcenter.megware.com {137,392,393}
[0] MPI startup(): 92 302332 isix02.benchmarkcenter.megware.com {138,139,394}
[0] MPI startup(): 93 302321 isix02.benchmarkcenter.megware.com {140,395,396}
[0] MPI startup(): 94 302426 isix02.benchmarkcenter.megware.com {141,142,397}
[0] MPI startup(): 95 302287 isix02.benchmarkcenter.megware.com {143,398,399}
[0] MPI startup(): 96 302373 isix02.benchmarkcenter.megware.com {144,145,400}
[0] MPI startup(): 97 302285 isix02.benchmarkcenter.megware.com {146,401,402}
[0] MPI startup(): 98 302282 isix02.benchmarkcenter.megware.com {147,148,403}
[0] MPI startup(): 99 302421 isix02.benchmarkcenter.megware.com {149,404,405}
[0] MPI startup(): 100 302302 isix02.benchmarkcenter.megware.com {150,151,406}
[0] MPI startup(): 101 302400 isix02.benchmarkcenter.megware.com {152,407,408}
[0] MPI startup(): 102 302377 isix02.benchmarkcenter.megware.com {153,154,409}
[0] MPI startup(): 103 302391 isix02.benchmarkcenter.megware.com {155,410,411}
[0] MPI startup(): 104 302409 isix02.benchmarkcenter.megware.com {156,157,412}
[0] MPI startup(): 105 302397 isix02.benchmarkcenter.megware.com {158,413,414}
[0] MPI startup(): 106 302315 isix02.benchmarkcenter.megware.com {159,160,415}
[0] MPI startup(): 107 302308 isix02.benchmarkcenter.megware.com {161,416,417}
[0] MPI startup(): 108 302407 isix02.benchmarkcenter.megware.com {162,163,418}
[0] MPI startup(): 109 302296 isix02.benchmarkcenter.megware.com {164,419,420}
[0] MPI startup(): 110 302370 isix02.benchmarkcenter.megware.com {165,166,421}
[0] MPI startup(): 111 302288 isix02.benchmarkcenter.megware.com {167,422,423}
[0] MPI startup(): 112 302419 isix02.benchmarkcenter.megware.com {168,169,424}
[0] MPI startup(): 113 302337 isix02.benchmarkcenter.megware.com {170,425,426}
[0] MPI startup(): 114 302283 isix02.benchmarkcenter.megware.com {171,172,427}
[0] MPI startup(): 115 302290 isix02.benchmarkcenter.megware.com {173,428,429}
[0] MPI startup(): 116 302416 isix02.benchmarkcenter.megware.com {174,175,430}
[0] MPI startup(): 117 302381 isix02.benchmarkcenter.megware.com {176,431,432}
[0] MPI startup(): 118 302390 isix02.benchmarkcenter.megware.com {177,178,433}
[0] MPI startup(): 119 302289 isix02.benchmarkcenter.megware.com {179,434,435}
[0] MPI startup(): 120 302415 isix02.benchmarkcenter.megware.com {180,181,436}
[0] MPI startup(): 121 302301 isix02.benchmarkcenter.megware.com {182,437,438}
[0] MPI startup(): 122 302293 isix02.benchmarkcenter.megware.com {183,184,439}
[0] MPI startup(): 123 302305 isix02.benchmarkcenter.megware.com {185,440,441}
[0] MPI startup(): 124 302330 isix02.benchmarkcenter.megware.com {186,187,442}
[0] MPI startup(): 125 302311 isix02.benchmarkcenter.megware.com {188,443,444}
[0] MPI startup(): 126 302336 isix02.benchmarkcenter.megware.com {189,190,445}
[0] MPI startup(): 127 302320 isix02.benchmarkcenter.megware.com {191,446,447}
[0] MPI startup(): 128 302295 isix02.benchmarkcenter.megware.com {192,193,448}
[0] MPI startup(): 129 302297 isix02.benchmarkcenter.megware.com {194,449,450}
[0] MPI startup(): 130 302317 isix02.benchmarkcenter.megware.com {195,196,451}
[0] MPI startup(): 131 302367 isix02.benchmarkcenter.megware.com {197,452,453}
[0] MPI startup(): 132 302329 isix02.benchmarkcenter.megware.com {198,199,454}
[0] MPI startup(): 133 302414 isix02.benchmarkcenter.megware.com {200,455,456}
[0] MPI startup(): 134 302294 isix02.benchmarkcenter.megware.com {201,202,457}
[0] MPI startup(): 135 302379 isix02.benchmarkcenter.megware.com {203,458,459}
[0] MPI startup(): 136 302380 isix02.benchmarkcenter.megware.com {204,205,460}
[0] MPI startup(): 137 302404 isix02.benchmarkcenter.megware.com {206,461,462}
[0] MPI startup(): 138 302314 isix02.benchmarkcenter.megware.com {207,208,463}
[0] MPI startup(): 139 302394 isix02.benchmarkcenter.megware.com {209,464,465}
[0] MPI startup(): 140 302420 isix02.benchmarkcenter.megware.com {210,211,466}
[0] MPI startup(): 141 302372 isix02.benchmarkcenter.megware.com {212,467,468}
[0] MPI startup(): 142 302363 isix02.benchmarkcenter.megware.com {213,214,469}
[0] MPI startup(): 143 302342 isix02.benchmarkcenter.megware.com {215,470,471}
OMP: pid 302318 tid 302318 thread 0 bound to OS proc set {21}
OMP: pid 302353 tid 302353 thread 0 bound to OS proc set {341}
OMP: pid 302364 tid 302364 thread 0 bound to OS proc set {114}
OMP: pid 302418 tid 302418 thread 0 bound to OS proc set {371}
OMP: pid 302371 tid 302371 thread 0 bound to OS proc set {96}
OMP: pid 302322 tid 302322 thread 0 bound to OS proc set {6}
OMP: pid 302377 tid 302377 thread 0 bound to OS proc set {153}
OMP: pid 302295 tid 302295 thread 0 bound to OS proc set {192}
OMP: pid 302417 tid 302417 thread 0 bound to OS proc set {272}
OMP: pid 302387 tid 302387 thread 0 bound to OS proc set {33}
OMP: pid 302337 tid 302337 thread 0 bound to OS proc set {425}
OMP: pid 302383 tid 302383 thread 0 bound to OS proc set {392}
OMP: pid 302428 tid 302428 thread 0 bound to OS proc set {51}
OMP: pid 302339 tid 302339 thread 0 bound to OS proc set {314}
OMP: pid 302298 tid 302298 thread 0 bound to OS proc set {78}
OMP: pid 302380 tid 302380 thread 0 bound to OS proc set {204}
OMP: pid 302294 tid 302294 thread 0 bound to OS proc set {201}
OMP: pid 302361 tid 302361 thread 0 bound to OS proc set {30}
OMP: pid 302359 tid 302359 thread 0 bound to OS proc set {329}
OMP: pid 302314 tid 302314 thread 0 bound to OS proc set {207}
OMP: pid 302398 tid 302398 thread 0 bound to OS proc set {84}
OMP: pid 302408 tid 302408 thread 0 bound to OS proc set {129}
OMP: pid 302397 tid 302397 thread 0 bound to OS proc set {413}
OMP: pid 302394 tid 302394 thread 0 bound to OS proc set {464}
OMP: pid 302333 tid 302333 thread 0 bound to OS proc set {39}
OMP: pid 302384 tid 302384 thread 0 bound to OS proc set {383}
OMP: pid 302299 tid 302299 thread 0 bound to OS proc set {93}
OMP: pid 302302 tid 302302 thread 0 bound to OS proc set {150}
OMP: pid 302395 tid 302395 thread 0 bound to OS proc set {3}
OMP: pid 302300 tid 302300 thread 0 bound to OS proc set {293}
OMP: pid 302424 tid 302424 thread 0 bound to OS proc set {299}
OMP: pid 302288 tid 302288 thread 0 bound to OS proc set {422}
OMP: pid 302357 tid 302357 thread 0 bound to OS proc set {350}
OMP: pid 302374 tid 302374 thread 0 bound to OS proc set {326}
OMP: pid 302282 tid 302282 thread 0 bound to OS proc set {147}
OMP: pid 302310 tid 302310 thread 0 bound to OS proc set {353}
OMP: pid 302307 tid 302307 thread 0 bound to OS proc set {380}
OMP: pid 302362 tid 302362 thread 0 bound to OS proc set {111}
OMP: pid 302423 tid 302423 thread 0 bound to OS proc set {60}
OMP: pid 302311 tid 302311 thread 0 bound to OS proc set {443}
OMP: pid 302330 tid 302330 thread 0 bound to OS proc set {186}
OMP: pid 302400 tid 302400 thread 0 bound to OS proc set {407}
OMP: pid 302301 tid 302301 thread 0 bound to OS proc set {437}
OMP: pid 302390 tid 302390 thread 0 bound to OS proc set {177}
OMP: pid 302321 tid 302321 thread 0 bound to OS proc set {395}
OMP: pid 302304 tid 302304 thread 0 bound to OS proc set {278}
OMP: pid 302351 tid 302351 thread 0 bound to OS proc set {386}
OMP: pid 302283 tid 302283 thread 0 bound to OS proc set {171}
OMP: pid 302342 tid 302342 thread 0 bound to OS proc set {470}
OMP: pid 302415 tid 302415 thread 0 bound to OS proc set {180}
OMP: pid 302367 tid 302367 thread 0 bound to OS proc set {452}
OMP: pid 302323 tid 302323 thread 0 bound to OS proc set {105}
OMP: pid 302407 tid 302407 thread 0 bound to OS proc set {162}
OMP: pid 302290 tid 302290 thread 0 bound to OS proc set {428}
OMP: pid 302306 tid 302306 thread 0 bound to OS proc set {135}
OMP: pid 302329 tid 302329 thread 0 bound to OS proc set {198}
OMP: pid 302363 tid 302363 thread 0 bound to OS proc set {213}
OMP: pid 302303 tid 302303 thread 0 bound to OS proc set {48}
OMP: pid 302296 tid 302296 thread 0 bound to OS proc set {419}
OMP: pid 302332 tid 302332 thread 0 bound to OS proc set {138}
OMP: pid 302420 tid 302420 thread 0 bound to OS proc set {210}
OMP: pid 302379 tid 302379 thread 0 bound to OS proc set {458}
OMP: pid 302331 tid 302331 thread 0 bound to OS proc set {287}
OMP: pid 302336 tid 302336 thread 0 bound to OS proc set {189}
OMP: pid 302335 tid 302335 thread 0 bound to OS proc set {90}
OMP: pid 302388 tid 302388 thread 0 bound to OS proc set {0}
OMP: pid 302317 tid 302317 thread 0 bound to OS proc set {195}
OMP: pid 302391 tid 302391 thread 0 bound to OS proc set {410}
OMP: pid 302372 tid 302372 thread 0 bound to OS proc set {467}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 302426 tid 302426 thread 0 bound to OS proc set {141}
OMP: pid 302369 tid 302369 thread 0 bound to OS proc set {75}
OMP: pid 302403 tid 302403 thread 0 bound to OS proc set {9}
OMP: pid 302370 tid 302370 thread 0 bound to OS proc set {165}
OMP: pid 302385 tid 302385 thread 0 bound to OS proc set {132}
OMP: pid 302378 tid 302378 thread 0 bound to OS proc set {374}
OMP: pid 302316 tid 302316 thread 0 bound to OS proc set {284}
OMP: pid 302344 tid 302344 thread 0 bound to OS proc set {269}
OMP: pid 302285 tid 302285 thread 0 bound to OS proc set {401}
OMP: pid 302319 tid 302319 thread 0 bound to OS proc set {323}
OMP: pid 302320 tid 302320 thread 0 bound to OS proc set {446}
OMP: pid 302409 tid 302409 thread 0 bound to OS proc set {156}
OMP: pid 302365 tid 302365 thread 0 bound to OS proc set {344}
OMP: pid 302399 tid 302399 thread 0 bound to OS proc set {356}
OMP: pid 302350 tid 302350 thread 0 bound to OS proc set {123}
OMP: pid 302289 tid 302289 thread 0 bound to OS proc set {434}
OMP: pid 302425 tid 302425 thread 0 bound to OS proc set {317}
OMP: pid 302297 tid 302297 thread 0 bound to OS proc set {449}
OMP: pid 302309 tid 302309 thread 0 bound to OS proc set {359}
OMP: pid 302292 tid 302292 thread 0 bound to OS proc set {260}
OMP: pid 302293 tid 302293 thread 0 bound to OS proc set {183}
OMP: pid 302338 tid 302338 thread 0 bound to OS proc set {102}
OMP: pid 302346 tid 302346 thread 0 bound to OS proc set {24}
OMP: pid 302315 tid 302315 thread 0 bound to OS proc set {159}
OMP: pid 302405 tid 302405 thread 0 bound to OS proc set {302}
OMP: pid 302375 tid 302375 thread 0 bound to OS proc set {117}
OMP: pid 302355 tid 302355 thread 0 bound to OS proc set {99}
OMP: pid 302326 tid 302326 thread 0 bound to OS proc set {36}
OMP: pid 302325 tid 302325 thread 0 bound to OS proc set {18}
OMP: pid 302340 tid 302340 thread 0 bound to OS proc set {126}
OMP: pid 302381 tid 302381 thread 0 bound to OS proc set {431}
OMP: pid 302366 tid 302366 thread 0 bound to OS proc set {365}
OMP: pid 302402 tid 302402 thread 0 bound to OS proc set {120}
OMP: pid 302281 tid 302281 thread 0 bound to OS proc set {27}
OMP: pid 302404 tid 302404 thread 0 bound to OS proc set {461}
OMP: pid 302334 tid 302334 thread 0 bound to OS proc set {296}
OMP: pid 302368 tid 302368 thread 0 bound to OS proc set {305}
OMP: pid 302347 tid 302347 thread 0 bound to OS proc set {275}
OMP: pid 302352 tid 302352 thread 0 bound to OS proc set {308}
OMP: pid 302376 tid 302376 thread 0 bound to OS proc set {54}
OMP: pid 302341 tid 302341 thread 0 bound to OS proc set {362}
OMP: pid 302411 tid 302411 thread 0 bound to OS proc set {15}
OMP: pid 302416 tid 302416 thread 0 bound to OS proc set {174}
OMP: pid 302284 tid 302284 thread 0 bound to OS proc set {72}
OMP: pid 302343 tid 302343 thread 0 bound to OS proc set {332}
OMP: pid 302427 tid 302427 thread 0 bound to OS proc set {377}
OMP: pid 302421 tid 302421 thread 0 bound to OS proc set {404}
OMP: pid 302287 tid 302287 thread 0 bound to OS proc set {398}
OMP: pid 302291 tid 302291 thread 0 bound to OS proc set {69}
OMP: pid 302328 tid 302328 thread 0 bound to OS proc set {347}
OMP: pid 302308 tid 302308 thread 0 bound to OS proc set {416}
OMP: pid 302354 tid 302354 thread 0 bound to OS proc set {281}
OMP: pid 302312 tid 302312 thread 0 bound to OS proc set {57}
OMP: pid 302305 tid 302305 thread 0 bound to OS proc set {440}
OMP: pid 302327 tid 302327 thread 0 bound to OS proc set {87}
OMP: pid 302401 tid 302401 thread 0 bound to OS proc set {389}
OMP: pid 302413 tid 302413 thread 0 bound to OS proc set {320}
OMP: pid 302373 tid 302373 thread 0 bound to OS proc set {144}
OMP: pid 302406 tid 302406 thread 0 bound to OS proc set {42}
OMP: pid 302419 tid 302419 thread 0 bound to OS proc set {168}
OMP: pid 302349 tid 302349 thread 0 bound to OS proc set {66}
OMP: pid 302358 tid 302358 thread 0 bound to OS proc set {81}
OMP: pid 302386 tid 302386 thread 0 bound to OS proc set {12}
OMP: pid 302286 tid 302286 thread 0 bound to OS proc set {45}
OMP: pid 302345 tid 302345 thread 0 bound to OS proc set {311}
OMP: pid 302422 tid 302422 thread 0 bound to OS proc set {368}
OMP: pid 302348 tid 302348 thread 0 bound to OS proc set {335}
OMP: pid 302392 tid 302392 thread 0 bound to OS proc set {290}
OMP: pid 302414 tid 302414 thread 0 bound to OS proc set {455}
OMP: pid 302360 tid 302360 thread 0 bound to OS proc set {263}
OMP: pid 302393 tid 302393 thread 0 bound to OS proc set {257}
OMP: pid 302412 tid 302412 thread 0 bound to OS proc set {338}
OMP: pid 302389 tid 302389 thread 0 bound to OS proc set {108}
OMP: pid 302313 tid 302313 thread 0 bound to OS proc set {63}
OMP: pid 302396 tid 302396 thread 0 bound to OS proc set {266}
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)
9 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 = 0.026 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1932 | 1985 | 2058 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.64964 on 144 procs for 10 steps with 32768000 atoms
Performance: 2.619 ns/day, 9.165 hours/ns, 6.062 timesteps/s, 198.638 Matom-step/s
70.7% CPU use with 144 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0085 | 1.1978 | 1.3378 | 6.8 | 72.61
Neigh | 0.043552 | 0.052101 | 0.059542 | 0.9 | 3.16
Comm | 0.13032 | 0.26129 | 0.40647 | 13.7 | 15.84
Output | 0.013137 | 0.018407 | 0.023824 | 2.1 | 1.12
Modify | 0.030083 | 0.066884 | 0.10497 | 3.5 | 4.05
Other | | 0.05316 | | | 3.22
Nlocal: 227556 ave 228724 max 227100 min
Histogram: 75 18 19 0 0 0 0 0 17 15
Nghost: 66464.4 ave 67856 max 64124 min
Histogram: 16 0 0 32 0 0 32 14 18 32
Neighs: 8.56559e+06 ave 8.61518e+06 max 8.54075e+06 min
Histogram: 34 22 39 14 3 0 2 11 7 12
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1932 | 1985 | 2058 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74786 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84597 -1.1257917e+08 0 -1.0919981e+08 51536.934
500 797.7245 -1.1257864e+08 0 -1.091998e+08 51543.023
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 52.0686 on 144 procs for 500 steps with 32768000 atoms
Performance: 4.148 ns/day, 5.785 hours/ns, 9.603 timesteps/s, 314.662 Matom-step/s
99.1% CPU use with 144 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 33.315 | 35.789 | 37.801 | 8.3 | 68.73
Neigh | 3.2997 | 4.1155 | 4.5831 | 4.3 | 7.90
Comm | 5.5883 | 7.2634 | 12.586 | 26.5 | 13.95
Output | 0.02139 | 0.056003 | 0.10591 | 8.9 | 0.11
Modify | 0.96681 | 3.442 | 4.2787 | 29.3 | 6.61
Other | | 1.403 | | | 2.69
Nlocal: 227556 ave 228840 max 226684 min
Histogram: 8 17 45 28 11 3 3 3 16 10
Nghost: 66460.4 ave 68041 max 63930 min
Histogram: 6 7 11 17 6 4 25 24 23 21
Neighs: 8.58956e+06 ave 8.64856e+06 max 8.55392e+06 min
Histogram: 8 30 33 29 7 8 5 10 8 6
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747092
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:55
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/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_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_4 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 168 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 306067 isix02.benchmarkcenter.megware.com {0,1,256}
[0] MPI startup(): 1 306106 isix02.benchmarkcenter.megware.com {2,257,258}
[0] MPI startup(): 2 306140 isix02.benchmarkcenter.megware.com {3,4,259}
[0] MPI startup(): 3 306113 isix02.benchmarkcenter.megware.com {5,260,261}
[0] MPI startup(): 4 306220 isix02.benchmarkcenter.megware.com {6,7,262}
[0] MPI startup(): 5 306224 isix02.benchmarkcenter.megware.com {8,263,264}
[0] MPI startup(): 6 306080 isix02.benchmarkcenter.megware.com {9,10,265}
[0] MPI startup(): 7 306204 isix02.benchmarkcenter.megware.com {11,266,267}
[0] MPI startup(): 8 306084 isix02.benchmarkcenter.megware.com {12,13,268}
[0] MPI startup(): 9 306207 isix02.benchmarkcenter.megware.com {14,269,270}
[0] MPI startup(): 10 306073 isix02.benchmarkcenter.megware.com {15,16,271}
[0] MPI startup(): 11 306171 isix02.benchmarkcenter.megware.com {17,272,273}
[0] MPI startup(): 12 306188 isix02.benchmarkcenter.megware.com {18,19,274}
[0] MPI startup(): 13 306114 isix02.benchmarkcenter.megware.com {20,275,276}
[0] MPI startup(): 14 306183 isix02.benchmarkcenter.megware.com {21,22,277}
[0] MPI startup(): 15 306055 isix02.benchmarkcenter.megware.com {23,278,279}
[0] MPI startup(): 16 306057 isix02.benchmarkcenter.megware.com {24,25,280}
[0] MPI startup(): 17 306189 isix02.benchmarkcenter.megware.com {26,281,282}
[0] MPI startup(): 18 306170 isix02.benchmarkcenter.megware.com {27,28,283}
[0] MPI startup(): 19 306081 isix02.benchmarkcenter.megware.com {29,284,285}
[0] MPI startup(): 20 306208 isix02.benchmarkcenter.megware.com {30,31,286}
[0] MPI startup(): 21 306160 isix02.benchmarkcenter.megware.com {32,287,288}
[0] MPI startup(): 22 306200 isix02.benchmarkcenter.megware.com {33,34,289}
[0] MPI startup(): 23 306175 isix02.benchmarkcenter.megware.com {35,290,291}
[0] MPI startup(): 24 306118 isix02.benchmarkcenter.megware.com {36,37,292}
[0] MPI startup(): 25 306082 isix02.benchmarkcenter.megware.com {38,293,294}
[0] MPI startup(): 26 306130 isix02.benchmarkcenter.megware.com {39,40,295}
[0] MPI startup(): 27 306168 isix02.benchmarkcenter.megware.com {41,296,297}
[0] MPI startup(): 28 306105 isix02.benchmarkcenter.megware.com {42,43,298}
[0] MPI startup(): 29 306058 isix02.benchmarkcenter.megware.com {44,299,300}
[0] MPI startup(): 30 306122 isix02.benchmarkcenter.megware.com {45,46,301}
[0] MPI startup(): 31 306186 isix02.benchmarkcenter.megware.com {47,302,303}
[0] MPI startup(): 32 306132 isix02.benchmarkcenter.megware.com {48,49,304}
[0] MPI startup(): 33 306146 isix02.benchmarkcenter.megware.com {50,305,306}
[0] MPI startup(): 34 306162 isix02.benchmarkcenter.megware.com {51,52,307}
[0] MPI startup(): 35 306079 isix02.benchmarkcenter.megware.com {53,308,309}
[0] MPI startup(): 36 306198 isix02.benchmarkcenter.megware.com {54,55,310}
[0] MPI startup(): 37 306158 isix02.benchmarkcenter.megware.com {56,311,312}
[0] MPI startup(): 38 306215 isix02.benchmarkcenter.megware.com {57,58,313}
[0] MPI startup(): 39 306087 isix02.benchmarkcenter.megware.com {59,314,315}
[0] MPI startup(): 40 306056 isix02.benchmarkcenter.megware.com {60,61,316}
[0] MPI startup(): 41 306129 isix02.benchmarkcenter.megware.com {62,317,318}
[0] MPI startup(): 42 306139 isix02.benchmarkcenter.megware.com {63,64,319}
[0] MPI startup(): 43 306182 isix02.benchmarkcenter.megware.com {65,320,321}
[0] MPI startup(): 44 306211 isix02.benchmarkcenter.megware.com {66,67,322}
[0] MPI startup(): 45 306178 isix02.benchmarkcenter.megware.com {68,323,324}
[0] MPI startup(): 46 306143 isix02.benchmarkcenter.megware.com {69,70,325}
[0] MPI startup(): 47 306209 isix02.benchmarkcenter.megware.com {71,326,327}
[0] MPI startup(): 48 306110 isix02.benchmarkcenter.megware.com {72,73,328}
[0] MPI startup(): 49 306063 isix02.benchmarkcenter.megware.com {74,329,330}
[0] MPI startup(): 50 306163 isix02.benchmarkcenter.megware.com {75,76,331}
[0] MPI startup(): 51 306206 isix02.benchmarkcenter.megware.com {77,332,333}
[0] MPI startup(): 52 306091 isix02.benchmarkcenter.megware.com {78,79,334}
[0] MPI startup(): 53 306075 isix02.benchmarkcenter.megware.com {80,335,336}
[0] MPI startup(): 54 306065 isix02.benchmarkcenter.megware.com {81,82,337}
[0] MPI startup(): 55 306148 isix02.benchmarkcenter.megware.com {83,338,339}
[0] MPI startup(): 56 306104 isix02.benchmarkcenter.megware.com {84,85,340}
[0] MPI startup(): 57 306125 isix02.benchmarkcenter.megware.com {86,341,342}
[0] MPI startup(): 58 306153 isix02.benchmarkcenter.megware.com {87,88,343}
[0] MPI startup(): 59 306107 isix02.benchmarkcenter.megware.com {89,344,345}
[0] MPI startup(): 60 306199 isix02.benchmarkcenter.megware.com {90,91,346}
[0] MPI startup(): 61 306218 isix02.benchmarkcenter.megware.com {92,347,348}
[0] MPI startup(): 62 306121 isix02.benchmarkcenter.megware.com {93,94,349}
[0] MPI startup(): 63 306078 isix02.benchmarkcenter.megware.com {95,350,351}
[0] MPI startup(): 64 306136 isix02.benchmarkcenter.megware.com {96,97,352}
[0] MPI startup(): 65 306181 isix02.benchmarkcenter.megware.com {98,353,354}
[0] MPI startup(): 66 306152 isix02.benchmarkcenter.megware.com {99,100,355}
[0] MPI startup(): 67 306164 isix02.benchmarkcenter.megware.com {101,356,357}
[0] MPI startup(): 68 306165 isix02.benchmarkcenter.megware.com {102,103,358}
[0] MPI startup(): 69 306086 isix02.benchmarkcenter.megware.com {104,359,360}
[0] MPI startup(): 70 306074 isix02.benchmarkcenter.megware.com {105,106,361}
[0] MPI startup(): 71 306212 isix02.benchmarkcenter.megware.com {107,362,363}
[0] MPI startup(): 72 306109 isix02.benchmarkcenter.megware.com {108,109,364}
[0] MPI startup(): 73 306213 isix02.benchmarkcenter.megware.com {110,365,366}
[0] MPI startup(): 74 306115 isix02.benchmarkcenter.megware.com {111,112,367}
[0] MPI startup(): 75 306128 isix02.benchmarkcenter.megware.com {113,368,369}
[0] MPI startup(): 76 306159 isix02.benchmarkcenter.megware.com {114,115,370}
[0] MPI startup(): 77 306112 isix02.benchmarkcenter.megware.com {116,371,372}
[0] MPI startup(): 78 306203 isix02.benchmarkcenter.megware.com {117,118,373}
[0] MPI startup(): 79 306151 isix02.benchmarkcenter.megware.com {119,374,375}
[0] MPI startup(): 80 306156 isix02.benchmarkcenter.megware.com {120,121,376}
[0] MPI startup(): 81 306102 isix02.benchmarkcenter.megware.com {122,377,378}
[0] MPI startup(): 82 306193 isix02.benchmarkcenter.megware.com {123,124,379}
[0] MPI startup(): 83 306076 isix02.benchmarkcenter.megware.com {125,380,381}
[0] MPI startup(): 84 306124 isix02.benchmarkcenter.megware.com {126,127,382}
[0] MPI startup(): 85 306108 isix02.benchmarkcenter.megware.com {128,383,384}
[0] MPI startup(): 86 306120 isix02.benchmarkcenter.megware.com {129,130,385}
[0] MPI startup(): 87 306098 isix02.benchmarkcenter.megware.com {131,386,387}
[0] MPI startup(): 88 306226 isix02.benchmarkcenter.megware.com {132,133,388}
[0] MPI startup(): 89 306085 isix02.benchmarkcenter.megware.com {134,389,390}
[0] MPI startup(): 90 306157 isix02.benchmarkcenter.megware.com {135,136,391}
[0] MPI startup(): 91 306223 isix02.benchmarkcenter.megware.com {137,392,393}
[0] MPI startup(): 92 306088 isix02.benchmarkcenter.megware.com {138,139,394}
[0] MPI startup(): 93 306127 isix02.benchmarkcenter.megware.com {140,395,396}
[0] MPI startup(): 94 306194 isix02.benchmarkcenter.megware.com {141,142,397}
[0] MPI startup(): 95 306116 isix02.benchmarkcenter.megware.com {143,398,399}
[0] MPI startup(): 96 306174 isix02.benchmarkcenter.megware.com {144,145,400}
[0] MPI startup(): 97 306173 isix02.benchmarkcenter.megware.com {146,401,402}
[0] MPI startup(): 98 306147 isix02.benchmarkcenter.megware.com {147,148,403}
[0] MPI startup(): 99 306161 isix02.benchmarkcenter.megware.com {149,404,405}
[0] MPI startup(): 100 306202 isix02.benchmarkcenter.megware.com {150,151,406}
[0] MPI startup(): 101 306205 isix02.benchmarkcenter.megware.com {152,407,408}
[0] MPI startup(): 102 306169 isix02.benchmarkcenter.megware.com {153,154,409}
[0] MPI startup(): 103 306214 isix02.benchmarkcenter.megware.com {155,410,411}
[0] MPI startup(): 104 306070 isix02.benchmarkcenter.megware.com {156,157,412}
[0] MPI startup(): 105 306172 isix02.benchmarkcenter.megware.com {158,413,414}
[0] MPI startup(): 106 306117 isix02.benchmarkcenter.megware.com {159,160,415}
[0] MPI startup(): 107 306061 isix02.benchmarkcenter.megware.com {161,416,417}
[0] MPI startup(): 108 306133 isix02.benchmarkcenter.megware.com {162,163,418}
[0] MPI startup(): 109 306089 isix02.benchmarkcenter.megware.com {164,419,420}
[0] MPI startup(): 110 306201 isix02.benchmarkcenter.megware.com {165,166,421}
[0] MPI startup(): 111 306131 isix02.benchmarkcenter.megware.com {167,422,423}
[0] MPI startup(): 112 306100 isix02.benchmarkcenter.megware.com {168,169,424}
[0] MPI startup(): 113 306190 isix02.benchmarkcenter.megware.com {170,425,426}
[0] MPI startup(): 114 306103 isix02.benchmarkcenter.megware.com {171,172,427}
[0] MPI startup(): 115 306135 isix02.benchmarkcenter.megware.com {173,428,429}
[0] MPI startup(): 116 306092 isix02.benchmarkcenter.megware.com {174,175,430}
[0] MPI startup(): 117 306225 isix02.benchmarkcenter.megware.com {176,431,432}
[0] MPI startup(): 118 306095 isix02.benchmarkcenter.megware.com {177,178,433}
[0] MPI startup(): 119 306060 isix02.benchmarkcenter.megware.com {179,434,435}
[0] MPI startup(): 120 306090 isix02.benchmarkcenter.megware.com {180,181,436}
[0] MPI startup(): 121 306167 isix02.benchmarkcenter.megware.com {182,437,438}
[0] MPI startup(): 122 306062 isix02.benchmarkcenter.megware.com {183,184,439}
[0] MPI startup(): 123 306123 isix02.benchmarkcenter.megware.com {185,440,441}
[0] MPI startup(): 124 306176 isix02.benchmarkcenter.megware.com {186,187,442}
[0] MPI startup(): 125 306149 isix02.benchmarkcenter.megware.com {188,443,444}
[0] MPI startup(): 126 306066 isix02.benchmarkcenter.megware.com {189,190,445}
[0] MPI startup(): 127 306222 isix02.benchmarkcenter.megware.com {191,446,447}
[0] MPI startup(): 128 306111 isix02.benchmarkcenter.megware.com {192,193,448}
[0] MPI startup(): 129 306068 isix02.benchmarkcenter.megware.com {194,449,450}
[0] MPI startup(): 130 306141 isix02.benchmarkcenter.megware.com {195,196,451}
[0] MPI startup(): 131 306101 isix02.benchmarkcenter.megware.com {197,452,453}
[0] MPI startup(): 132 306179 isix02.benchmarkcenter.megware.com {198,199,454}
[0] MPI startup(): 133 306069 isix02.benchmarkcenter.megware.com {200,455,456}
[0] MPI startup(): 134 306150 isix02.benchmarkcenter.megware.com {201,202,457}
[0] MPI startup(): 135 306210 isix02.benchmarkcenter.megware.com {203,458,459}
[0] MPI startup(): 136 306083 isix02.benchmarkcenter.megware.com {204,205,460}
[0] MPI startup(): 137 306142 isix02.benchmarkcenter.megware.com {206,461,462}
[0] MPI startup(): 138 306221 isix02.benchmarkcenter.megware.com {207,208,463}
[0] MPI startup(): 139 306071 isix02.benchmarkcenter.megware.com {209,464,465}
[0] MPI startup(): 140 306196 isix02.benchmarkcenter.megware.com {210,211,466}
[0] MPI startup(): 141 306219 isix02.benchmarkcenter.megware.com {212,467,468}
[0] MPI startup(): 142 306191 isix02.benchmarkcenter.megware.com {213,214,469}
[0] MPI startup(): 143 306064 isix02.benchmarkcenter.megware.com {215,470,471}
[0] MPI startup(): 144 306187 isix02.benchmarkcenter.megware.com {216,217,472}
[0] MPI startup(): 145 306217 isix02.benchmarkcenter.megware.com {218,473,474}
[0] MPI startup(): 146 306134 isix02.benchmarkcenter.megware.com {219,220,475}
[0] MPI startup(): 147 306099 isix02.benchmarkcenter.megware.com {221,476,477}
[0] MPI startup(): 148 306177 isix02.benchmarkcenter.megware.com {222,223,478}
[0] MPI startup(): 149 306154 isix02.benchmarkcenter.megware.com {224,479,480}
[0] MPI startup(): 150 306119 isix02.benchmarkcenter.megware.com {225,226,481}
[0] MPI startup(): 151 306093 isix02.benchmarkcenter.megware.com {227,482,483}
[0] MPI startup(): 152 306059 isix02.benchmarkcenter.megware.com {228,229,484}
[0] MPI startup(): 153 306126 isix02.benchmarkcenter.megware.com {230,485,486}
[0] MPI startup(): 154 306155 isix02.benchmarkcenter.megware.com {231,232,487}
[0] MPI startup(): 155 306197 isix02.benchmarkcenter.megware.com {233,488,489}
[0] MPI startup(): 156 306166 isix02.benchmarkcenter.megware.com {234,235,490}
[0] MPI startup(): 157 306144 isix02.benchmarkcenter.megware.com {236,491,492}
[0] MPI startup(): 158 306072 isix02.benchmarkcenter.megware.com {237,238,493}
[0] MPI startup(): 159 306096 isix02.benchmarkcenter.megware.com {239,494,495}
[0] MPI startup(): 160 306184 isix02.benchmarkcenter.megware.com {240,241,496}
[0] MPI startup(): 161 306145 isix02.benchmarkcenter.megware.com {242,497,498}
[0] MPI startup(): 162 306216 isix02.benchmarkcenter.megware.com {243,244,499}
[0] MPI startup(): 163 306192 isix02.benchmarkcenter.megware.com {245,500,501}
[0] MPI startup(): 164 306185 isix02.benchmarkcenter.megware.com {246,247,502}
[0] MPI startup(): 165 306138 isix02.benchmarkcenter.megware.com {248,503,504}
[0] MPI startup(): 166 306195 isix02.benchmarkcenter.megware.com {249,250,505}
[0] MPI startup(): 167 306097 isix02.benchmarkcenter.megware.com {251,506,507}
OMP: pid 306078 tid 306078 thread 0 bound to OS proc set {350}
OMP: pid 306224 tid 306224 thread 0 bound to OS proc set {263}
OMP: pid 306220 tid 306220 thread 0 bound to OS proc set {6}
OMP: pid 306135 tid 306135 thread 0 bound to OS proc set {428}
OMP: pid 306085 tid 306085 thread 0 bound to OS proc set {389}
OMP: pid 306210 tid 306210 thread 0 bound to OS proc set {458}
OMP: pid 306126 tid 306126 thread 0 bound to OS proc set {485}
OMP: pid 306109 tid 306109 thread 0 bound to OS proc set {108}
OMP: pid 306071 tid 306071 thread 0 bound to OS proc set {464}
OMP: pid 306062 tid 306062 thread 0 bound to OS proc set {183}
OMP: pid 306115 tid 306115 thread 0 bound to OS proc set {111}
OMP: pid 306130 tid 306130 thread 0 bound to OS proc set {39}
OMP: pid 306206 tid 306206 thread 0 bound to OS proc set {332}
OMP: pid 306104 tid 306104 thread 0 bound to OS proc set {84}
OMP: pid 306207 tid 306207 thread 0 bound to OS proc set {269}
OMP: pid 306133 tid 306133 thread 0 bound to OS proc set {162}
OMP: pid 306188 tid 306188 thread 0 bound to OS proc set {18}
OMP: pid 306175 tid 306175 thread 0 bound to OS proc set {290}
OMP: pid 306196 tid 306196 thread 0 bound to OS proc set {210}
OMP: pid 306193 tid 306193 thread 0 bound to OS proc set {123}
OMP: pid 306161 tid 306161 thread 0 bound to OS proc set {404}
OMP: pid 306172 tid 306172 thread 0 bound to OS proc set {413}
OMP: pid 306121 tid 306121 thread 0 bound to OS proc set {93}
OMP: pid 306125 tid 306125 thread 0 bound to OS proc set {341}
OMP: pid 306118 tid 306118 thread 0 bound to OS proc set {36}
OMP: pid 306108 tid 306108 thread 0 bound to OS proc set {383}
OMP: pid 306067 tid 306067 thread 0 bound to OS proc set {0}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 306088 tid 306088 thread 0 bound to OS proc set {138}
OMP: pid 306141 tid 306141 thread 0 bound to OS proc set {195}
OMP: pid 306120 tid 306120 thread 0 bound to OS proc set {129}
OMP: pid 306132 tid 306132 thread 0 bound to OS proc set {48}
OMP: pid 306216 tid 306216 thread 0 bound to OS proc set {243}
OMP: pid 306081 tid 306081 thread 0 bound to OS proc set {284}
OMP: pid 306204 tid 306204 thread 0 bound to OS proc set {266}
OMP: pid 306186 tid 306186 thread 0 bound to OS proc set {302}
OMP: pid 306101 tid 306101 thread 0 bound to OS proc set {452}
OMP: pid 306164 tid 306164 thread 0 bound to OS proc set {356}
OMP: pid 306070 tid 306070 thread 0 bound to OS proc set {156}
OMP: pid 306202 tid 306202 thread 0 bound to OS proc set {150}
OMP: pid 306058 tid 306058 thread 0 bound to OS proc set {299}
OMP: pid 306163 tid 306163 thread 0 bound to OS proc set {75}
OMP: pid 306138 tid 306138 thread 0 bound to OS proc set {503}
OMP: pid 306057 tid 306057 thread 0 bound to OS proc set {24}
OMP: pid 306096 tid 306096 thread 0 bound to OS proc set {494}
OMP: pid 306091 tid 306091 thread 0 bound to OS proc set {78}
OMP: pid 306075 tid 306075 thread 0 bound to OS proc set {335}
OMP: pid 306213 tid 306213 thread 0 bound to OS proc set {365}
OMP: pid 306162 tid 306162 thread 0 bound to OS proc set {51}
OMP: pid 306165 tid 306165 thread 0 bound to OS proc set {102}
OMP: pid 306182 tid 306182 thread 0 bound to OS proc set {320}
OMP: pid 306059 tid 306059 thread 0 bound to OS proc set {228}
OMP: pid 306203 tid 306203 thread 0 bound to OS proc set {117}
OMP: pid 306066 tid 306066 thread 0 bound to OS proc set {189}
OMP: pid 306087 tid 306087 thread 0 bound to OS proc set {314}
OMP: pid 306124 tid 306124 thread 0 bound to OS proc set {126}
OMP: pid 306145 tid 306145 thread 0 bound to OS proc set {497}
OMP: pid 306154 tid 306154 thread 0 bound to OS proc set {479}
OMP: pid 306195 tid 306195 thread 0 bound to OS proc set {249}
OMP: pid 306129 tid 306129 thread 0 bound to OS proc set {317}
OMP: pid 306076 tid 306076 thread 0 bound to OS proc set {380}
OMP: pid 306142 tid 306142 thread 0 bound to OS proc set {461}
OMP: pid 306174 tid 306174 thread 0 bound to OS proc set {144}
OMP: pid 306112 tid 306112 thread 0 bound to OS proc set {371}
OMP: pid 306211 tid 306211 thread 0 bound to OS proc set {66}
OMP: pid 306082 tid 306082 thread 0 bound to OS proc set {293}
OMP: pid 306149 tid 306149 thread 0 bound to OS proc set {443}
OMP: pid 306150 tid 306150 thread 0 bound to OS proc set {201}
OMP: pid 306069 tid 306069 thread 0 bound to OS proc set {455}
OMP: pid 306143 tid 306143 thread 0 bound to OS proc set {69}
OMP: pid 306215 tid 306215 thread 0 bound to OS proc set {57}
OMP: pid 306223 tid 306223 thread 0 bound to OS proc set {392}
OMP: pid 306060 tid 306060 thread 0 bound to OS proc set {434}
OMP: pid 306065 tid 306065 thread 0 bound to OS proc set {81}
OMP: pid 306107 tid 306107 thread 0 bound to OS proc set {344}
OMP: pid 306131 tid 306131 thread 0 bound to OS proc set {422}
OMP: pid 306063 tid 306063 thread 0 bound to OS proc set {329}
OMP: pid 306073 tid 306073 thread 0 bound to OS proc set {15}
OMP: pid 306105 tid 306105 thread 0 bound to OS proc set {42}
OMP: pid 306181 tid 306181 thread 0 bound to OS proc set {353}
OMP: pid 306152 tid 306152 thread 0 bound to OS proc set {99}
OMP: pid 306113 tid 306113 thread 0 bound to OS proc set {260}
OMP: pid 306055 tid 306055 thread 0 bound to OS proc set {278}
OMP: pid 306187 tid 306187 thread 0 bound to OS proc set {216}
OMP: pid 306192 tid 306192 thread 0 bound to OS proc set {500}
OMP: pid 306167 tid 306167 thread 0 bound to OS proc set {437}
OMP: pid 306148 tid 306148 thread 0 bound to OS proc set {338}
OMP: pid 306156 tid 306156 thread 0 bound to OS proc set {120}
OMP: pid 306092 tid 306092 thread 0 bound to OS proc set {174}
OMP: pid 306221 tid 306221 thread 0 bound to OS proc set {207}
OMP: pid 306064 tid 306064 thread 0 bound to OS proc set {470}
OMP: pid 306191 tid 306191 thread 0 bound to OS proc set {213}
OMP: pid 306097 tid 306097 thread 0 bound to OS proc set {506}
OMP: pid 306134 tid 306134 thread 0 bound to OS proc set {219}
OMP: pid 306219 tid 306219 thread 0 bound to OS proc set {467}
OMP: pid 306136 tid 306136 thread 0 bound to OS proc set {96}
OMP: pid 306205 tid 306205 thread 0 bound to OS proc set {407}
OMP: pid 306116 tid 306116 thread 0 bound to OS proc set {398}
OMP: pid 306068 tid 306068 thread 0 bound to OS proc set {449}
OMP: pid 306084 tid 306084 thread 0 bound to OS proc set {12}
OMP: pid 306198 tid 306198 thread 0 bound to OS proc set {54}
OMP: pid 306111 tid 306111 thread 0 bound to OS proc set {192}
OMP: pid 306089 tid 306089 thread 0 bound to OS proc set {419}
OMP: pid 306086 tid 306086 thread 0 bound to OS proc set {359}
OMP: pid 306102 tid 306102 thread 0 bound to OS proc set {377}
OMP: pid 306184 tid 306184 thread 0 bound to OS proc set {240}
OMP: pid 306222 tid 306222 thread 0 bound to OS proc set {446}
OMP: pid 306185 tid 306185 thread 0 bound to OS proc set {246}
OMP: pid 306169 tid 306169 thread 0 bound to OS proc set {153}
OMP: pid 306117 tid 306117 thread 0 bound to OS proc set {159}
OMP: pid 306106 tid 306106 thread 0 bound to OS proc set {257}
OMP: pid 306098 tid 306098 thread 0 bound to OS proc set {386}
OMP: pid 306218 tid 306218 thread 0 bound to OS proc set {347}
OMP: pid 306083 tid 306083 thread 0 bound to OS proc set {204}
OMP: pid 306079 tid 306079 thread 0 bound to OS proc set {308}
OMP: pid 306139 tid 306139 thread 0 bound to OS proc set {63}
OMP: pid 306123 tid 306123 thread 0 bound to OS proc set {440}
OMP: pid 306114 tid 306114 thread 0 bound to OS proc set {275}
OMP: pid 306074 tid 306074 thread 0 bound to OS proc set {105}
OMP: pid 306103 tid 306103 thread 0 bound to OS proc set {171}
OMP: pid 306176 tid 306176 thread 0 bound to OS proc set {186}
OMP: pid 306170 tid 306170 thread 0 bound to OS proc set {27}
OMP: pid 306144 tid 306144 thread 0 bound to OS proc set {491}
OMP: pid 306119 tid 306119 thread 0 bound to OS proc set {225}
OMP: pid 306158 tid 306158 thread 0 bound to OS proc set {311}
OMP: pid 306153 tid 306153 thread 0 bound to OS proc set {87}
OMP: pid 306099 tid 306099 thread 0 bound to OS proc set {476}
OMP: pid 306200 tid 306200 thread 0 bound to OS proc set {33}
OMP: pid 306095 tid 306095 thread 0 bound to OS proc set {177}
OMP: pid 306199 tid 306199 thread 0 bound to OS proc set {90}
OMP: pid 306110 tid 306110 thread 0 bound to OS proc set {72}
OMP: pid 306209 tid 306209 thread 0 bound to OS proc set {326}
OMP: pid 306217 tid 306217 thread 0 bound to OS proc set {473}
OMP: pid 306140 tid 306140 thread 0 bound to OS proc set {3}
OMP: pid 306157 tid 306157 thread 0 bound to OS proc set {135}
OMP: pid 306197 tid 306197 thread 0 bound to OS proc set {488}
OMP: pid 306155 tid 306155 thread 0 bound to OS proc set {231}
OMP: pid 306212 tid 306212 thread 0 bound to OS proc set {362}
OMP: pid 306146 tid 306146 thread 0 bound to OS proc set {305}
OMP: pid 306189 tid 306189 thread 0 bound to OS proc set {281}
OMP: pid 306208 tid 306208 thread 0 bound to OS proc set {30}
OMP: pid 306166 tid 306166 thread 0 bound to OS proc set {234}
OMP: pid 306128 tid 306128 thread 0 bound to OS proc set {368}
OMP: pid 306173 tid 306173 thread 0 bound to OS proc set {401}
OMP: pid 306214 tid 306214 thread 0 bound to OS proc set {410}
OMP: pid 306190 tid 306190 thread 0 bound to OS proc set {425}
OMP: pid 306056 tid 306056 thread 0 bound to OS proc set {60}
OMP: pid 306093 tid 306093 thread 0 bound to OS proc set {482}
OMP: pid 306194 tid 306194 thread 0 bound to OS proc set {141}
OMP: pid 306225 tid 306225 thread 0 bound to OS proc set {431}
OMP: pid 306168 tid 306168 thread 0 bound to OS proc set {296}
OMP: pid 306122 tid 306122 thread 0 bound to OS proc set {45}
OMP: pid 306178 tid 306178 thread 0 bound to OS proc set {323}
OMP: pid 306201 tid 306201 thread 0 bound to OS proc set {165}
OMP: pid 306080 tid 306080 thread 0 bound to OS proc set {9}
OMP: pid 306100 tid 306100 thread 0 bound to OS proc set {168}
OMP: pid 306177 tid 306177 thread 0 bound to OS proc set {222}
OMP: pid 306072 tid 306072 thread 0 bound to OS proc set {237}
OMP: pid 306127 tid 306127 thread 0 bound to OS proc set {395}
OMP: pid 306159 tid 306159 thread 0 bound to OS proc set {114}
OMP: pid 306151 tid 306151 thread 0 bound to OS proc set {374}
OMP: pid 306183 tid 306183 thread 0 bound to OS proc set {21}
OMP: pid 306147 tid 306147 thread 0 bound to OS proc set {147}
OMP: pid 306090 tid 306090 thread 0 bound to OS proc set {180}
OMP: pid 306171 tid 306171 thread 0 bound to OS proc set {272}
OMP: pid 306226 tid 306226 thread 0 bound to OS proc set {132}
OMP: pid 306160 tid 306160 thread 0 bound to OS proc set {287}
OMP: pid 306061 tid 306061 thread 0 bound to OS proc set {416}
OMP: pid 306179 tid 306179 thread 0 bound to OS proc set {198}
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)
7 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 = 0.082 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1663 | 1702 | 1754 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.74085 on 168 procs for 10 steps with 32768000 atoms
Performance: 2.482 ns/day, 9.671 hours/ns, 5.744 timesteps/s, 188.230 Matom-step/s
61.2% CPU use with 168 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.999 | 1.1287 | 1.2213 | 5.0 | 64.84
Neigh | 0.043998 | 0.046576 | 0.055496 | 0.6 | 2.68
Comm | 0.18902 | 0.28253 | 0.38889 | 9.7 | 16.23
Output | 0.027804 | 0.033308 | 0.039092 | 1.6 | 1.91
Modify | 0.17477 | 0.20255 | 0.24328 | 2.8 | 11.64
Other | | 0.04714 | | | 2.71
Nlocal: 195048 ave 196955 max 192857 min
Histogram: 24 0 16 0 48 16 0 32 0 32
Nghost: 60301 ave 61773 max 58825 min
Histogram: 32 12 4 22 11 15 0 40 12 20
Neighs: 7.34194e+06 ave 7.44753e+06 max 7.25865e+06 min
Histogram: 24 7 33 2 30 24 16 15 1 16
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1663 | 1702 | 1754 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74786 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84597 -1.1257917e+08 0 -1.0919981e+08 51536.934
500 797.7245 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 44.0417 on 168 procs for 500 steps with 32768000 atoms
Performance: 4.904 ns/day, 4.894 hours/ns, 11.353 timesteps/s, 372.011 Matom-step/s
98.9% CPU use with 168 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 29.094 | 30.372 | 33.214 | 11.1 | 68.96
Neigh | 3.2784 | 3.5043 | 3.9101 | 5.0 | 7.96
Comm | 4.182 | 6.5012 | 8.8396 | 31.2 | 14.76
Output | 0.030261 | 0.047495 | 0.070834 | 5.5 | 0.11
Modify | 1.3926 | 2.5245 | 3.2824 | 22.8 | 5.73
Other | | 1.092 | | | 2.48
Nlocal: 195048 ave 197194 max 192437 min
Histogram: 9 14 4 14 24 39 14 19 10 21
Nghost: 60195.2 ave 62304 max 58584 min
Histogram: 19 24 7 25 19 16 31 22 3 2
Neighs: 7.36248e+06 ave 7.48119e+06 max 7.26242e+06 min
Histogram: 12 13 30 14 29 25 14 15 7 9
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747092
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:47
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_5 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 192 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 309977 isix02.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 310137 isix02.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 310116 isix02.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 310171 isix02.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 309975 isix02.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 310048 isix02.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 310047 isix02.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 310100 isix02.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 310098 isix02.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 310164 isix02.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 310118 isix02.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 310036 isix02.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 310129 isix02.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 309987 isix02.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 310132 isix02.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 310148 isix02.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 310109 isix02.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 310053 isix02.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 310052 isix02.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 310019 isix02.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 309982 isix02.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 310045 isix02.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 310158 isix02.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 310043 isix02.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 310038 isix02.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 310046 isix02.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 310013 isix02.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 310147 isix02.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 310081 isix02.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 310160 isix02.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 310012 isix02.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 310030 isix02.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 310110 isix02.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 310111 isix02.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 310119 isix02.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 310035 isix02.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 310090 isix02.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 310044 isix02.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 310001 isix02.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 310163 isix02.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 310002 isix02.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 310154 isix02.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 310142 isix02.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 310128 isix02.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 310089 isix02.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 310062 isix02.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 310088 isix02.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 310083 isix02.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 310167 isix02.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 310156 isix02.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 310061 isix02.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 310032 isix02.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 310094 isix02.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 310123 isix02.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 310037 isix02.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 309995 isix02.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 310058 isix02.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 309998 isix02.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 310165 isix02.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 310082 isix02.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 310136 isix02.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 310141 isix02.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 310042 isix02.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 310166 isix02.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 310168 isix02.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 310145 isix02.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 310074 isix02.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 310169 isix02.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 310055 isix02.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 310065 isix02.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 310064 isix02.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 310033 isix02.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 310054 isix02.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 309997 isix02.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 310112 isix02.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 310101 isix02.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 310073 isix02.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 310104 isix02.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 310017 isix02.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 310018 isix02.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 310049 isix02.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 310050 isix02.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 309993 isix02.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 310034 isix02.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 310056 isix02.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 309976 isix02.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 310006 isix02.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 310127 isix02.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 310159 isix02.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 309983 isix02.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 310121 isix02.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 309991 isix02.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 310079 isix02.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 310004 isix02.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 310011 isix02.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 310066 isix02.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 310000 isix02.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 310069 isix02.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 310096 isix02.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 309996 isix02.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 310143 isix02.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 310149 isix02.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 310126 isix02.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 310008 isix02.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 309989 isix02.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 309990 isix02.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 310007 isix02.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 310097 isix02.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 310122 isix02.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 310084 isix02.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 310144 isix02.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 310005 isix02.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 310085 isix02.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 310031 isix02.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 310092 isix02.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 310152 isix02.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 310067 isix02.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 310093 isix02.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 310014 isix02.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 310029 isix02.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 310015 isix02.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 309984 isix02.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 310016 isix02.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 310106 isix02.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 310131 isix02.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 310027 isix02.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 310078 isix02.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 310025 isix02.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 310057 isix02.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 310161 isix02.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 309994 isix02.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 310107 isix02.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 310075 isix02.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 310010 isix02.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 310130 isix02.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 310150 isix02.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 310124 isix02.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 310040 isix02.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 310146 isix02.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 310139 isix02.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 310091 isix02.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 310060 isix02.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 309978 isix02.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 309985 isix02.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 310151 isix02.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 310113 isix02.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 310162 isix02.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 310115 isix02.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 310022 isix02.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 310153 isix02.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 310072 isix02.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 310077 isix02.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 310120 isix02.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 310068 isix02.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 310059 isix02.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 310041 isix02.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 310133 isix02.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 310117 isix02.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 310102 isix02.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 310080 isix02.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 310024 isix02.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 310023 isix02.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 309986 isix02.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 310103 isix02.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 310157 isix02.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 310108 isix02.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 310138 isix02.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 310155 isix02.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 310170 isix02.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 310051 isix02.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 310021 isix02.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 309988 isix02.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 310076 isix02.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 309992 isix02.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 310134 isix02.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 309981 isix02.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 310125 isix02.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 310009 isix02.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 310099 isix02.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 310114 isix02.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 310135 isix02.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 310140 isix02.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 310070 isix02.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 310087 isix02.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 310086 isix02.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 310028 isix02.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 310063 isix02.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 310071 isix02.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 310026 isix02.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 310095 isix02.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 309999 isix02.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 310039 isix02.benchmarkcenter.megware.com {191,447}
OMP: pid 310135 tid 310135 thread 0 bound to OS proc set {180}
OMP: pid 310099 tid 310099 thread 0 bound to OS proc set {178}
OMP: pid 310153 tid 310153 thread 0 bound to OS proc set {149}
OMP: pid 310139 tid 310139 thread 0 bound to OS proc set {139}
OMP: pid 309986 tid 309986 thread 0 bound to OS proc set {162}
OMP: pid 309981 tid 309981 thread 0 bound to OS proc set {175}
OMP: pid 310040 tid 310040 thread 0 bound to OS proc set {137}
OMP: pid 310125 tid 310125 thread 0 bound to OS proc set {176}
OMP: pid 309978 tid 309978 thread 0 bound to OS proc set {142}
OMP: pid 310115 tid 310115 thread 0 bound to OS proc set {147}
OMP: pid 310031 tid 310031 thread 0 bound to OS proc set {113}
OMP: pid 309995 tid 309995 thread 0 bound to OS proc set {55}
OMP: pid 310046 tid 310046 thread 0 bound to OS proc set {25}
OMP: pid 310070 tid 310070 thread 0 bound to OS proc set {182}
OMP: pid 310116 tid 310116 thread 0 bound to OS proc set {2}
OMP: pid 310033 tid 310033 thread 0 bound to OS proc set {71}
OMP: pid 310142 tid 310142 thread 0 bound to OS proc set {42}
OMP: pid 310092 tid 310092 thread 0 bound to OS proc set {114}
OMP: pid 310117 tid 310117 thread 0 bound to OS proc set {157}
OMP: pid 310147 tid 310147 thread 0 bound to OS proc set {27}
OMP: pid 310036 tid 310036 thread 0 bound to OS proc set {11}
OMP: pid 310076 tid 310076 thread 0 bound to OS proc set {172}
OMP: pid 310073 tid 310073 thread 0 bound to OS proc set {76}
OMP: pid 310051 tid 310051 thread 0 bound to OS proc set {169}
OMP: pid 309988 tid 309988 thread 0 bound to OS proc set {171}
OMP: pid 310095 tid 310095 thread 0 bound to OS proc set {189}
OMP: pid 310152 tid 310152 thread 0 bound to OS proc set {115}
OMP: pid 310048 tid 310048 thread 0 bound to OS proc set {5}
OMP: pid 310170 tid 310170 thread 0 bound to OS proc set {168}
OMP: pid 310059 tid 310059 thread 0 bound to OS proc set {154}
OMP: pid 310162 tid 310162 thread 0 bound to OS proc set {146}
OMP: pid 310121 tid 310121 thread 0 bound to OS proc set {90}
OMP: pid 310167 tid 310167 thread 0 bound to OS proc set {48}
OMP: pid 310155 tid 310155 thread 0 bound to OS proc set {167}
OMP: pid 310087 tid 310087 thread 0 bound to OS proc set {183}
OMP: pid 310165 tid 310165 thread 0 bound to OS proc set {58}
OMP: pid 310057 tid 310057 thread 0 bound to OS proc set {128}
OMP: pid 309991 tid 309991 thread 0 bound to OS proc set {91}
OMP: pid 310065 tid 310065 thread 0 bound to OS proc set {69}
OMP: pid 310019 tid 310019 thread 0 bound to OS proc set {19}
OMP: pid 310066 tid 310066 thread 0 bound to OS proc set {95}
OMP: pid 310138 tid 310138 thread 0 bound to OS proc set {166}
OMP: pid 310158 tid 310158 thread 0 bound to OS proc set {22}
OMP: pid 310001 tid 310001 thread 0 bound to OS proc set {38}
OMP: pid 310114 tid 310114 thread 0 bound to OS proc set {179}
OMP: pid 310086 tid 310086 thread 0 bound to OS proc set {184}
OMP: pid 310107 tid 310107 thread 0 bound to OS proc set {131}
OMP: pid 309976 tid 309976 thread 0 bound to OS proc set {85}
OMP: pid 310056 tid 310056 thread 0 bound to OS proc set {84}
OMP: pid 310124 tid 310124 thread 0 bound to OS proc set {136}
OMP: pid 310075 tid 310075 thread 0 bound to OS proc set {132}
OMP: pid 310008 tid 310008 thread 0 bound to OS proc set {103}
OMP: pid 310103 tid 310103 thread 0 bound to OS proc set {163}
OMP: pid 310108 tid 310108 thread 0 bound to OS proc set {165}
OMP: pid 310149 tid 310149 thread 0 bound to OS proc set {101}
OMP: pid 310132 tid 310132 thread 0 bound to OS proc set {14}
OMP: pid 310047 tid 310047 thread 0 bound to OS proc set {6}
OMP: pid 310034 tid 310034 thread 0 bound to OS proc set {83}
OMP: pid 309992 tid 309992 thread 0 bound to OS proc set {173}
OMP: pid 310026 tid 310026 thread 0 bound to OS proc set {188}
OMP: pid 310061 tid 310061 thread 0 bound to OS proc set {50}
OMP: pid 310133 tid 310133 thread 0 bound to OS proc set {156}
OMP: pid 310151 tid 310151 thread 0 bound to OS proc set {144}
OMP: pid 310030 tid 310030 thread 0 bound to OS proc set {31}
OMP: pid 310102 tid 310102 thread 0 bound to OS proc set {158}
OMP: pid 310011 tid 310011 thread 0 bound to OS proc set {94}
OMP: pid 310113 tid 310113 thread 0 bound to OS proc set {145}
OMP: pid 310130 tid 310130 thread 0 bound to OS proc set {134}
OMP: pid 310161 tid 310161 thread 0 bound to OS proc set {129}
OMP: pid 310007 tid 310007 thread 0 bound to OS proc set {106}
OMP: pid 310014 tid 310014 thread 0 bound to OS proc set {118}
OMP: pid 310131 tid 310131 thread 0 bound to OS proc set {124}
OMP: pid 310119 tid 310119 thread 0 bound to OS proc set {34}
OMP: pid 310080 tid 310080 thread 0 bound to OS proc set {159}
OMP: pid 310097 tid 310097 thread 0 bound to OS proc set {107}
OMP: pid 310058 tid 310058 thread 0 bound to OS proc set {56}
OMP: pid 309984 tid 309984 thread 0 bound to OS proc set {121}
OMP: pid 310042 tid 310042 thread 0 bound to OS proc set {62}
OMP: pid 310146 tid 310146 thread 0 bound to OS proc set {138}
OMP: pid 310063 tid 310063 thread 0 bound to OS proc set {186}
OMP: pid 310028 tid 310028 thread 0 bound to OS proc set {185}
OMP: pid 310024 tid 310024 thread 0 bound to OS proc set {160}
OMP: pid 310035 tid 310035 thread 0 bound to OS proc set {35}
OMP: pid 310025 tid 310025 thread 0 bound to OS proc set {127}
OMP: pid 310118 tid 310118 thread 0 bound to OS proc set {10}
OMP: pid 310094 tid 310094 thread 0 bound to OS proc set {52}
OMP: pid 310082 tid 310082 thread 0 bound to OS proc set {59}
OMP: pid 310045 tid 310045 thread 0 bound to OS proc set {21}
OMP: pid 310081 tid 310081 thread 0 bound to OS proc set {28}
OMP: pid 309994 tid 309994 thread 0 bound to OS proc set {130}
OMP: pid 310071 tid 310071 thread 0 bound to OS proc set {187}
OMP: pid 310039 tid 310039 thread 0 bound to OS proc set {191}
OMP: pid 310084 tid 310084 thread 0 bound to OS proc set {109}
OMP: pid 310078 tid 310078 thread 0 bound to OS proc set {126}
OMP: pid 309990 tid 309990 thread 0 bound to OS proc set {105}
OMP: pid 310159 tid 310159 thread 0 bound to OS proc set {88}
OMP: pid 310085 tid 310085 thread 0 bound to OS proc set {112}
OMP: pid 310000 tid 310000 thread 0 bound to OS proc set {96}
OMP: pid 310029 tid 310029 thread 0 bound to OS proc set {119}
OMP: pid 309999 tid 309999 thread 0 bound to OS proc set {190}
OMP: pid 310140 tid 310140 thread 0 bound to OS proc set {181}
OMP: pid 310169 tid 310169 thread 0 bound to OS proc set {67}
OMP: pid 310091 tid 310091 thread 0 bound to OS proc set {140}
OMP: pid 309985 tid 309985 thread 0 bound to OS proc set {143}
OMP: pid 310134 tid 310134 thread 0 bound to OS proc set {174}
OMP: pid 310104 tid 310104 thread 0 bound to OS proc set {77}
OMP: pid 310110 tid 310110 thread 0 bound to OS proc set {32}
OMP: pid 310150 tid 310150 thread 0 bound to OS proc set {135}
OMP: pid 310060 tid 310060 thread 0 bound to OS proc set {141}
OMP: pid 310079 tid 310079 thread 0 bound to OS proc set {92}
OMP: pid 310074 tid 310074 thread 0 bound to OS proc set {66}
OMP: pid 310067 tid 310067 thread 0 bound to OS proc set {116}
OMP: pid 309983 tid 309983 thread 0 bound to OS proc set {89}
OMP: pid 310120 tid 310120 thread 0 bound to OS proc set {152}
OMP: pid 310023 tid 310023 thread 0 bound to OS proc set {161}
OMP: pid 310041 tid 310041 thread 0 bound to OS proc set {155}
OMP: pid 310038 tid 310038 thread 0 bound to OS proc set {24}
OMP: pid 310168 tid 310168 thread 0 bound to OS proc set {64}
OMP: pid 310096 tid 310096 thread 0 bound to OS proc set {98}
OMP: pid 310004 tid 310004 thread 0 bound to OS proc set {93}
OMP: pid 310062 tid 310062 thread 0 bound to OS proc set {45}
OMP: pid 310077 tid 310077 thread 0 bound to OS proc set {151}
OMP: pid 310017 tid 310017 thread 0 bound to OS proc set {78}
OMP: pid 310163 tid 310163 thread 0 bound to OS proc set {39}
OMP: pid 310005 tid 310005 thread 0 bound to OS proc set {111}
OMP: pid 310083 tid 310083 thread 0 bound to OS proc set {47}
OMP: pid 310166 tid 310166 thread 0 bound to OS proc set {63}
OMP: pid 310050 tid 310050 thread 0 bound to OS proc set {81}
OMP: pid 310123 tid 310123 thread 0 bound to OS proc set {53}
OMP: pid 310064 tid 310064 thread 0 bound to OS proc set {70}
OMP: pid 310100 tid 310100 thread 0 bound to OS proc set {7}
OMP: pid 310143 tid 310143 thread 0 bound to OS proc set {100}
OMP: pid 310009 tid 310009 thread 0 bound to OS proc set {177}
OMP: pid 310049 tid 310049 thread 0 bound to OS proc set {80}
OMP: pid 310006 tid 310006 thread 0 bound to OS proc set {86}
OMP: pid 310021 tid 310021 thread 0 bound to OS proc set {170}
OMP: pid 310022 tid 310022 thread 0 bound to OS proc set {148}
OMP: pid 310002 tid 310002 thread 0 bound to OS proc set {40}
OMP: pid 309993 tid 309993 thread 0 bound to OS proc set {82}
OMP: pid 310068 tid 310068 thread 0 bound to OS proc set {153}
OMP: pid 310053 tid 310053 thread 0 bound to OS proc set {17}
OMP: pid 309997 tid 309997 thread 0 bound to OS proc set {73}
OMP: pid 310106 tid 310106 thread 0 bound to OS proc set {123}
OMP: pid 310101 tid 310101 thread 0 bound to OS proc set {75}
OMP: pid 310055 tid 310055 thread 0 bound to OS proc set {68}
OMP: pid 310069 tid 310069 thread 0 bound to OS proc set {97}
OMP: pid 310164 tid 310164 thread 0 bound to OS proc set {9}
OMP: pid 310137 tid 310137 thread 0 bound to OS proc set {1}
OMP: pid 310015 tid 310015 thread 0 bound to OS proc set {120}
OMP: pid 309996 tid 309996 thread 0 bound to OS proc set {99}
OMP: pid 310129 tid 310129 thread 0 bound to OS proc set {12}
OMP: pid 310157 tid 310157 thread 0 bound to OS proc set {164}
OMP: pid 310012 tid 310012 thread 0 bound to OS proc set {30}
OMP: pid 310136 tid 310136 thread 0 bound to OS proc set {60}
OMP: pid 310072 tid 310072 thread 0 bound to OS proc set {150}
OMP: pid 309977 tid 309977 thread 0 bound to OS proc set {0}
OMP: pid 310016 tid 310016 thread 0 bound to OS proc set {122}
OMP: pid 310013 tid 310013 thread 0 bound to OS proc set {26}
OMP: pid 309982 tid 309982 thread 0 bound to OS proc set {20}
OMP: pid 310154 tid 310154 thread 0 bound to OS proc set {41}
OMP: pid 310141 tid 310141 thread 0 bound to OS proc set {61}
OMP: pid 310144 tid 310144 thread 0 bound to OS proc set {110}
OMP: pid 310052 tid 310052 thread 0 bound to OS proc set {18}
OMP: pid 309998 tid 309998 thread 0 bound to OS proc set {57}
OMP: pid 309989 tid 309989 thread 0 bound to OS proc set {104}
OMP: pid 310027 tid 310027 thread 0 bound to OS proc set {125}
OMP: pid 310171 tid 310171 thread 0 bound to OS proc set {3}
OMP: pid 310122 tid 310122 thread 0 bound to OS proc set {108}
OMP: pid 310018 tid 310018 thread 0 bound to OS proc set {79}
OMP: pid 309975 tid 309975 thread 0 bound to OS proc set {4}
OMP: pid 310044 tid 310044 thread 0 bound to OS proc set {37}
OMP: pid 310098 tid 310098 thread 0 bound to OS proc set {8}
OMP: pid 310054 tid 310054 thread 0 bound to OS proc set {72}
OMP: pid 310037 tid 310037 thread 0 bound to OS proc set {54}
OMP: pid 310032 tid 310032 thread 0 bound to OS proc set {51}
OMP: pid 310010 tid 310010 thread 0 bound to OS proc set {133}
OMP: pid 310156 tid 310156 thread 0 bound to OS proc set {49}
OMP: pid 310093 tid 310093 thread 0 bound to OS proc set {117}
OMP: pid 309987 tid 309987 thread 0 bound to OS proc set {13}
OMP: pid 310112 tid 310112 thread 0 bound to OS proc set {74}
OMP: pid 310111 tid 310111 thread 0 bound to OS proc set {33}
OMP: pid 310088 tid 310088 thread 0 bound to OS proc set {46}
OMP: pid 310090 tid 310090 thread 0 bound to OS proc set {36}
OMP: pid 310128 tid 310128 thread 0 bound to OS proc set {43}
OMP: pid 310089 tid 310089 thread 0 bound to OS proc set {44}
OMP: pid 310145 tid 310145 thread 0 bound to OS proc set {65}
OMP: pid 310148 tid 310148 thread 0 bound to OS proc set {15}
OMP: pid 310043 tid 310043 thread 0 bound to OS proc set {23}
OMP: pid 310160 tid 310160 thread 0 bound to OS proc set {29}
OMP: pid 310126 tid 310126 thread 0 bound to OS proc set {102}
OMP: pid 310109 tid 310109 thread 0 bound to OS proc set {16}
OMP: pid 310127 tid 310127 thread 0 bound to OS proc set {87}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.615 3.615 3.615
Created orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
8 by 4 by 6 MPI processor grid
Created 32768000 atoms
using lattice units in orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
create_atoms CPU = 0.032 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1445 | 1490 | 1544 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.36178 on 192 procs for 10 steps with 32768000 atoms
Performance: 3.172 ns/day, 7.565 hours/ns, 7.343 timesteps/s, 240.627 Matom-step/s
74.0% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.78613 | 0.92967 | 1.0423 | 5.2 | 68.27
Neigh | 0.031134 | 0.041487 | 0.049466 | 1.7 | 3.05
Comm | 0.16318 | 0.25803 | 0.42471 | 10.7 | 18.95
Output | 0.018915 | 0.022657 | 0.030214 | 1.5 | 1.66
Modify | 0.036002 | 0.066681 | 0.098287 | 4.5 | 4.90
Other | | 0.04325 | | | 3.18
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: 6.4242e+06 ave 6.47799e+06 max 6.37962e+06 min
Histogram: 64 0 1 56 7 0 0 0 2 62
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1445 | 1490 | 1544 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.824
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84599 -1.1257917e+08 0 -1.0919981e+08 51536.933
500 797.72449 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68252 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 47.4789 on 192 procs for 500 steps with 32768000 atoms
Performance: 4.549 ns/day, 5.275 hours/ns, 10.531 timesteps/s, 345.080 Matom-step/s
98.9% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 28.435 | 31.153 | 34.158 | 17.4 | 65.61
Neigh | 2.6631 | 3.6445 | 4.3306 | 17.7 | 7.68
Comm | 5.1973 | 7.1298 | 12.277 | 69.3 | 15.02
Output | 0.034757 | 0.064729 | 0.092625 | 5.4 | 0.14
Modify | 2.1373 | 4.1264 | 5.4348 | 43.2 | 8.69
Other | | 1.36 | | | 2.87
Nlocal: 170667 ave 171684 max 169135 min
Histogram: 5 32 24 3 0 0 10 44 58 16
Nghost: 55896.6 ave 56661 max 55274 min
Histogram: 5 9 23 43 38 38 24 6 4 2
Neighs: 6.44217e+06 ave 6.50591e+06 max 6.38057e+06 min
Histogram: 8 35 22 20 34 9 0 10 27 27
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747091
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:50
[MAQAO] Info: 84/192 lprof instances finished
[MAQAO] Info: 87/192 lprof instances finished
[MAQAO] Info: 89/192 lprof instances finished
[MAQAO] Info: 92/192 lprof instances finished
[MAQAO] Info: 98/192 lprof instances finished
[MAQAO] Info: 113/192 lprof instances finished
[MAQAO] Info: 183/192 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_6 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 216 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 313849 isix02.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 313806 isix02.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 313948 isix02.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 313972 isix02.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 313890 isix02.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 313944 isix02.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 313867 isix02.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 313921 isix02.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 313982 isix02.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 313822 isix02.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 313763 isix02.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 313798 isix02.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 313789 isix02.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 313891 isix02.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 313969 isix02.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 313951 isix02.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 313976 isix02.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 313804 isix02.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 313932 isix02.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 313941 isix02.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 313857 isix02.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 313913 isix02.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 313887 isix02.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 313947 isix02.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 313922 isix02.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 313908 isix02.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 313905 isix02.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 313961 isix02.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 313973 isix02.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 313803 isix02.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 313977 isix02.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 313863 isix02.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 313782 isix02.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 313981 isix02.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 313805 isix02.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 313939 isix02.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 313920 isix02.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 313780 isix02.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 313926 isix02.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 313884 isix02.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 313912 isix02.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 313878 isix02.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 313823 isix02.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 313925 isix02.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 313933 isix02.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 313839 isix02.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 313786 isix02.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 313938 isix02.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 313788 isix02.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 313810 isix02.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 313894 isix02.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 313795 isix02.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 313942 isix02.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 313769 isix02.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 313845 isix02.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 313907 isix02.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 313940 isix02.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 313880 isix02.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 313794 isix02.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 313801 isix02.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 313825 isix02.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 313800 isix02.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 313960 isix02.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 313962 isix02.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 313787 isix02.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 313796 isix02.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 313906 isix02.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 313821 isix02.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 313846 isix02.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 313899 isix02.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 313865 isix02.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 313898 isix02.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 313771 isix02.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 313853 isix02.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 313779 isix02.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 313807 isix02.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 313781 isix02.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 313826 isix02.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 313886 isix02.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 313816 isix02.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 313879 isix02.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 313831 isix02.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 313766 isix02.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 313956 isix02.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 313847 isix02.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 313901 isix02.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 313881 isix02.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 313861 isix02.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 313812 isix02.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 313829 isix02.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 313966 isix02.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 313888 isix02.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 313935 isix02.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 313815 isix02.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 313814 isix02.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 313808 isix02.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 313882 isix02.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 313836 isix02.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 313971 isix02.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 313819 isix02.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 313949 isix02.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 313832 isix02.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 313767 isix02.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 313919 isix02.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 313851 isix02.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 313813 isix02.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 313872 isix02.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 313953 isix02.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 313862 isix02.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 313931 isix02.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 313848 isix02.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 313877 isix02.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 313885 isix02.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 313802 isix02.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 313817 isix02.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 313820 isix02.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 313793 isix02.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 313811 isix02.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 313775 isix02.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 313866 isix02.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 313967 isix02.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 313980 isix02.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 313859 isix02.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 313934 isix02.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 313900 isix02.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 313844 isix02.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 313873 isix02.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 313904 isix02.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 313858 isix02.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 313790 isix02.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 313764 isix02.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 313970 isix02.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 313959 isix02.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 313797 isix02.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 313893 isix02.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 313958 isix02.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 313773 isix02.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 313842 isix02.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 313946 isix02.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 313930 isix02.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 313809 isix02.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 313856 isix02.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 313943 isix02.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 313827 isix02.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 313834 isix02.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 313772 isix02.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 313828 isix02.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 313783 isix02.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 313964 isix02.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 313957 isix02.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 313937 isix02.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 313929 isix02.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 313975 isix02.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 313774 isix02.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 313911 isix02.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 313927 isix02.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 313928 isix02.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 313914 isix02.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 313835 isix02.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 313923 isix02.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 313968 isix02.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 313889 isix02.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 313778 isix02.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 313768 isix02.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 313945 isix02.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 313770 isix02.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 313871 isix02.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 313896 isix02.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 313955 isix02.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 313892 isix02.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 313843 isix02.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 313875 isix02.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 313936 isix02.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 313837 isix02.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 313910 isix02.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 313791 isix02.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 313824 isix02.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 313965 isix02.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 313978 isix02.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 313952 isix02.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 313870 isix02.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 313903 isix02.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 313799 isix02.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 313979 isix02.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 313776 isix02.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 313895 isix02.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 313916 isix02.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 313874 isix02.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 313864 isix02.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 313850 isix02.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 313833 isix02.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 313792 isix02.benchmarkcenter.megware.com {191,447}
[0] MPI startup(): 192 313883 isix02.benchmarkcenter.megware.com {192,448}
[0] MPI startup(): 193 313876 isix02.benchmarkcenter.megware.com {193,449}
[0] MPI startup(): 194 313777 isix02.benchmarkcenter.megware.com {194,450}
[0] MPI startup(): 195 313860 isix02.benchmarkcenter.megware.com {195,451}
[0] MPI startup(): 196 313924 isix02.benchmarkcenter.megware.com {196,452}
[0] MPI startup(): 197 313785 isix02.benchmarkcenter.megware.com {197,453}
[0] MPI startup(): 198 313954 isix02.benchmarkcenter.megware.com {198,454}
[0] MPI startup(): 199 313915 isix02.benchmarkcenter.megware.com {199,455}
[0] MPI startup(): 200 313765 isix02.benchmarkcenter.megware.com {200,456}
[0] MPI startup(): 201 313838 isix02.benchmarkcenter.megware.com {201,457}
[0] MPI startup(): 202 313897 isix02.benchmarkcenter.megware.com {202,458}
[0] MPI startup(): 203 313963 isix02.benchmarkcenter.megware.com {203,459}
[0] MPI startup(): 204 313909 isix02.benchmarkcenter.megware.com {204,460}
[0] MPI startup(): 205 313950 isix02.benchmarkcenter.megware.com {205,461}
[0] MPI startup(): 206 313869 isix02.benchmarkcenter.megware.com {206,462}
[0] MPI startup(): 207 313854 isix02.benchmarkcenter.megware.com {207,463}
[0] MPI startup(): 208 313830 isix02.benchmarkcenter.megware.com {208,464}
[0] MPI startup(): 209 313852 isix02.benchmarkcenter.megware.com {209,465}
[0] MPI startup(): 210 313868 isix02.benchmarkcenter.megware.com {210,466}
[0] MPI startup(): 211 313974 isix02.benchmarkcenter.megware.com {211,467}
[0] MPI startup(): 212 313784 isix02.benchmarkcenter.megware.com {212,468}
[0] MPI startup(): 213 313840 isix02.benchmarkcenter.megware.com {213,469}
[0] MPI startup(): 214 313918 isix02.benchmarkcenter.megware.com {214,470}
[0] MPI startup(): 215 313841 isix02.benchmarkcenter.megware.com {215,471}
OMP: pid 313875 tid 313875 thread 0 bound to OS proc set {171}
OMP: pid 313860 tid 313860 thread 0 bound to OS proc set {195}
OMP: pid 313925 tid 313925 thread 0 bound to OS proc set {43}
OMP: pid 313863 tid 313863 thread 0 bound to OS proc set {31}
OMP: pid 313837 tid 313837 thread 0 bound to OS proc set {173}
OMP: pid 313933 tid 313933 thread 0 bound to OS proc set {44}
OMP: pid 313966 tid 313966 thread 0 bound to OS proc set {90}
OMP: pid 313826 tid 313826 thread 0 bound to OS proc set {77}
OMP: pid 313901 tid 313901 thread 0 bound to OS proc set {85}
OMP: pid 313842 tid 313842 thread 0 bound to OS proc set {137}
OMP: pid 313841 tid 313841 thread 0 bound to OS proc set {215}
OMP: pid 313935 tid 313935 thread 0 bound to OS proc set {92}
OMP: pid 313882 tid 313882 thread 0 bound to OS proc set {96}
OMP: pid 313961 tid 313961 thread 0 bound to OS proc set {27}
OMP: pid 313914 tid 313914 thread 0 bound to OS proc set {157}
OMP: pid 313769 tid 313769 thread 0 bound to OS proc set {53}
OMP: pid 313767 tid 313767 thread 0 bound to OS proc set {102}
OMP: pid 313835 tid 313835 thread 0 bound to OS proc set {158}
OMP: pid 313881 tid 313881 thread 0 bound to OS proc set {86}
OMP: pid 313763 tid 313763 thread 0 bound to OS proc set {10}
OMP: pid 313920 tid 313920 thread 0 bound to OS proc set {36}
OMP: pid 313850 tid 313850 thread 0 bound to OS proc set {189}
OMP: pid 313865 tid 313865 thread 0 bound to OS proc set {70}
OMP: pid 313899 tid 313899 thread 0 bound to OS proc set {69}
OMP: pid 313776 tid 313776 thread 0 bound to OS proc set {184}
OMP: pid 313805 tid 313805 thread 0 bound to OS proc set {34}
OMP: pid 313766 tid 313766 thread 0 bound to OS proc set {82}
OMP: pid 313889 tid 313889 thread 0 bound to OS proc set {161}
OMP: pid 313963 tid 313963 thread 0 bound to OS proc set {203}
OMP: pid 313867 tid 313867 thread 0 bound to OS proc set {6}
OMP: pid 313936 tid 313936 thread 0 bound to OS proc set {172}
OMP: pid 313870 tid 313870 thread 0 bound to OS proc set {180}
OMP: pid 313790 tid 313790 thread 0 bound to OS proc set {129}
OMP: pid 313792 tid 313792 thread 0 bound to OS proc set {191}
OMP: pid 313918 tid 313918 thread 0 bound to OS proc set {214}
OMP: pid 313887 tid 313887 thread 0 bound to OS proc set {22}
OMP: pid 313954 tid 313954 thread 0 bound to OS proc set {198}
OMP: pid 313892 tid 313892 thread 0 bound to OS proc set {169}
OMP: pid 313791 tid 313791 thread 0 bound to OS proc set {175}
OMP: pid 313940 tid 313940 thread 0 bound to OS proc set {56}
OMP: pid 313859 tid 313859 thread 0 bound to OS proc set {122}
OMP: pid 313937 tid 313937 thread 0 bound to OS proc set {150}
OMP: pid 313972 tid 313972 thread 0 bound to OS proc set {3}
OMP: pid 313965 tid 313965 thread 0 bound to OS proc set {177}
OMP: pid 313874 tid 313874 thread 0 bound to OS proc set {187}
OMP: pid 313923 tid 313923 thread 0 bound to OS proc set {159}
OMP: pid 313847 tid 313847 thread 0 bound to OS proc set {84}
OMP: pid 313833 tid 313833 thread 0 bound to OS proc set {190}
OMP: pid 313817 tid 313817 thread 0 bound to OS proc set {114}
OMP: pid 313948 tid 313948 thread 0 bound to OS proc set {2}
OMP: pid 313852 tid 313852 thread 0 bound to OS proc set {209}
OMP: pid 313904 tid 313904 thread 0 bound to OS proc set {127}
OMP: pid 313891 tid 313891 thread 0 bound to OS proc set {13}
OMP: pid 313854 tid 313854 thread 0 bound to OS proc set {207}
OMP: pid 313910 tid 313910 thread 0 bound to OS proc set {174}
OMP: pid 313824 tid 313824 thread 0 bound to OS proc set {176}
OMP: pid 313878 tid 313878 thread 0 bound to OS proc set {41}
OMP: pid 313921 tid 313921 thread 0 bound to OS proc set {7}
OMP: pid 313978 tid 313978 thread 0 bound to OS proc set {178}
OMP: pid 313958 tid 313958 thread 0 bound to OS proc set {135}
OMP: pid 313955 tid 313955 thread 0 bound to OS proc set {168}
OMP: pid 313778 tid 313778 thread 0 bound to OS proc set {162}
OMP: pid 313876 tid 313876 thread 0 bound to OS proc set {193}
OMP: pid 313806 tid 313806 thread 0 bound to OS proc set {1}
OMP: pid 313770 tid 313770 thread 0 bound to OS proc set {165}
OMP: pid 313880 tid 313880 thread 0 bound to OS proc set {57}
OMP: pid 313813 tid 313813 thread 0 bound to OS proc set {105}
OMP: pid 313777 tid 313777 thread 0 bound to OS proc set {194}
OMP: pid 313970 tid 313970 thread 0 bound to OS proc set {131}
OMP: pid 313846 tid 313846 thread 0 bound to OS proc set {68}
OMP: pid 313838 tid 313838 thread 0 bound to OS proc set {201}
OMP: pid 313856 tid 313856 thread 0 bound to OS proc set {141}
OMP: pid 313830 tid 313830 thread 0 bound to OS proc set {208}
OMP: pid 313811 tid 313811 thread 0 bound to OS proc set {117}
OMP: pid 313794 tid 313794 thread 0 bound to OS proc set {58}
OMP: pid 313775 tid 313775 thread 0 bound to OS proc set {118}
OMP: pid 313782 tid 313782 thread 0 bound to OS proc set {32}
OMP: pid 313797 tid 313797 thread 0 bound to OS proc set {133}
OMP: pid 313883 tid 313883 thread 0 bound to OS proc set {192}
OMP: pid 313980 tid 313980 thread 0 bound to OS proc set {121}
OMP: pid 313765 tid 313765 thread 0 bound to OS proc set {200}
OMP: pid 313768 tid 313768 thread 0 bound to OS proc set {163}
OMP: pid 313839 tid 313839 thread 0 bound to OS proc set {45}
OMP: pid 313929 tid 313929 thread 0 bound to OS proc set {151}
OMP: pid 313825 tid 313825 thread 0 bound to OS proc set {60}
OMP: pid 313894 tid 313894 thread 0 bound to OS proc set {50}
OMP: pid 313981 tid 313981 thread 0 bound to OS proc set {33}
OMP: pid 313928 tid 313928 thread 0 bound to OS proc set {156}
OMP: pid 313857 tid 313857 thread 0 bound to OS proc set {20}
OMP: pid 313903 tid 313903 thread 0 bound to OS proc set {181}
OMP: pid 313861 tid 313861 thread 0 bound to OS proc set {87}
OMP: pid 313879 tid 313879 thread 0 bound to OS proc set {80}
OMP: pid 313919 tid 313919 thread 0 bound to OS proc set {103}
OMP: pid 313952 tid 313952 thread 0 bound to OS proc set {179}
OMP: pid 313973 tid 313973 thread 0 bound to OS proc set {28}
OMP: pid 313827 tid 313827 thread 0 bound to OS proc set {143}
OMP: pid 313845 tid 313845 thread 0 bound to OS proc set {54}
OMP: pid 313810 tid 313810 thread 0 bound to OS proc set {49}
OMP: pid 313950 tid 313950 thread 0 bound to OS proc set {205}
OMP: pid 313916 tid 313916 thread 0 bound to OS proc set {186}
OMP: pid 313888 tid 313888 thread 0 bound to OS proc set {91}
OMP: pid 313895 tid 313895 thread 0 bound to OS proc set {185}
OMP: pid 313858 tid 313858 thread 0 bound to OS proc set {128}
OMP: pid 313869 tid 313869 thread 0 bound to OS proc set {206}
OMP: pid 313821 tid 313821 thread 0 bound to OS proc set {67}
OMP: pid 313979 tid 313979 thread 0 bound to OS proc set {183}
OMP: pid 313974 tid 313974 thread 0 bound to OS proc set {211}
OMP: pid 313864 tid 313864 thread 0 bound to OS proc set {188}
OMP: pid 313853 tid 313853 thread 0 bound to OS proc set {73}
OMP: pid 313975 tid 313975 thread 0 bound to OS proc set {152}
OMP: pid 313967 tid 313967 thread 0 bound to OS proc set {120}
OMP: pid 313822 tid 313822 thread 0 bound to OS proc set {9}
OMP: pid 313909 tid 313909 thread 0 bound to OS proc set {204}
OMP: pid 313871 tid 313871 thread 0 bound to OS proc set {166}
OMP: pid 313772 tid 313772 thread 0 bound to OS proc set {145}
OMP: pid 313964 tid 313964 thread 0 bound to OS proc set {148}
OMP: pid 313938 tid 313938 thread 0 bound to OS proc set {47}
OMP: pid 313946 tid 313946 thread 0 bound to OS proc set {138}
OMP: pid 313787 tid 313787 thread 0 bound to OS proc set {64}
OMP: pid 313930 tid 313930 thread 0 bound to OS proc set {139}
OMP: pid 313922 tid 313922 thread 0 bound to OS proc set {24}
OMP: pid 313786 tid 313786 thread 0 bound to OS proc set {46}
OMP: pid 313834 tid 313834 thread 0 bound to OS proc set {144}
OMP: pid 313832 tid 313832 thread 0 bound to OS proc set {101}
OMP: pid 313848 tid 313848 thread 0 bound to OS proc set {110}
OMP: pid 313795 tid 313795 thread 0 bound to OS proc set {51}
OMP: pid 313773 tid 313773 thread 0 bound to OS proc set {136}
OMP: pid 313784 tid 313784 thread 0 bound to OS proc set {212}
OMP: pid 313968 tid 313968 thread 0 bound to OS proc set {160}
OMP: pid 313803 tid 313803 thread 0 bound to OS proc set {29}
OMP: pid 313793 tid 313793 thread 0 bound to OS proc set {116}
OMP: pid 313774 tid 313774 thread 0 bound to OS proc set {153}
OMP: pid 313924 tid 313924 thread 0 bound to OS proc set {196}
OMP: pid 313959 tid 313959 thread 0 bound to OS proc set {132}
OMP: pid 313840 tid 313840 thread 0 bound to OS proc set {213}
OMP: pid 313828 tid 313828 thread 0 bound to OS proc set {146}
OMP: pid 313957 tid 313957 thread 0 bound to OS proc set {149}
OMP: pid 313796 tid 313796 thread 0 bound to OS proc set {65}
OMP: pid 313912 tid 313912 thread 0 bound to OS proc set {40}
OMP: pid 313911 tid 313911 thread 0 bound to OS proc set {154}
OMP: pid 313799 tid 313799 thread 0 bound to OS proc set {182}
OMP: pid 313783 tid 313783 thread 0 bound to OS proc set {147}
OMP: pid 313915 tid 313915 thread 0 bound to OS proc set {199}
OMP: pid 313942 tid 313942 thread 0 bound to OS proc set {52}
OMP: pid 313951 tid 313951 thread 0 bound to OS proc set {15}
OMP: pid 313771 tid 313771 thread 0 bound to OS proc set {72}
OMP: pid 313939 tid 313939 thread 0 bound to OS proc set {35}
OMP: pid 313812 tid 313812 thread 0 bound to OS proc set {88}
OMP: pid 313944 tid 313944 thread 0 bound to OS proc set {5}
OMP: pid 313788 tid 313788 thread 0 bound to OS proc set {48}
OMP: pid 313823 tid 313823 thread 0 bound to OS proc set {42}
OMP: pid 313836 tid 313836 thread 0 bound to OS proc set {97}
OMP: pid 313816 tid 313816 thread 0 bound to OS proc set {79}
OMP: pid 313945 tid 313945 thread 0 bound to OS proc set {164}
OMP: pid 313785 tid 313785 thread 0 bound to OS proc set {197}
OMP: pid 313885 tid 313885 thread 0 bound to OS proc set {112}
OMP: pid 313851 tid 313851 thread 0 bound to OS proc set {104}
OMP: pid 313873 tid 313873 thread 0 bound to OS proc set {126}
OMP: pid 313949 tid 313949 thread 0 bound to OS proc set {100}
OMP: pid 313789 tid 313789 thread 0 bound to OS proc set {12}
OMP: pid 313815 tid 313815 thread 0 bound to OS proc set {93}
OMP: pid 313943 tid 313943 thread 0 bound to OS proc set {142}
OMP: pid 313907 tid 313907 thread 0 bound to OS proc set {55}
OMP: pid 313849 tid 313849 thread 0 bound to OS proc set {0}
OMP: pid 313962 tid 313962 thread 0 bound to OS proc set {63}
OMP: pid 313808 tid 313808 thread 0 bound to OS proc set {95}
OMP: pid 313931 tid 313931 thread 0 bound to OS proc set {109}
OMP: pid 313829 tid 313829 thread 0 bound to OS proc set {89}
LAMMPS (22 Jul 2025)
OMP: pid 313960 tid 313960 thread 0 bound to OS proc set {62}
using 1 OpenMP thread(s) per MPI task
OMP: pid 313927 tid 313927 thread 0 bound to OS proc set {155}
OMP: pid 313969 tid 313969 thread 0 bound to OS proc set {14}
OMP: pid 313781 tid 313781 thread 0 bound to OS proc set {76}
OMP: pid 313926 tid 313926 thread 0 bound to OS proc set {38}
OMP: pid 313843 tid 313843 thread 0 bound to OS proc set {170}
OMP: pid 313897 tid 313897 thread 0 bound to OS proc set {202}
OMP: pid 313953 tid 313953 thread 0 bound to OS proc set {107}
OMP: pid 313814 tid 313814 thread 0 bound to OS proc set {94}
OMP: pid 313893 tid 313893 thread 0 bound to OS proc set {134}
OMP: pid 313868 tid 313868 thread 0 bound to OS proc set {210}
OMP: pid 313801 tid 313801 thread 0 bound to OS proc set {59}
OMP: pid 313807 tid 313807 thread 0 bound to OS proc set {75}
OMP: pid 313877 tid 313877 thread 0 bound to OS proc set {111}
OMP: pid 313800 tid 313800 thread 0 bound to OS proc set {61}
OMP: pid 313898 tid 313898 thread 0 bound to OS proc set {71}
OMP: pid 313831 tid 313831 thread 0 bound to OS proc set {81}
OMP: pid 313764 tid 313764 thread 0 bound to OS proc set {130}
OMP: pid 313896 tid 313896 thread 0 bound to OS proc set {167}
OMP: pid 313947 tid 313947 thread 0 bound to OS proc set {23}
OMP: pid 313780 tid 313780 thread 0 bound to OS proc set {37}
OMP: pid 313802 tid 313802 thread 0 bound to OS proc set {113}
OMP: pid 313809 tid 313809 thread 0 bound to OS proc set {140}
OMP: pid 313932 tid 313932 thread 0 bound to OS proc set {18}
OMP: pid 313884 tid 313884 thread 0 bound to OS proc set {39}
OMP: pid 313900 tid 313900 thread 0 bound to OS proc set {124}
OMP: pid 313886 tid 313886 thread 0 bound to OS proc set {78}
OMP: pid 313905 tid 313905 thread 0 bound to OS proc set {26}
OMP: pid 313779 tid 313779 thread 0 bound to OS proc set {74}
OMP: pid 313820 tid 313820 thread 0 bound to OS proc set {115}
OMP: pid 313976 tid 313976 thread 0 bound to OS proc set {16}
OMP: pid 313913 tid 313913 thread 0 bound to OS proc set {21}
OMP: pid 313862 tid 313862 thread 0 bound to OS proc set {108}
OMP: pid 313941 tid 313941 thread 0 bound to OS proc set {19}
OMP: pid 313971 tid 313971 thread 0 bound to OS proc set {98}
OMP: pid 313844 tid 313844 thread 0 bound to OS proc set {125}
OMP: pid 313982 tid 313982 thread 0 bound to OS proc set {8}
OMP: pid 313890 tid 313890 thread 0 bound to OS proc set {4}
OMP: pid 313908 tid 313908 thread 0 bound to OS proc set {25}
OMP: pid 313798 tid 313798 thread 0 bound to OS proc set {11}
OMP: pid 313866 tid 313866 thread 0 bound to OS proc set {119}
OMP: pid 313934 tid 313934 thread 0 bound to OS proc set {123}
OMP: pid 313804 tid 313804 thread 0 bound to OS proc set {17}
OMP: pid 313872 tid 313872 thread 0 bound to OS proc set {106}
OMP: pid 313956 tid 313956 thread 0 bound to OS proc set {83}
OMP: pid 313977 tid 313977 thread 0 bound to OS proc set {30}
OMP: pid 313819 tid 313819 thread 0 bound to OS proc set {99}
OMP: pid 313906 tid 313906 thread 0 bound to OS proc set {66}
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)
9 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 = 0.063 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1299 | 1326 | 1374 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.44919 on 216 procs for 10 steps with 32768000 atoms
Performance: 2.981 ns/day, 8.051 hours/ns, 6.900 timesteps/s, 226.112 Matom-step/s
70.9% CPU use with 216 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.87684 | 0.98648 | 1.1056 | 4.8 | 68.07
Neigh | 0.027372 | 0.048993 | 0.066777 | 4.5 | 3.38
Comm | 0.15523 | 0.27308 | 0.42165 | 9.5 | 18.84
Output | 0.017727 | 0.019179 | 0.027572 | 1.0 | 1.32
Modify | 0.026283 | 0.0585 | 0.12861 | 5.4 | 4.04
Other | | 0.06296 | | | 4.34
Nlocal: 151704 ave 152940 max 150454 min
Histogram: 54 2 0 11 5 47 65 0 0 32
Nghost: 50705.1 ave 51895 max 48986 min
Histogram: 16 8 5 29 14 15 35 34 43 17
Neighs: 5.7104e+06 ave 5.78427e+06 max 5.66234e+06 min
Histogram: 55 1 53 19 0 16 39 17 0 16
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1299 | 1326 | 1374 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84597 -1.1257917e+08 0 -1.0919981e+08 51536.934
500 797.7245 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 41.9876 on 216 procs for 500 steps with 32768000 atoms
Performance: 5.144 ns/day, 4.665 hours/ns, 11.908 timesteps/s, 390.211 Matom-step/s
98.5% CPU use with 216 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 24.874 | 28.085 | 29.514 | 8.8 | 66.89
Neigh | 2.206 | 3.3092 | 3.609 | 6.6 | 7.88
Comm | 4.393 | 5.4708 | 12.696 | 33.8 | 13.03
Output | 0.037822 | 0.056273 | 0.082799 | 4.5 | 0.13
Modify | 0.56454 | 3.9209 | 4.4779 | 22.9 | 9.34
Other | | 1.145 | | | 2.73
Nlocal: 151704 ave 153166 max 150185 min
Histogram: 14 39 3 6 14 48 51 10 14 17
Nghost: 50619.1 ave 52048 max 48786 min
Histogram: 8 15 21 23 6 25 40 43 30 5
Neighs: 5.72637e+06 ave 5.80671e+06 max 5.66821e+06 min
Histogram: 21 33 23 45 10 15 31 21 7 10
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747092
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:45
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_7 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 240 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 318816 isix02.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 318860 isix02.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 318755 isix02.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 318747 isix02.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 318881 isix02.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 318802 isix02.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 318758 isix02.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 318918 isix02.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 318880 isix02.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 318866 isix02.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 318934 isix02.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 318868 isix02.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 318760 isix02.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 318765 isix02.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 318872 isix02.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 318798 isix02.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 318727 isix02.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 318879 isix02.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 318698 isix02.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 318700 isix02.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 318756 isix02.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 318754 isix02.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 318871 isix02.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 318887 isix02.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 318888 isix02.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 318935 isix02.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 318796 isix02.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 318913 isix02.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 318936 isix02.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 318705 isix02.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 318723 isix02.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 318836 isix02.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 318732 isix02.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 318890 isix02.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 318863 isix02.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 318886 isix02.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 318864 isix02.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 318797 isix02.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 318914 isix02.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 318894 isix02.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 318870 isix02.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 318774 isix02.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 318878 isix02.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 318842 isix02.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 318849 isix02.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 318730 isix02.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 318843 isix02.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 318869 isix02.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 318902 isix02.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 318703 isix02.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 318810 isix02.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 318873 isix02.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 318840 isix02.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 318906 isix02.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 318748 isix02.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 318753 isix02.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 318768 isix02.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 318745 isix02.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 318912 isix02.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 318707 isix02.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 318923 isix02.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 318728 isix02.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 318701 isix02.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 318901 isix02.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 318808 isix02.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 318877 isix02.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 318812 isix02.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 318928 isix02.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 318917 isix02.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 318744 isix02.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 318900 isix02.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 318708 isix02.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 318725 isix02.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 318769 isix02.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 318792 isix02.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 318856 isix02.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 318904 isix02.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 318829 isix02.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 318930 isix02.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 318702 isix02.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 318809 isix02.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 318704 isix02.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 318811 isix02.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 318862 isix02.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 318823 isix02.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 318933 isix02.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 318803 isix02.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 318919 isix02.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 318854 isix02.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 318762 isix02.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 318743 isix02.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 318865 isix02.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 318940 isix02.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 318736 isix02.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 318717 isix02.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 318720 isix02.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 318909 isix02.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 318876 isix02.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 318850 isix02.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 318721 isix02.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 318751 isix02.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 318737 isix02.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 318697 isix02.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 318915 isix02.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 318752 isix02.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 318761 isix02.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 318845 isix02.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 318713 isix02.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 318925 isix02.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 318763 isix02.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 318875 isix02.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 318718 isix02.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 318835 isix02.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 318805 isix02.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 318813 isix02.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 318841 isix02.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 318926 isix02.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 318804 isix02.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 318750 isix02.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 318908 isix02.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 318921 isix02.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 318773 isix02.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 318883 isix02.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 318735 isix02.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 318716 isix02.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 318922 isix02.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 318910 isix02.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 318897 isix02.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 318710 isix02.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 318788 isix02.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 318778 isix02.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 318786 isix02.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 318896 isix02.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 318770 isix02.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 318784 isix02.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 318787 isix02.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 318847 isix02.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 318927 isix02.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 318924 isix02.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 318785 isix02.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 318853 isix02.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 318724 isix02.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 318793 isix02.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 318791 isix02.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 318795 isix02.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 318749 isix02.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 318852 isix02.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 318938 isix02.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 318893 isix02.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 318712 isix02.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 318711 isix02.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 318838 isix02.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 318709 isix02.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 318771 isix02.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 318857 isix02.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 318726 isix02.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 318882 isix02.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 318746 isix02.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 318801 isix02.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 318715 isix02.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 318759 isix02.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 318806 isix02.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 318848 isix02.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 318783 isix02.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 318851 isix02.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 318780 isix02.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 318834 isix02.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 318903 isix02.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 318722 isix02.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 318895 isix02.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 318815 isix02.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 318781 isix02.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 318731 isix02.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 318889 isix02.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 318729 isix02.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 318800 isix02.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 318706 isix02.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 318807 isix02.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 318899 isix02.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 318916 isix02.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 318929 isix02.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 318831 isix02.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 318764 isix02.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 318905 isix02.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 318911 isix02.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 318832 isix02.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 318891 isix02.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 318867 isix02.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 318817 isix02.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 318777 isix02.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 318789 isix02.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 318699 isix02.benchmarkcenter.megware.com {191,447}
[0] MPI startup(): 192 318772 isix02.benchmarkcenter.megware.com {192,448}
[0] MPI startup(): 193 318932 isix02.benchmarkcenter.megware.com {193,449}
[0] MPI startup(): 194 318738 isix02.benchmarkcenter.megware.com {194,450}
[0] MPI startup(): 195 318799 isix02.benchmarkcenter.megware.com {195,451}
[0] MPI startup(): 196 318907 isix02.benchmarkcenter.megware.com {196,452}
[0] MPI startup(): 197 318814 isix02.benchmarkcenter.megware.com {197,453}
[0] MPI startup(): 198 318757 isix02.benchmarkcenter.megware.com {198,454}
[0] MPI startup(): 199 318937 isix02.benchmarkcenter.megware.com {199,455}
[0] MPI startup(): 200 318859 isix02.benchmarkcenter.megware.com {200,456}
[0] MPI startup(): 201 318920 isix02.benchmarkcenter.megware.com {201,457}
[0] MPI startup(): 202 318742 isix02.benchmarkcenter.megware.com {202,458}
[0] MPI startup(): 203 318740 isix02.benchmarkcenter.megware.com {203,459}
[0] MPI startup(): 204 318776 isix02.benchmarkcenter.megware.com {204,460}
[0] MPI startup(): 205 318861 isix02.benchmarkcenter.megware.com {205,461}
[0] MPI startup(): 206 318828 isix02.benchmarkcenter.megware.com {206,462}
[0] MPI startup(): 207 318790 isix02.benchmarkcenter.megware.com {207,463}
[0] MPI startup(): 208 318830 isix02.benchmarkcenter.megware.com {208,464}
[0] MPI startup(): 209 318782 isix02.benchmarkcenter.megware.com {209,465}
[0] MPI startup(): 210 318939 isix02.benchmarkcenter.megware.com {210,466}
[0] MPI startup(): 211 318775 isix02.benchmarkcenter.megware.com {211,467}
[0] MPI startup(): 212 318741 isix02.benchmarkcenter.megware.com {212,468}
[0] MPI startup(): 213 318766 isix02.benchmarkcenter.megware.com {213,469}
[0] MPI startup(): 214 318833 isix02.benchmarkcenter.megware.com {214,470}
[0] MPI startup(): 215 318839 isix02.benchmarkcenter.megware.com {215,471}
[0] MPI startup(): 216 318739 isix02.benchmarkcenter.megware.com {216,472}
[0] MPI startup(): 217 318855 isix02.benchmarkcenter.megware.com {217,473}
[0] MPI startup(): 218 318820 isix02.benchmarkcenter.megware.com {218,474}
[0] MPI startup(): 219 318734 isix02.benchmarkcenter.megware.com {219,475}
[0] MPI startup(): 220 318825 isix02.benchmarkcenter.megware.com {220,476}
[0] MPI startup(): 221 318827 isix02.benchmarkcenter.megware.com {221,477}
[0] MPI startup(): 222 318885 isix02.benchmarkcenter.megware.com {222,478}
[0] MPI startup(): 223 318846 isix02.benchmarkcenter.megware.com {223,479}
[0] MPI startup(): 224 318719 isix02.benchmarkcenter.megware.com {224,480}
[0] MPI startup(): 225 318858 isix02.benchmarkcenter.megware.com {225,481}
[0] MPI startup(): 226 318892 isix02.benchmarkcenter.megware.com {226,482}
[0] MPI startup(): 227 318826 isix02.benchmarkcenter.megware.com {227,483}
[0] MPI startup(): 228 318822 isix02.benchmarkcenter.megware.com {228,484}
[0] MPI startup(): 229 318824 isix02.benchmarkcenter.megware.com {229,485}
[0] MPI startup(): 230 318837 isix02.benchmarkcenter.megware.com {230,486}
[0] MPI startup(): 231 318714 isix02.benchmarkcenter.megware.com {231,487}
[0] MPI startup(): 232 318733 isix02.benchmarkcenter.megware.com {232,488}
[0] MPI startup(): 233 318898 isix02.benchmarkcenter.megware.com {233,489}
[0] MPI startup(): 234 318819 isix02.benchmarkcenter.megware.com {234,490}
[0] MPI startup(): 235 318818 isix02.benchmarkcenter.megware.com {235,491}
[0] MPI startup(): 236 318931 isix02.benchmarkcenter.megware.com {236,492}
[0] MPI startup(): 237 318821 isix02.benchmarkcenter.megware.com {237,493}
[0] MPI startup(): 238 318884 isix02.benchmarkcenter.megware.com {238,494}
[0] MPI startup(): 239 318779 isix02.benchmarkcenter.megware.com {239,495}
OMP: pid 318930 tid 318930 thread 0 bound to OS proc set {78}
OMP: pid 318932 tid 318932 thread 0 bound to OS proc set {193}
OMP: pid 318911 tid 318911 thread 0 bound to OS proc set {184}
OMP: pid 318935 tid 318935 thread 0 bound to OS proc set {25}
OMP: pid 318765 tid 318765 thread 0 bound to OS proc set {13}
OMP: pid 318729 tid 318729 thread 0 bound to OS proc set {174}
OMP: pid 318914 tid 318914 thread 0 bound to OS proc set {38}
OMP: pid 318827 tid 318827 thread 0 bound to OS proc set {221}
OMP: pid 318762 tid 318762 thread 0 bound to OS proc set {89}
OMP: pid 318812 tid 318812 thread 0 bound to OS proc set {66}
OMP: pid 318731 tid 318731 thread 0 bound to OS proc set {172}
OMP: pid 318928 tid 318928 thread 0 bound to OS proc set {67}
OMP: pid 318920 tid 318920 thread 0 bound to OS proc set {201}
OMP: pid 318799 tid 318799 thread 0 bound to OS proc set {195}
OMP: pid 318885 tid 318885 thread 0 bound to OS proc set {222}
OMP: pid 318783 tid 318783 thread 0 bound to OS proc set {163}
OMP: pid 318898 tid 318898 thread 0 bound to OS proc set {233}
OMP: pid 318830 tid 318830 thread 0 bound to OS proc set {208}
OMP: pid 318720 tid 318720 thread 0 bound to OS proc set {95}
OMP: pid 318773 tid 318773 thread 0 bound to OS proc set {121}
OMP: pid 318803 tid 318803 thread 0 bound to OS proc set {86}
OMP: pid 318703 tid 318703 thread 0 bound to OS proc set {49}
OMP: pid 318841 tid 318841 thread 0 bound to OS proc set {115}
OMP: pid 318736 tid 318736 thread 0 bound to OS proc set {93}
OMP: pid 318893 tid 318893 thread 0 bound to OS proc set {148}
OMP: pid 318851 tid 318851 thread 0 bound to OS proc set {164}
OMP: pid 318934 tid 318934 thread 0 bound to OS proc set {10}
OMP: pid 318848 tid 318848 thread 0 bound to OS proc set {162}
OMP: pid 318936 tid 318936 thread 0 bound to OS proc set {28}
OMP: pid 318923 tid 318923 thread 0 bound to OS proc set {60}
OMP: pid 318800 tid 318800 thread 0 bound to OS proc set {175}
OMP: pid 318888 tid 318888 thread 0 bound to OS proc set {24}
OMP: pid 318891 tid 318891 thread 0 bound to OS proc set {186}
OMP: pid 318820 tid 318820 thread 0 bound to OS proc set {218}
OMP: pid 318701 tid 318701 thread 0 bound to OS proc set {62}
OMP: pid 318834 tid 318834 thread 0 bound to OS proc set {166}
OMP: pid 318804 tid 318804 thread 0 bound to OS proc set {117}
OMP: pid 318710 tid 318710 thread 0 bound to OS proc set {128}
OMP: pid 318774 tid 318774 thread 0 bound to OS proc set {41}
OMP: pid 318807 tid 318807 thread 0 bound to OS proc set {177}
OMP: pid 318780 tid 318780 thread 0 bound to OS proc set {165}
OMP: pid 318852 tid 318852 thread 0 bound to OS proc set {146}
OMP: pid 318849 tid 318849 thread 0 bound to OS proc set {44}
OMP: pid 318868 tid 318868 thread 0 bound to OS proc set {11}
OMP: pid 318843 tid 318843 thread 0 bound to OS proc set {46}
OMP: pid 318837 tid 318837 thread 0 bound to OS proc set {230}
OMP: pid 318870 tid 318870 thread 0 bound to OS proc set {40}
OMP: pid 318770 tid 318770 thread 0 bound to OS proc set {133}
OMP: pid 318747 tid 318747 thread 0 bound to OS proc set {3}
OMP: pid 318821 tid 318821 thread 0 bound to OS proc set {237}
OMP: pid 318806 tid 318806 thread 0 bound to OS proc set {161}
OMP: pid 318716 tid 318716 thread 0 bound to OS proc set {124}
OMP: pid 318741 tid 318741 thread 0 bound to OS proc set {212}
OMP: pid 318709 tid 318709 thread 0 bound to OS proc set {152}
OMP: pid 318719 tid 318719 thread 0 bound to OS proc set {224}
OMP: pid 318777 tid 318777 thread 0 bound to OS proc set {189}
OMP: pid 318768 tid 318768 thread 0 bound to OS proc set {56}
OMP: pid 318921 tid 318921 thread 0 bound to OS proc set {120}
OMP: pid 318884 tid 318884 thread 0 bound to OS proc set {238}
OMP: pid 318771 tid 318771 thread 0 bound to OS proc set {153}
OMP: pid 318760 tid 318760 thread 0 bound to OS proc set {12}
OMP: pid 318909 tid 318909 thread 0 bound to OS proc set {96}
OMP: pid 318819 tid 318819 thread 0 bound to OS proc set {234}
OMP: pid 318940 tid 318940 thread 0 bound to OS proc set {92}
OMP: pid 318833 tid 318833 thread 0 bound to OS proc set {214}
OMP: pid 318749 tid 318749 thread 0 bound to OS proc set {145}
OMP: pid 318828 tid 318828 thread 0 bound to OS proc set {206}
OMP: pid 318789 tid 318789 thread 0 bound to OS proc set {190}
OMP: pid 318763 tid 318763 thread 0 bound to OS proc set {109}
OMP: pid 318824 tid 318824 thread 0 bound to OS proc set {229}
OMP: pid 318861 tid 318861 thread 0 bound to OS proc set {205}
OMP: pid 318927 tid 318927 thread 0 bound to OS proc set {137}
OMP: pid 318748 tid 318748 thread 0 bound to OS proc set {54}
OMP: pid 318876 tid 318876 thread 0 bound to OS proc set {97}
OMP: pid 318754 tid 318754 thread 0 bound to OS proc set {21}
OMP: pid 318728 tid 318728 thread 0 bound to OS proc set {61}
OMP: pid 318814 tid 318814 thread 0 bound to OS proc set {197}
OMP: pid 318738 tid 318738 thread 0 bound to OS proc set {194}
OMP: pid 318882 tid 318882 thread 0 bound to OS proc set {156}
OMP: pid 318869 tid 318869 thread 0 bound to OS proc set {47}
OMP: pid 318751 tid 318751 thread 0 bound to OS proc set {100}
OMP: pid 318817 tid 318817 thread 0 bound to OS proc set {188}
OMP: pid 318706 tid 318706 thread 0 bound to OS proc set {176}
OMP: pid 318766 tid 318766 thread 0 bound to OS proc set {213}
OMP: pid 318711 tid 318711 thread 0 bound to OS proc set {150}
OMP: pid 318750 tid 318750 thread 0 bound to OS proc set {118}
OMP: pid 318892 tid 318892 thread 0 bound to OS proc set {226}
OMP: pid 318867 tid 318867 thread 0 bound to OS proc set {187}
OMP: pid 318832 tid 318832 thread 0 bound to OS proc set {185}
OMP: pid 318805 tid 318805 thread 0 bound to OS proc set {113}
OMP: pid 318925 tid 318925 thread 0 bound to OS proc set {108}
OMP: pid 318714 tid 318714 thread 0 bound to OS proc set {231}
OMP: pid 318859 tid 318859 thread 0 bound to OS proc set {200}
OMP: pid 318846 tid 318846 thread 0 bound to OS proc set {223}
OMP: pid 318877 tid 318877 thread 0 bound to OS proc set {65}
OMP: pid 318926 tid 318926 thread 0 bound to OS proc set {116}
OMP: pid 318743 tid 318743 thread 0 bound to OS proc set {90}
OMP: pid 318835 tid 318835 thread 0 bound to OS proc set {112}
OMP: pid 318795 tid 318795 thread 0 bound to OS proc set {144}
OMP: pid 318791 tid 318791 thread 0 bound to OS proc set {143}
OMP: pid 318813 tid 318813 thread 0 bound to OS proc set {114}
OMP: pid 318899 tid 318899 thread 0 bound to OS proc set {178}
OMP: pid 318809 tid 318809 thread 0 bound to OS proc set {80}
OMP: pid 318931 tid 318931 thread 0 bound to OS proc set {236}
OMP: pid 318732 tid 318732 thread 0 bound to OS proc set {32}
OMP: pid 318704 tid 318704 thread 0 bound to OS proc set {81}
OMP: pid 318880 tid 318880 thread 0 bound to OS proc set {8}
OMP: pid 318894 tid 318894 thread 0 bound to OS proc set {39}
OMP: pid 318858 tid 318858 thread 0 bound to OS proc set {225}
OMP: pid 318801 tid 318801 thread 0 bound to OS proc set {158}
OMP: pid 318727 tid 318727 thread 0 bound to OS proc set {16}
OMP: pid 318756 tid 318756 thread 0 bound to OS proc set {20}
OMP: pid 318903 tid 318903 thread 0 bound to OS proc set {167}
OMP: pid 318790 tid 318790 thread 0 bound to OS proc set {207}
OMP: pid 318826 tid 318826 thread 0 bound to OS proc set {227}
OMP: pid 318871 tid 318871 thread 0 bound to OS proc set {22}
OMP: pid 318797 tid 318797 thread 0 bound to OS proc set {37}
OMP: pid 318872 tid 318872 thread 0 bound to OS proc set {14}
OMP: pid 318878 tid 318878 thread 0 bound to OS proc set {42}
OMP: pid 318737 tid 318737 thread 0 bound to OS proc set {101}
OMP: pid 318918 tid 318918 thread 0 bound to OS proc set {7}
OMP: pid 318823 tid 318823 thread 0 bound to OS proc set {84}
OMP: pid 318916 tid 318916 thread 0 bound to OS proc set {179}
OMP: pid 318901 tid 318901 thread 0 bound to OS proc set {63}
OMP: pid 318697 tid 318697 thread 0 bound to OS proc set {102}
OMP: pid 318937 tid 318937 thread 0 bound to OS proc set {199}
OMP: pid 318838 tid 318838 thread 0 bound to OS proc set {151}
OMP: pid 318904 tid 318904 thread 0 bound to OS proc set {76}
OMP: pid 318866 tid 318866 thread 0 bound to OS proc set {9}
OMP: pid 318758 tid 318758 thread 0 bound to OS proc set {6}
OMP: pid 318764 tid 318764 thread 0 bound to OS proc set {182}
OMP: pid 318829 tid 318829 thread 0 bound to OS proc set {77}
OMP: pid 318730 tid 318730 thread 0 bound to OS proc set {45}
OMP: pid 318788 tid 318788 thread 0 bound to OS proc set {129}
OMP: pid 318839 tid 318839 thread 0 bound to OS proc set {215}
OMP: pid 318900 tid 318900 thread 0 bound to OS proc set {70}
OMP: pid 318883 tid 318883 thread 0 bound to OS proc set {122}
OMP: pid 318802 tid 318802 thread 0 bound to OS proc set {5}
OMP: pid 318873 tid 318873 thread 0 bound to OS proc set {51}
OMP: pid 318875 tid 318875 thread 0 bound to OS proc set {110}
OMP: pid 318924 tid 318924 thread 0 bound to OS proc set {138}
OMP: pid 318702 tid 318702 thread 0 bound to OS proc set {79}
OMP: pid 318712 tid 318712 thread 0 bound to OS proc set {149}
OMP: pid 318896 tid 318896 thread 0 bound to OS proc set {132}
OMP: pid 318905 tid 318905 thread 0 bound to OS proc set {183}
OMP: pid 318919 tid 318919 thread 0 bound to OS proc set {87}
OMP: pid 318722 tid 318722 thread 0 bound to OS proc set {168}
OMP: pid 318842 tid 318842 thread 0 bound to OS proc set {43}
OMP: pid 318739 tid 318739 thread 0 bound to OS proc set {216}
OMP: pid 318724 tid 318724 thread 0 bound to OS proc set {141}
OMP: pid 318816 tid 318816 thread 0 bound to OS proc set {0}
OMP: pid 318781 tid 318781 thread 0 bound to OS proc set {171}
OMP: pid 318772 tid 318772 thread 0 bound to OS proc set {192}
OMP: pid 318787 tid 318787 thread 0 bound to OS proc set {135}
OMP: pid 318853 tid 318853 thread 0 bound to OS proc set {140}
OMP: pid 318778 tid 318778 thread 0 bound to OS proc set {130}
LAMMPS (22 Jul 2025)
OMP: pid 318753 tid 318753 thread 0 bound to OS proc set {55}
using 1 OpenMP thread(s) per MPI task
OMP: pid 318850 tid 318850 thread 0 bound to OS proc set {98}
OMP: pid 318715 tid 318715 thread 0 bound to OS proc set {159}
OMP: pid 318856 tid 318856 thread 0 bound to OS proc set {75}
OMP: pid 318825 tid 318825 thread 0 bound to OS proc set {220}
OMP: pid 318707 tid 318707 thread 0 bound to OS proc set {59}
OMP: pid 318721 tid 318721 thread 0 bound to OS proc set {99}
OMP: pid 318890 tid 318890 thread 0 bound to OS proc set {33}
OMP: pid 318865 tid 318865 thread 0 bound to OS proc set {91}
OMP: pid 318744 tid 318744 thread 0 bound to OS proc set {69}
OMP: pid 318761 tid 318761 thread 0 bound to OS proc set {105}
OMP: pid 318708 tid 318708 thread 0 bound to OS proc set {71}
OMP: pid 318757 tid 318757 thread 0 bound to OS proc set {198}
OMP: pid 318881 tid 318881 thread 0 bound to OS proc set {4}
OMP: pid 318887 tid 318887 thread 0 bound to OS proc set {23}
OMP: pid 318857 tid 318857 thread 0 bound to OS proc set {154}
OMP: pid 318792 tid 318792 thread 0 bound to OS proc set {74}
OMP: pid 318836 tid 318836 thread 0 bound to OS proc set {31}
OMP: pid 318742 tid 318742 thread 0 bound to OS proc set {202}
OMP: pid 318922 tid 318922 thread 0 bound to OS proc set {125}
OMP: pid 318815 tid 318815 thread 0 bound to OS proc set {170}
OMP: pid 318796 tid 318796 thread 0 bound to OS proc set {26}
OMP: pid 318907 tid 318907 thread 0 bound to OS proc set {196}
OMP: pid 318782 tid 318782 thread 0 bound to OS proc set {209}
OMP: pid 318863 tid 318863 thread 0 bound to OS proc set {34}
OMP: pid 318808 tid 318808 thread 0 bound to OS proc set {64}
OMP: pid 318769 tid 318769 thread 0 bound to OS proc set {73}
OMP: pid 318698 tid 318698 thread 0 bound to OS proc set {18}
OMP: pid 318913 tid 318913 thread 0 bound to OS proc set {27}
OMP: pid 318726 tid 318726 thread 0 bound to OS proc set {155}
OMP: pid 318776 tid 318776 thread 0 bound to OS proc set {204}
OMP: pid 318897 tid 318897 thread 0 bound to OS proc set {127}
OMP: pid 318798 tid 318798 thread 0 bound to OS proc set {15}
OMP: pid 318759 tid 318759 thread 0 bound to OS proc set {160}
OMP: pid 318845 tid 318845 thread 0 bound to OS proc set {106}
OMP: pid 318855 tid 318855 thread 0 bound to OS proc set {217}
OMP: pid 318938 tid 318938 thread 0 bound to OS proc set {147}
OMP: pid 318929 tid 318929 thread 0 bound to OS proc set {180}
OMP: pid 318933 tid 318933 thread 0 bound to OS proc set {85}
OMP: pid 318915 tid 318915 thread 0 bound to OS proc set {103}
OMP: pid 318775 tid 318775 thread 0 bound to OS proc set {211}
OMP: pid 318810 tid 318810 thread 0 bound to OS proc set {50}
OMP: pid 318784 tid 318784 thread 0 bound to OS proc set {134}
OMP: pid 318746 tid 318746 thread 0 bound to OS proc set {157}
OMP: pid 318886 tid 318886 thread 0 bound to OS proc set {35}
OMP: pid 318735 tid 318735 thread 0 bound to OS proc set {123}
OMP: pid 318699 tid 318699 thread 0 bound to OS proc set {191}
OMP: pid 318908 tid 318908 thread 0 bound to OS proc set {119}
OMP: pid 318879 tid 318879 thread 0 bound to OS proc set {17}
OMP: pid 318700 tid 318700 thread 0 bound to OS proc set {19}
OMP: pid 318745 tid 318745 thread 0 bound to OS proc set {57}
OMP: pid 318793 tid 318793 thread 0 bound to OS proc set {142}
OMP: pid 318902 tid 318902 thread 0 bound to OS proc set {48}
OMP: pid 318818 tid 318818 thread 0 bound to OS proc set {235}
OMP: pid 318718 tid 318718 thread 0 bound to OS proc set {111}
OMP: pid 318831 tid 318831 thread 0 bound to OS proc set {181}
OMP: pid 318725 tid 318725 thread 0 bound to OS proc set {72}
OMP: pid 318752 tid 318752 thread 0 bound to OS proc set {104}
OMP: pid 318786 tid 318786 thread 0 bound to OS proc set {131}
OMP: pid 318847 tid 318847 thread 0 bound to OS proc set {136}
OMP: pid 318705 tid 318705 thread 0 bound to OS proc set {29}
OMP: pid 318811 tid 318811 thread 0 bound to OS proc set {82}
OMP: pid 318723 tid 318723 thread 0 bound to OS proc set {30}
OMP: pid 318860 tid 318860 thread 0 bound to OS proc set {1}
OMP: pid 318889 tid 318889 thread 0 bound to OS proc set {173}
OMP: pid 318854 tid 318854 thread 0 bound to OS proc set {88}
OMP: pid 318740 tid 318740 thread 0 bound to OS proc set {203}
OMP: pid 318734 tid 318734 thread 0 bound to OS proc set {219}
OMP: pid 318822 tid 318822 thread 0 bound to OS proc set {228}
OMP: pid 318713 tid 318713 thread 0 bound to OS proc set {107}
OMP: pid 318840 tid 318840 thread 0 bound to OS proc set {52}
OMP: pid 318862 tid 318862 thread 0 bound to OS proc set {83}
OMP: pid 318912 tid 318912 thread 0 bound to OS proc set {58}
OMP: pid 318917 tid 318917 thread 0 bound to OS proc set {68}
OMP: pid 318910 tid 318910 thread 0 bound to OS proc set {126}
OMP: pid 318864 tid 318864 thread 0 bound to OS proc set {36}
OMP: pid 318906 tid 318906 thread 0 bound to OS proc set {53}
OMP: pid 318717 tid 318717 thread 0 bound to OS proc set {94}
OMP: pid 318895 tid 318895 thread 0 bound to OS proc set {169}
OMP: pid 318779 tid 318779 thread 0 bound to OS proc set {239}
OMP: pid 318785 tid 318785 thread 0 bound to OS proc set {139}
OMP: pid 318939 tid 318939 thread 0 bound to OS proc set {210}
OMP: pid 318755 tid 318755 thread 0 bound to OS proc set {2}
OMP: pid 318733 tid 318733 thread 0 bound to OS proc set {232}
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)
12 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 = 0.026 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1154 | 1194 | 1241 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.48941 on 240 procs for 10 steps with 32768000 atoms
Performance: 2.900 ns/day, 8.274 hours/ns, 6.714 timesteps/s, 220.007 Matom-step/s
61.0% CPU use with 240 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.82112 | 0.99377 | 1.1399 | 5.7 | 66.72
Neigh | 0.027765 | 0.03444 | 0.040303 | 1.1 | 2.31
Comm | 0.13528 | 0.28739 | 0.48328 | 11.0 | 19.30
Output | 0.021005 | 0.025528 | 0.042149 | 2.4 | 1.71
Modify | 0.052223 | 0.086728 | 0.14264 | 5.9 | 5.82
Other | | 0.06156 | | | 4.13
Nlocal: 136533 ave 137088 max 135600 min
Histogram: 78 2 0 0 0 0 0 0 52 108
Nghost: 48442.9 ave 48757 max 48222 min
Histogram: 11 46 63 32 7 5 14 36 17 9
Neighs: 5.13936e+06 ave 5.17243e+06 max 5.09245e+06 min
Histogram: 17 28 19 16 0 7 27 59 35 32
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1154 | 1194 | 1241 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84597 -1.1257917e+08 0 -1.0919981e+08 51536.934
500 797.7245 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 37.9032 on 240 procs for 500 steps with 32768000 atoms
Performance: 5.699 ns/day, 4.211 hours/ns, 13.192 timesteps/s, 432.259 Matom-step/s
97.9% CPU use with 240 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 23.651 | 25.191 | 27.489 | 11.9 | 66.46
Neigh | 2.3324 | 2.9374 | 3.1975 | 11.6 | 7.75
Comm | 4.1598 | 5.6109 | 8.7384 | 45.2 | 14.80
Output | 0.031482 | 0.049875 | 0.079315 | 4.4 | 0.13
Modify | 1.537 | 3.0225 | 4.1498 | 34.2 | 7.97
Other | | 1.092 | | | 2.88
Nlocal: 136533 ave 137378 max 135210 min
Histogram: 9 25 32 13 1 0 15 58 65 22
Nghost: 48368.3 ave 49131 max 47804 min
Histogram: 6 13 33 58 59 41 17 6 4 3
Neighs: 5.15374e+06 ave 5.19489e+06 max 5.09688e+06 min
Histogram: 7 20 26 18 10 10 40 65 33 11
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747092
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:41
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_8 #
#######################################################################################################################################################################################################################
* [MAQAO] Info: Detected 216 Lprof instances in isix02.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_spr_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 323872 isix02.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 323973 isix02.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 323848 isix02.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 323974 isix02.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 323932 isix02.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 323779 isix02.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 323981 isix02.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 323926 isix02.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 323771 isix02.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 323892 isix02.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 323772 isix02.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 323953 isix02.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 323906 isix02.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 323833 isix02.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 323879 isix02.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 323800 isix02.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 323982 isix02.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 323793 isix02.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 323955 isix02.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 323829 isix02.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 323943 isix02.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 323880 isix02.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 323940 isix02.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 324017 isix02.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 323904 isix02.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 323912 isix02.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 323805 isix02.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 323937 isix02.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 323791 isix02.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 323806 isix02.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 323757 isix02.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 323778 isix02.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 323797 isix02.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 323795 isix02.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 323976 isix02.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 323769 isix02.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 323972 isix02.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 323919 isix02.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 323871 isix02.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 323881 isix02.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 323868 isix02.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 323784 isix02.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 323960 isix02.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 323812 isix02.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 323823 isix02.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 323807 isix02.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 323851 isix02.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 323858 isix02.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 323856 isix02.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 323781 isix02.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 323965 isix02.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 323941 isix02.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 323839 isix02.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 323763 isix02.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 323816 isix02.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 323850 isix02.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 323959 isix02.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 323987 isix02.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 323909 isix02.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 323986 isix02.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 323773 isix02.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 323988 isix02.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 323887 isix02.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 323768 isix02.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 323989 isix02.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 323863 isix02.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 323836 isix02.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 323865 isix02.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 323861 isix02.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 323922 isix02.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 323792 isix02.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 323970 isix02.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 323916 isix02.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 323780 isix02.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 323817 isix02.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 323824 isix02.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 323761 isix02.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 323843 isix02.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 323855 isix02.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 323840 isix02.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 323929 isix02.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 323799 isix02.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 323956 isix02.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 323866 isix02.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 323770 isix02.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 323842 isix02.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 323876 isix02.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 323898 isix02.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 323949 isix02.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 323825 isix02.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 323889 isix02.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 323758 isix02.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 323869 isix02.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 323831 isix02.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 323860 isix02.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 323785 isix02.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 323787 isix02.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 323966 isix02.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 323882 isix02.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 323913 isix02.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 323822 isix02.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 323844 isix02.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 323837 isix02.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 323908 isix02.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 323958 isix02.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 323846 isix02.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 323946 isix02.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 323835 isix02.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 323984 isix02.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 323901 isix02.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 324012 isix02.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 323999 isix02.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 323951 isix02.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 323983 isix02.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 323893 isix02.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 323841 isix02.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 323864 isix02.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 323853 isix02.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 323883 isix02.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 324000 isix02.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 323939 isix02.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 323857 isix02.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 323786 isix02.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 323897 isix02.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 323796 isix02.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 323811 isix02.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 323985 isix02.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 323852 isix02.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 324007 isix02.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 323902 isix02.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 324016 isix02.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 323914 isix02.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 323975 isix02.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 323910 isix02.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 323900 isix02.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 324018 isix02.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 323935 isix02.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 323875 isix02.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 323873 isix02.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 323776 isix02.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 323764 isix02.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 324006 isix02.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 323924 isix02.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 323957 isix02.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 323917 isix02.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 324010 isix02.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 323971 isix02.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 323968 isix02.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 323798 isix02.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 323918 isix02.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 323934 isix02.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 323884 isix02.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 323826 isix02.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 323964 isix02.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 323969 isix02.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 323915 isix02.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 323963 isix02.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 324008 isix02.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 323834 isix02.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 323819 isix02.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 324009 isix02.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 323762 isix02.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 324015 isix02.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 323790 isix02.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 323927 isix02.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 323977 isix02.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 324014 isix02.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 324011 isix02.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 323903 isix02.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 323936 isix02.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 323907 isix02.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 323803 isix02.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 323886 isix02.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 323847 isix02.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 323815 isix02.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 323933 isix02.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 323813 isix02.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 323832 isix02.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 323830 isix02.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 323920 isix02.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 323767 isix02.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 323992 isix02.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 323905 isix02.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 323996 isix02.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 323782 isix02.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 323980 isix02.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 323928 isix02.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 323888 isix02.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 323961 isix02.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 323994 isix02.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 323877 isix02.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 323818 isix02.benchmarkcenter.megware.com {191,447}
[0] MPI startup(): 192 324005 isix02.benchmarkcenter.megware.com {192,448}
[0] MPI startup(): 193 323810 isix02.benchmarkcenter.megware.com {193,449}
[0] MPI startup(): 194 323950 isix02.benchmarkcenter.megware.com {194,450}
[0] MPI startup(): 195 323995 isix02.benchmarkcenter.megware.com {195,451}
[0] MPI startup(): 196 323923 isix02.benchmarkcenter.megware.com {196,452}
[0] MPI startup(): 197 323760 isix02.benchmarkcenter.megware.com {197,453}
[0] MPI startup(): 198 323967 isix02.benchmarkcenter.megware.com {198,454}
[0] MPI startup(): 199 323874 isix02.benchmarkcenter.megware.com {199,455}
[0] MPI startup(): 200 323931 isix02.benchmarkcenter.megware.com {200,456}
[0] MPI startup(): 201 323925 isix02.benchmarkcenter.megware.com {201,457}
[0] MPI startup(): 202 323808 isix02.benchmarkcenter.megware.com {202,458}
[0] MPI startup(): 203 323998 isix02.benchmarkcenter.megware.com {203,459}
[0] MPI startup(): 204 324013 isix02.benchmarkcenter.megware.com {204,460}
[0] MPI startup(): 205 324004 isix02.benchmarkcenter.megware.com {205,461}
[0] MPI startup(): 206 323775 isix02.benchmarkcenter.megware.com {206,462}
[0] MPI startup(): 207 323777 isix02.benchmarkcenter.megware.com {207,463}
[0] MPI startup(): 208 323827 isix02.benchmarkcenter.megware.com {208,464}
[0] MPI startup(): 209 323890 isix02.benchmarkcenter.megware.com {209,465}
[0] MPI startup(): 210 323945 isix02.benchmarkcenter.megware.com {210,466}
[0] MPI startup(): 211 323962 isix02.benchmarkcenter.megware.com {211,467}
[0] MPI startup(): 212 323930 isix02.benchmarkcenter.megware.com {212,468}
[0] MPI startup(): 213 323947 isix02.benchmarkcenter.megware.com {213,469}
[0] MPI startup(): 214 323867 isix02.benchmarkcenter.megware.com {214,470}
[0] MPI startup(): 215 324001 isix02.benchmarkcenter.megware.com {215,471}
[0] MPI startup(): 216 323899 isix02.benchmarkcenter.megware.com {216,472}
[0] MPI startup(): 217 323801 isix02.benchmarkcenter.megware.com {217,473}
[0] MPI startup(): 218 323765 isix02.benchmarkcenter.megware.com {218,474}
[0] MPI startup(): 219 323896 isix02.benchmarkcenter.megware.com {219,475}
[0] MPI startup(): 220 323788 isix02.benchmarkcenter.megware.com {220,476}
[0] MPI startup(): 221 323938 isix02.benchmarkcenter.megware.com {221,477}
[0] MPI startup(): 222 323990 isix02.benchmarkcenter.megware.com {222,478}
[0] MPI startup(): 223 323921 isix02.benchmarkcenter.megware.com {223,479}
[0] MPI startup(): 224 323783 isix02.benchmarkcenter.megware.com {224,480}
[0] MPI startup(): 225 323859 isix02.benchmarkcenter.megware.com {225,481}
[0] MPI startup(): 226 323885 isix02.benchmarkcenter.megware.com {226,482}
[0] MPI startup(): 227 324003 isix02.benchmarkcenter.megware.com {227,483}
[0] MPI startup(): 228 323991 isix02.benchmarkcenter.megware.com {228,484}
[0] MPI startup(): 229 323821 isix02.benchmarkcenter.megware.com {229,485}
[0] MPI startup(): 230 323862 isix02.benchmarkcenter.megware.com {230,486}
[0] MPI startup(): 231 323794 isix02.benchmarkcenter.megware.com {231,487}
[0] MPI startup(): 232 323759 isix02.benchmarkcenter.megware.com {232,488}
[0] MPI startup(): 233 324002 isix02.benchmarkcenter.megware.com {233,489}
[0] MPI startup(): 234 323978 isix02.benchmarkcenter.megware.com {234,490}
[0] MPI startup(): 235 323838 isix02.benchmarkcenter.megware.com {235,491}
[0] MPI startup(): 236 323952 isix02.benchmarkcenter.megware.com {236,492}
[0] MPI startup(): 237 323766 isix02.benchmarkcenter.megware.com {237,493}
[0] MPI startup(): 238 323804 isix02.benchmarkcenter.megware.com {238,494}
[0] MPI startup(): 239 323774 isix02.benchmarkcenter.megware.com {239,495}
[0] MPI startup(): 240 323828 isix02.benchmarkcenter.megware.com {240,496}
[0] MPI startup(): 241 323944 isix02.benchmarkcenter.megware.com {241,497}
[0] MPI startup(): 242 323911 isix02.benchmarkcenter.megware.com {242,498}
[0] MPI startup(): 243 323997 isix02.benchmarkcenter.megware.com {243,499}
[0] MPI startup(): 244 323849 isix02.benchmarkcenter.megware.com {244,500}
[0] MPI startup(): 245 323854 isix02.benchmarkcenter.megware.com {245,501}
[0] MPI startup(): 246 323809 isix02.benchmarkcenter.megware.com {246,502}
[0] MPI startup(): 247 323942 isix02.benchmarkcenter.megware.com {247,503}
[0] MPI startup(): 248 323948 isix02.benchmarkcenter.megware.com {248,504}
[0] MPI startup(): 249 323845 isix02.benchmarkcenter.megware.com {249,505}
[0] MPI startup(): 250 323891 isix02.benchmarkcenter.megware.com {250,506}
[0] MPI startup(): 251 323993 isix02.benchmarkcenter.megware.com {251,507}
[0] MPI startup(): 252 323820 isix02.benchmarkcenter.megware.com {252,508}
[0] MPI startup(): 253 323894 isix02.benchmarkcenter.megware.com {253,509}
[0] MPI startup(): 254 323802 isix02.benchmarkcenter.megware.com {254,510}
[0] MPI startup(): 255 323878 isix02.benchmarkcenter.megware.com {255,511}
OMP: pid 323801 tid 323801 thread 0 bound to OS proc set {217}
OMP: pid 323973 tid 323973 thread 0 bound to OS proc set {1}
OMP: pid 323972 tid 323972 thread 0 bound to OS proc set {36}
OMP: pid 323851 tid 323851 thread 0 bound to OS proc set {46}
OMP: pid 323835 tid 323835 thread 0 bound to OS proc set {107}
OMP: pid 323824 tid 323824 thread 0 bound to OS proc set {75}
OMP: pid 323822 tid 323822 thread 0 bound to OS proc set {100}
OMP: pid 323866 tid 323866 thread 0 bound to OS proc set {83}
OMP: pid 323852 tid 323852 thread 0 bound to OS proc set {127}
OMP: pid 323913 tid 323913 thread 0 bound to OS proc set {99}
OMP: pid 323836 tid 323836 thread 0 bound to OS proc set {66}
OMP: pid 323922 tid 323922 thread 0 bound to OS proc set {69}
OMP: pid 323977 tid 323977 thread 0 bound to OS proc set {165}
OMP: pid 324006 tid 324006 thread 0 bound to OS proc set {141}
OMP: pid 323865 tid 323865 thread 0 bound to OS proc set {67}
OMP: pid 323788 tid 323788 thread 0 bound to OS proc set {220}
OMP: pid 323915 tid 323915 thread 0 bound to OS proc set {155}
OMP: pid 323841 tid 323841 thread 0 bound to OS proc set {115}
OMP: pid 323804 tid 323804 thread 0 bound to OS proc set {238}
OMP: pid 323914 tid 323914 thread 0 bound to OS proc set {131}
OMP: pid 323811 tid 323811 thread 0 bound to OS proc set {125}
OMP: pid 323846 tid 323846 thread 0 bound to OS proc set {105}
OMP: pid 323784 tid 323784 thread 0 bound to OS proc set {41}
OMP: pid 323991 tid 323991 thread 0 bound to OS proc set {228}
OMP: pid 323785 tid 323785 thread 0 bound to OS proc set {95}
OMP: pid 323806 tid 323806 thread 0 bound to OS proc set {29}
OMP: pid 323856 tid 323856 thread 0 bound to OS proc set {48}
OMP: pid 323828 tid 323828 thread 0 bound to OS proc set {240}
OMP: pid 323765 tid 323765 thread 0 bound to OS proc set {218}
OMP: pid 323980 tid 323980 thread 0 bound to OS proc set {185}
OMP: pid 323878 tid 323878 thread 0 bound to OS proc set {255}
OMP: pid 323816 tid 323816 thread 0 bound to OS proc set {54}
OMP: pid 323921 tid 323921 thread 0 bound to OS proc set {223}
OMP: pid 323901 tid 323901 thread 0 bound to OS proc set {109}
OMP: pid 323931 tid 323931 thread 0 bound to OS proc set {200}
OMP: pid 323883 tid 323883 thread 0 bound to OS proc set {118}
OMP: pid 323779 tid 323779 thread 0 bound to OS proc set {5}
OMP: pid 323918 tid 323918 thread 0 bound to OS proc set {149}
OMP: pid 323792 tid 323792 thread 0 bound to OS proc set {70}
OMP: pid 323910 tid 323910 thread 0 bound to OS proc set {133}
OMP: pid 323843 tid 323843 thread 0 bound to OS proc set {77}
OMP: pid 323809 tid 323809 thread 0 bound to OS proc set {246}
OMP: pid 323955 tid 323955 thread 0 bound to OS proc set {18}
OMP: pid 323970 tid 323970 thread 0 bound to OS proc set {71}
OMP: pid 324014 tid 324014 thread 0 bound to OS proc set {166}
OMP: pid 323992 tid 323992 thread 0 bound to OS proc set {181}
OMP: pid 323982 tid 323982 thread 0 bound to OS proc set {16}
OMP: pid 323872 tid 323872 thread 0 bound to OS proc set {0}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 323917 tid 323917 thread 0 bound to OS proc set {144}
OMP: pid 323905 tid 323905 thread 0 bound to OS proc set {182}
OMP: pid 323783 tid 323783 thread 0 bound to OS proc set {224}
OMP: pid 323947 tid 323947 thread 0 bound to OS proc set {213}
OMP: pid 323791 tid 323791 thread 0 bound to OS proc set {28}
OMP: pid 323771 tid 323771 thread 0 bound to OS proc set {8}
OMP: pid 323940 tid 323940 thread 0 bound to OS proc set {22}
OMP: pid 323938 tid 323938 thread 0 bound to OS proc set {221}
OMP: pid 323782 tid 323782 thread 0 bound to OS proc set {184}
OMP: pid 323919 tid 323919 thread 0 bound to OS proc set {37}
OMP: pid 323840 tid 323840 thread 0 bound to OS proc set {79}
OMP: pid 323958 tid 323958 thread 0 bound to OS proc set {104}
OMP: pid 323900 tid 323900 thread 0 bound to OS proc set {134}
OMP: pid 324002 tid 324002 thread 0 bound to OS proc set {233}
OMP: pid 323769 tid 323769 thread 0 bound to OS proc set {35}
OMP: pid 323966 tid 323966 thread 0 bound to OS proc set {97}
OMP: pid 323959 tid 323959 thread 0 bound to OS proc set {56}
OMP: pid 323780 tid 323780 thread 0 bound to OS proc set {73}
OMP: pid 323998 tid 323998 thread 0 bound to OS proc set {203}
OMP: pid 323825 tid 323825 thread 0 bound to OS proc set {89}
OMP: pid 323976 tid 323976 thread 0 bound to OS proc set {34}
OMP: pid 323810 tid 323810 thread 0 bound to OS proc set {193}
OMP: pid 323925 tid 323925 thread 0 bound to OS proc set {201}
OMP: pid 323997 tid 323997 thread 0 bound to OS proc set {243}
OMP: pid 323861 tid 323861 thread 0 bound to OS proc set {68}
OMP: pid 323899 tid 323899 thread 0 bound to OS proc set {216}
OMP: pid 323845 tid 323845 thread 0 bound to OS proc set {249}
OMP: pid 323818 tid 323818 thread 0 bound to OS proc set {191}
OMP: pid 323832 tid 323832 thread 0 bound to OS proc set {177}
OMP: pid 323821 tid 323821 thread 0 bound to OS proc set {229}
OMP: pid 323995 tid 323995 thread 0 bound to OS proc set {195}
OMP: pid 323928 tid 323928 thread 0 bound to OS proc set {186}
OMP: pid 323849 tid 323849 thread 0 bound to OS proc set {244}
OMP: pid 323838 tid 323838 thread 0 bound to OS proc set {235}
OMP: pid 323989 tid 323989 thread 0 bound to OS proc set {64}
OMP: pid 323772 tid 323772 thread 0 bound to OS proc set {10}
OMP: pid 323935 tid 323935 thread 0 bound to OS proc set {136}
OMP: pid 323962 tid 323962 thread 0 bound to OS proc set {211}
OMP: pid 323794 tid 323794 thread 0 bound to OS proc set {231}
OMP: pid 323842 tid 323842 thread 0 bound to OS proc set {85}
OMP: pid 323802 tid 323802 thread 0 bound to OS proc set {254}
OMP: pid 323907 tid 323907 thread 0 bound to OS proc set {170}
OMP: pid 323853 tid 323853 thread 0 bound to OS proc set {117}
OMP: pid 323763 tid 323763 thread 0 bound to OS proc set {53}
OMP: pid 323933 tid 323933 thread 0 bound to OS proc set {175}
OMP: pid 324009 tid 324009 thread 0 bound to OS proc set {160}
OMP: pid 323820 tid 323820 thread 0 bound to OS proc set {252}
OMP: pid 324010 tid 324010 thread 0 bound to OS proc set {145}
OMP: pid 323854 tid 323854 thread 0 bound to OS proc set {245}
OMP: pid 323850 tid 323850 thread 0 bound to OS proc set {55}
OMP: pid 323978 tid 323978 thread 0 bound to OS proc set {234}
OMP: pid 323873 tid 323873 thread 0 bound to OS proc set {138}
OMP: pid 323888 tid 323888 thread 0 bound to OS proc set {187}
OMP: pid 323942 tid 323942 thread 0 bound to OS proc set {247}
OMP: pid 323916 tid 323916 thread 0 bound to OS proc set {72}
OMP: pid 323986 tid 323986 thread 0 bound to OS proc set {59}
OMP: pid 323889 tid 323889 thread 0 bound to OS proc set {90}
OMP: pid 324004 tid 324004 thread 0 bound to OS proc set {205}
OMP: pid 323949 tid 323949 thread 0 bound to OS proc set {88}
OMP: pid 323760 tid 323760 thread 0 bound to OS proc set {197}
OMP: pid 323795 tid 323795 thread 0 bound to OS proc set {33}
OMP: pid 324000 tid 324000 thread 0 bound to OS proc set {119}
OMP: pid 323762 tid 323762 thread 0 bound to OS proc set {161}
OMP: pid 323930 tid 323930 thread 0 bound to OS proc set {212}
OMP: pid 323864 tid 323864 thread 0 bound to OS proc set {116}
OMP: pid 323807 tid 323807 thread 0 bound to OS proc set {45}
OMP: pid 323761 tid 323761 thread 0 bound to OS proc set {76}
OMP: pid 323857 tid 323857 thread 0 bound to OS proc set {121}
OMP: pid 323834 tid 323834 thread 0 bound to OS proc set {158}
OMP: pid 323803 tid 323803 thread 0 bound to OS proc set {171}
OMP: pid 323999 tid 323999 thread 0 bound to OS proc set {111}
OMP: pid 323781 tid 323781 thread 0 bound to OS proc set {49}
OMP: pid 323948 tid 323948 thread 0 bound to OS proc set {248}
OMP: pid 323758 tid 323758 thread 0 bound to OS proc set {91}
OMP: pid 323790 tid 323790 thread 0 bound to OS proc set {163}
OMP: pid 323990 tid 323990 thread 0 bound to OS proc set {222}
OMP: pid 323893 tid 323893 thread 0 bound to OS proc set {114}
OMP: pid 323867 tid 323867 thread 0 bound to OS proc set {214}
OMP: pid 323847 tid 323847 thread 0 bound to OS proc set {173}
OMP: pid 323971 tid 323971 thread 0 bound to OS proc set {146}
OMP: pid 324007 tid 324007 thread 0 bound to OS proc set {128}
OMP: pid 323776 tid 323776 thread 0 bound to OS proc set {139}
OMP: pid 323904 tid 323904 thread 0 bound to OS proc set {24}
OMP: pid 323886 tid 323886 thread 0 bound to OS proc set {172}
OMP: pid 323939 tid 323939 thread 0 bound to OS proc set {120}
OMP: pid 323985 tid 323985 thread 0 bound to OS proc set {126}
OMP: pid 324001 tid 324001 thread 0 bound to OS proc set {215}
OMP: pid 323880 tid 323880 thread 0 bound to OS proc set {21}
OMP: pid 323817 tid 323817 thread 0 bound to OS proc set {74}
OMP: pid 323908 tid 323908 thread 0 bound to OS proc set {103}
OMP: pid 323957 tid 323957 thread 0 bound to OS proc set {143}
OMP: pid 323909 tid 323909 thread 0 bound to OS proc set {58}
OMP: pid 323924 tid 323924 thread 0 bound to OS proc set {142}
OMP: pid 323812 tid 323812 thread 0 bound to OS proc set {43}
OMP: pid 323863 tid 323863 thread 0 bound to OS proc set {65}
OMP: pid 323963 tid 323963 thread 0 bound to OS proc set {156}
OMP: pid 323961 tid 323961 thread 0 bound to OS proc set {188}
OMP: pid 324011 tid 324011 thread 0 bound to OS proc set {167}
OMP: pid 323891 tid 323891 thread 0 bound to OS proc set {250}
OMP: pid 323923 tid 323923 thread 0 bound to OS proc set {196}
OMP: pid 323766 tid 323766 thread 0 bound to OS proc set {237}
OMP: pid 323929 tid 323929 thread 0 bound to OS proc set {80}
OMP: pid 323777 tid 323777 thread 0 bound to OS proc set {207}
OMP: pid 323813 tid 323813 thread 0 bound to OS proc set {176}
OMP: pid 323774 tid 323774 thread 0 bound to OS proc set {239}
OMP: pid 323833 tid 323833 thread 0 bound to OS proc set {13}
OMP: pid 323920 tid 323920 thread 0 bound to OS proc set {179}
OMP: pid 324016 tid 324016 thread 0 bound to OS proc set {130}
OMP: pid 323830 tid 323830 thread 0 bound to OS proc set {178}
OMP: pid 323768 tid 323768 thread 0 bound to OS proc set {63}
OMP: pid 323960 tid 323960 thread 0 bound to OS proc set {42}
OMP: pid 324003 tid 324003 thread 0 bound to OS proc set {227}
OMP: pid 323839 tid 323839 thread 0 bound to OS proc set {52}
OMP: pid 323964 tid 323964 thread 0 bound to OS proc set {153}
OMP: pid 323906 tid 323906 thread 0 bound to OS proc set {12}
OMP: pid 323860 tid 323860 thread 0 bound to OS proc set {94}
OMP: pid 323946 tid 323946 thread 0 bound to OS proc set {106}
OMP: pid 323937 tid 323937 thread 0 bound to OS proc set {27}
OMP: pid 323767 tid 323767 thread 0 bound to OS proc set {180}
OMP: pid 323787 tid 323787 thread 0 bound to OS proc set {96}
OMP: pid 323944 tid 323944 thread 0 bound to OS proc set {241}
OMP: pid 323967 tid 323967 thread 0 bound to OS proc set {198}
OMP: pid 323881 tid 323881 thread 0 bound to OS proc set {39}
OMP: pid 323965 tid 323965 thread 0 bound to OS proc set {50}
OMP: pid 323759 tid 323759 thread 0 bound to OS proc set {232}
OMP: pid 323800 tid 323800 thread 0 bound to OS proc set {15}
OMP: pid 323859 tid 323859 thread 0 bound to OS proc set {225}
OMP: pid 324017 tid 324017 thread 0 bound to OS proc set {23}
OMP: pid 323882 tid 323882 thread 0 bound to OS proc set {98}
OMP: pid 323945 tid 323945 thread 0 bound to OS proc set {210}
OMP: pid 323993 tid 323993 thread 0 bound to OS proc set {251}
OMP: pid 324005 tid 324005 thread 0 bound to OS proc set {192}
OMP: pid 323911 tid 323911 thread 0 bound to OS proc set {242}
OMP: pid 323987 tid 323987 thread 0 bound to OS proc set {57}
OMP: pid 324013 tid 324013 thread 0 bound to OS proc set {204}
OMP: pid 323884 tid 323884 thread 0 bound to OS proc set {151}
OMP: pid 323897 tid 323897 thread 0 bound to OS proc set {123}
OMP: pid 323848 tid 323848 thread 0 bound to OS proc set {2}
OMP: pid 323796 tid 323796 thread 0 bound to OS proc set {124}
OMP: pid 323868 tid 323868 thread 0 bound to OS proc set {40}
OMP: pid 323996 tid 323996 thread 0 bound to OS proc set {183}
OMP: pid 323770 tid 323770 thread 0 bound to OS proc set {84}
OMP: pid 323844 tid 323844 thread 0 bound to OS proc set {101}
OMP: pid 323934 tid 323934 thread 0 bound to OS proc set {150}
OMP: pid 323862 tid 323862 thread 0 bound to OS proc set {230}
OMP: pid 323887 tid 323887 thread 0 bound to OS proc set {62}
OMP: pid 323926 tid 323926 thread 0 bound to OS proc set {7}
OMP: pid 323797 tid 323797 thread 0 bound to OS proc set {32}
OMP: pid 323885 tid 323885 thread 0 bound to OS proc set {226}
OMP: pid 323952 tid 323952 thread 0 bound to OS proc set {236}
OMP: pid 323876 tid 323876 thread 0 bound to OS proc set {86}
OMP: pid 323877 tid 323877 thread 0 bound to OS proc set {190}
OMP: pid 323890 tid 323890 thread 0 bound to OS proc set {209}
OMP: pid 323927 tid 323927 thread 0 bound to OS proc set {164}
OMP: pid 323903 tid 323903 thread 0 bound to OS proc set {168}
OMP: pid 323902 tid 323902 thread 0 bound to OS proc set {129}
OMP: pid 323969 tid 323969 thread 0 bound to OS proc set {154}
OMP: pid 323975 tid 323975 thread 0 bound to OS proc set {132}
OMP: pid 323932 tid 323932 thread 0 bound to OS proc set {4}
OMP: pid 323943 tid 323943 thread 0 bound to OS proc set {20}
OMP: pid 323819 tid 323819 thread 0 bound to OS proc set {159}
OMP: pid 323764 tid 323764 thread 0 bound to OS proc set {140}
OMP: pid 323815 tid 323815 thread 0 bound to OS proc set {174}
OMP: pid 323831 tid 323831 thread 0 bound to OS proc set {93}
OMP: pid 323826 tid 323826 thread 0 bound to OS proc set {152}
OMP: pid 323778 tid 323778 thread 0 bound to OS proc set {31}
OMP: pid 323823 tid 323823 thread 0 bound to OS proc set {44}
OMP: pid 324008 tid 324008 thread 0 bound to OS proc set {157}
OMP: pid 323898 tid 323898 thread 0 bound to OS proc set {87}
OMP: pid 323808 tid 323808 thread 0 bound to OS proc set {202}
OMP: pid 323874 tid 323874 thread 0 bound to OS proc set {199}
OMP: pid 323786 tid 323786 thread 0 bound to OS proc set {122}
OMP: pid 323896 tid 323896 thread 0 bound to OS proc set {219}
OMP: pid 323984 tid 323984 thread 0 bound to OS proc set {108}
OMP: pid 323988 tid 323988 thread 0 bound to OS proc set {61}
OMP: pid 323837 tid 323837 thread 0 bound to OS proc set {102}
OMP: pid 323869 tid 323869 thread 0 bound to OS proc set {92}
OMP: pid 324018 tid 324018 thread 0 bound to OS proc set {135}
OMP: pid 323981 tid 323981 thread 0 bound to OS proc set {6}
OMP: pid 323936 tid 323936 thread 0 bound to OS proc set {169}
OMP: pid 323827 tid 323827 thread 0 bound to OS proc set {208}
OMP: pid 323951 tid 323951 thread 0 bound to OS proc set {112}
OMP: pid 323799 tid 323799 thread 0 bound to OS proc set {81}
OMP: pid 323983 tid 323983 thread 0 bound to OS proc set {113}
OMP: pid 323858 tid 323858 thread 0 bound to OS proc set {47}
OMP: pid 323968 tid 323968 thread 0 bound to OS proc set {147}
OMP: pid 323994 tid 323994 thread 0 bound to OS proc set {189}
OMP: pid 323941 tid 323941 thread 0 bound to OS proc set {51}
OMP: pid 323775 tid 323775 thread 0 bound to OS proc set {206}
OMP: pid 323829 tid 323829 thread 0 bound to OS proc set {19}
OMP: pid 323892 tid 323892 thread 0 bound to OS proc set {9}
OMP: pid 323805 tid 323805 thread 0 bound to OS proc set {26}
OMP: pid 323875 tid 323875 thread 0 bound to OS proc set {137}
OMP: pid 323855 tid 323855 thread 0 bound to OS proc set {78}
OMP: pid 323757 tid 323757 thread 0 bound to OS proc set {30}
OMP: pid 323953 tid 323953 thread 0 bound to OS proc set {11}
OMP: pid 323912 tid 323912 thread 0 bound to OS proc set {25}
OMP: pid 323871 tid 323871 thread 0 bound to OS proc set {38}
OMP: pid 324012 tid 324012 thread 0 bound to OS proc set {110}
OMP: pid 323950 tid 323950 thread 0 bound to OS proc set {194}
OMP: pid 323974 tid 323974 thread 0 bound to OS proc set {3}
OMP: pid 323879 tid 323879 thread 0 bound to OS proc set {14}
OMP: pid 323773 tid 323773 thread 0 bound to OS proc set {60}
OMP: pid 323956 tid 323956 thread 0 bound to OS proc set {82}
OMP: pid 323793 tid 323793 thread 0 bound to OS proc set {17}
OMP: pid 323798 tid 323798 thread 0 bound to OS proc set {148}
OMP: pid 324015 tid 324015 thread 0 bound to OS proc set {162}
OMP: pid 323894 tid 323894 thread 0 bound to OS proc set {253}
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 8 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
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
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/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 1.31657 on 256 procs for 10 steps with 32768000 atoms
Performance: 3.281 ns/day, 7.314 hours/ns, 7.595 timesteps/s, 248.889 Matom-step/s
62.8% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.75856 | 0.80471 | 0.92922 | 3.5 | 61.12
Neigh | 0.032434 | 0.03398 | 0.041059 | 0.5 | 2.58
Comm | 0.19259 | 0.2628 | 0.33085 | 4.8 | 19.96
Output | 0.016721 | 0.020128 | 0.024982 | 0.8 | 1.53
Modify | 0.069822 | 0.12331 | 0.1516 | 4.6 | 9.37
Other | | 0.07165 | | | 5.44
Nlocal: 128000 ave 128127 max 127867 min
Histogram: 4 14 23 26 63 44 35 24 16 7
Nghost: 49871 ave 50004 max 49744 min
Histogram: 7 16 22 36 43 63 27 24 13 5
Neighs: 4.81815e+06 ave 4.84289e+06 max 4.79425e+06 min
Histogram: 26 42 51 9 0 0 18 49 44 17
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202400.0 / Intel(R) oneAPI DPC++/C++ Compiler 2024.0.0 (2024.0.0.20231017)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68645 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84597 -1.1257917e+08 0 -1.0919981e+08 51536.934
500 797.7245 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.153
Loop time of 36.2339 on 256 procs for 500 steps with 32768000 atoms
Performance: 5.961 ns/day, 4.026 hours/ns, 13.799 timesteps/s, 452.173 Matom-step/s
97.0% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 23.704 | 24.302 | 25.684 | 6.5 | 67.07
Neigh | 2.7378 | 2.799 | 3.2234 | 2.6 | 7.72
Comm | 4.0635 | 4.988 | 6.2788 | 22.8 | 13.77
Output | 0.031409 | 0.047394 | 0.065969 | 4.0 | 0.13
Modify | 1.8903 | 3.0899 | 3.9164 | 27.6 | 8.53
Other | | 1.008 | | | 2.78
Nlocal: 128000 ave 128318 max 127678 min
Histogram: 5 17 25 37 42 39 44 25 17 5
Nghost: 49867.6 ave 50189 max 49551 min
Histogram: 7 16 24 42 41 41 38 25 16 6
Neighs: 4.83163e+06 ave 4.86165e+06 max 4.79904e+06 min
Histogram: 6 18 38 38 21 18 39 39 33 6
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747093
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:39
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/multicore/icx_2/oneview_results_1758055388/tools/lprof_npsu_run_9 #
#######################################################################################################################################################################################################################
