* [MAQAO] Info: Detected 6 Lprof instances in isix03.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 270445 isix03.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 270441 isix03.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 270442 isix03.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 270446 isix03.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 270444 isix03.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 270443 isix03.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 270441 tid 270441 thread 0 bound to OS proc set {298}
OMP: pid 270443 tid 270443 thread 0 bound to OS proc set {468}
OMP: pid 270445 tid 270445 thread 0 bound to OS proc set {0}
OMP: pid 270446 tid 270446 thread 0 bound to OS proc set {383}
OMP: pid 270444 tid 270444 thread 0 bound to OS proc set {170}
OMP: pid 270442 tid 270442 thread 0 bound to OS proc set {85}
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
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1958 | 1962 | 1967 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 33.8382 on 6 procs for 10 steps with 32768000 atoms
Performance: 0.128 ns/day, 187.990 hours/ns, 0.296 timesteps/s, 9.684 Matom-step/s
99.4% CPU use with 6 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 26.997 | 27.426 | 27.645 | 5.6 | 81.05
Neigh | 5.1149 | 5.2188 | 5.2747 | 3.1 | 15.42
Comm | 0.24746 | 0.53257 | 1.0806 | 51.6 | 1.57
Output | 0.010442 | 0.011783 | 0.012642 | 0.6 | 0.03
Modify | 0.43028 | 0.44689 | 0.48504 | 2.9 | 1.32
Other | | 0.2018 | | | 0.60
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 541239 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 = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1958 | 1962 | 1967 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 2402.6 on 6 procs for 500 steps with 32768000 atoms
Performance: 0.090 ns/day, 266.956 hours/ns, 0.208 timesteps/s, 6.819 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 | 1830.7 | 1869.9 | 1892.2 | 63.3 | 77.83
Neigh | 448.09 | 458.58 | 464.59 | 34.1 | 19.09
Comm | 14.827 | 42.939 | 93.477 | 538.5 | 1.79
Output | 0.11437 | 0.13161 | 0.14144 | 2.4 | 0.01
Modify | 21.265 | 22.146 | 24.065 | 20.3 | 0.92
Other | | 8.943 | | | 0.37
Nlocal: 5.46133e+06 ave 5.46624e+06 max 5.45254e+06 min
Histogram: 2 0 0 0 0 0 0 0 1 3
Nghost: 541920 ave 543181 max 540718 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 = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:40:52
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_0 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 96 Lprof instances in isix03.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 270943 isix03.benchmarkcenter.megware.com {0,1,2,256,257}
[0] MPI startup(): 1 270956 isix03.benchmarkcenter.megware.com {3,4,258,259,260}
[0] MPI startup(): 2 271000 isix03.benchmarkcenter.megware.com {5,6,7,261,262}
[0] MPI startup(): 3 270922 isix03.benchmarkcenter.megware.com {8,9,263,264,265}
[0] MPI startup(): 4 270996 isix03.benchmarkcenter.megware.com {10,11,12,266,267}
[0] MPI startup(): 5 270911 isix03.benchmarkcenter.megware.com {13,14,268,269,270}
[0] MPI startup(): 6 270997 isix03.benchmarkcenter.megware.com {15,16,17,271,272}
[0] MPI startup(): 7 270998 isix03.benchmarkcenter.megware.com {18,19,273,274,275}
[0] MPI startup(): 8 270968 isix03.benchmarkcenter.megware.com {20,21,22,276,277}
[0] MPI startup(): 9 270957 isix03.benchmarkcenter.megware.com {23,24,278,279,280}
[0] MPI startup(): 10 270953 isix03.benchmarkcenter.megware.com {25,26,27,281,282}
[0] MPI startup(): 11 270963 isix03.benchmarkcenter.megware.com {28,29,283,284,285}
[0] MPI startup(): 12 270921 isix03.benchmarkcenter.megware.com {30,31,32,286,287}
[0] MPI startup(): 13 270917 isix03.benchmarkcenter.megware.com {33,34,288,289,290}
[0] MPI startup(): 14 270999 isix03.benchmarkcenter.megware.com {35,36,37,291,292}
[0] MPI startup(): 15 270955 isix03.benchmarkcenter.megware.com {38,39,293,294,295}
[0] MPI startup(): 16 270967 isix03.benchmarkcenter.megware.com {40,41,42,296,297}
[0] MPI startup(): 17 270979 isix03.benchmarkcenter.megware.com {43,44,298,299,300}
[0] MPI startup(): 18 270954 isix03.benchmarkcenter.megware.com {45,46,47,301,302}
[0] MPI startup(): 19 270983 isix03.benchmarkcenter.megware.com {48,49,303,304,305}
[0] MPI startup(): 20 270961 isix03.benchmarkcenter.megware.com {50,51,52,306,307}
[0] MPI startup(): 21 270913 isix03.benchmarkcenter.megware.com {53,54,308,309,310}
[0] MPI startup(): 22 270958 isix03.benchmarkcenter.megware.com {55,56,57,311,312}
[0] MPI startup(): 23 270978 isix03.benchmarkcenter.megware.com {58,59,313,314,315}
[0] MPI startup(): 24 270980 isix03.benchmarkcenter.megware.com {60,61,62,316,317}
[0] MPI startup(): 25 270962 isix03.benchmarkcenter.megware.com {63,64,318,319,320}
[0] MPI startup(): 26 270920 isix03.benchmarkcenter.megware.com {65,66,67,321,322}
[0] MPI startup(): 27 270985 isix03.benchmarkcenter.megware.com {68,69,323,324,325}
[0] MPI startup(): 28 270924 isix03.benchmarkcenter.megware.com {70,71,72,326,327}
[0] MPI startup(): 29 270989 isix03.benchmarkcenter.megware.com {73,74,328,329,330}
[0] MPI startup(): 30 270975 isix03.benchmarkcenter.megware.com {75,76,77,331,332}
[0] MPI startup(): 31 270970 isix03.benchmarkcenter.megware.com {78,79,333,334,335}
[0] MPI startup(): 32 270982 isix03.benchmarkcenter.megware.com {80,81,82,336,337}
[0] MPI startup(): 33 270984 isix03.benchmarkcenter.megware.com {83,84,338,339,340}
[0] MPI startup(): 34 270988 isix03.benchmarkcenter.megware.com {85,86,87,341,342}
[0] MPI startup(): 35 270939 isix03.benchmarkcenter.megware.com {88,89,343,344,345}
[0] MPI startup(): 36 270930 isix03.benchmarkcenter.megware.com {90,91,92,346,347}
[0] MPI startup(): 37 270944 isix03.benchmarkcenter.megware.com {93,94,348,349,350}
[0] MPI startup(): 38 270931 isix03.benchmarkcenter.megware.com {95,96,97,351,352}
[0] MPI startup(): 39 270946 isix03.benchmarkcenter.megware.com {98,99,353,354,355}
[0] MPI startup(): 40 270987 isix03.benchmarkcenter.megware.com {100,101,102,356,357}
[0] MPI startup(): 41 270969 isix03.benchmarkcenter.megware.com {103,104,358,359,360}
[0] MPI startup(): 42 270990 isix03.benchmarkcenter.megware.com {105,106,107,361,362}
[0] MPI startup(): 43 270929 isix03.benchmarkcenter.megware.com {108,109,363,364,365}
[0] MPI startup(): 44 270966 isix03.benchmarkcenter.megware.com {110,111,112,366,367}
[0] MPI startup(): 45 270992 isix03.benchmarkcenter.megware.com {113,114,368,369,370}
[0] MPI startup(): 46 270934 isix03.benchmarkcenter.megware.com {115,116,117,371,372}
[0] MPI startup(): 47 270951 isix03.benchmarkcenter.megware.com {118,119,373,374,375}
[0] MPI startup(): 48 271005 isix03.benchmarkcenter.megware.com {120,121,122,376,377}
[0] MPI startup(): 49 270925 isix03.benchmarkcenter.megware.com {123,124,378,379,380}
[0] MPI startup(): 50 270919 isix03.benchmarkcenter.megware.com {125,126,127,381,382}
[0] MPI startup(): 51 271002 isix03.benchmarkcenter.megware.com {128,129,383,384,385}
[0] MPI startup(): 52 270927 isix03.benchmarkcenter.megware.com {130,131,132,386,387}
[0] MPI startup(): 53 271004 isix03.benchmarkcenter.megware.com {133,134,388,389,390}
[0] MPI startup(): 54 270942 isix03.benchmarkcenter.megware.com {135,136,137,391,392}
[0] MPI startup(): 55 270977 isix03.benchmarkcenter.megware.com {138,139,393,394,395}
[0] MPI startup(): 56 270949 isix03.benchmarkcenter.megware.com {140,141,142,396,397}
[0] MPI startup(): 57 270974 isix03.benchmarkcenter.megware.com {143,144,398,399,400}
[0] MPI startup(): 58 270976 isix03.benchmarkcenter.megware.com {145,146,147,401,402}
[0] MPI startup(): 59 270971 isix03.benchmarkcenter.megware.com {148,149,403,404,405}
[0] MPI startup(): 60 270959 isix03.benchmarkcenter.megware.com {150,151,152,406,407}
[0] MPI startup(): 61 270950 isix03.benchmarkcenter.megware.com {153,154,408,409,410}
[0] MPI startup(): 62 271008 isix03.benchmarkcenter.megware.com {155,156,157,411,412}
[0] MPI startup(): 63 270912 isix03.benchmarkcenter.megware.com {158,159,413,414,415}
[0] MPI startup(): 64 271003 isix03.benchmarkcenter.megware.com {160,161,162,416,417}
[0] MPI startup(): 65 270947 isix03.benchmarkcenter.megware.com {163,164,418,419,420}
[0] MPI startup(): 66 271001 isix03.benchmarkcenter.megware.com {165,166,167,421,422}
[0] MPI startup(): 67 270926 isix03.benchmarkcenter.megware.com {168,169,423,424,425}
[0] MPI startup(): 68 270937 isix03.benchmarkcenter.megware.com {170,171,172,426,427}
[0] MPI startup(): 69 270945 isix03.benchmarkcenter.megware.com {173,174,428,429,430}
[0] MPI startup(): 70 270935 isix03.benchmarkcenter.megware.com {175,176,177,431,432}
[0] MPI startup(): 71 270938 isix03.benchmarkcenter.megware.com {178,179,433,434,435}
[0] MPI startup(): 72 270995 isix03.benchmarkcenter.megware.com {180,181,182,436,437}
[0] MPI startup(): 73 270960 isix03.benchmarkcenter.megware.com {183,184,438,439,440}
[0] MPI startup(): 74 270941 isix03.benchmarkcenter.megware.com {185,186,187,441,442}
[0] MPI startup(): 75 270948 isix03.benchmarkcenter.megware.com {188,189,443,444,445}
[0] MPI startup(): 76 270936 isix03.benchmarkcenter.megware.com {190,191,192,446,447}
[0] MPI startup(): 77 270994 isix03.benchmarkcenter.megware.com {193,194,448,449,450}
[0] MPI startup(): 78 270932 isix03.benchmarkcenter.megware.com {195,196,197,451,452}
[0] MPI startup(): 79 270933 isix03.benchmarkcenter.megware.com {198,199,453,454,455}
[0] MPI startup(): 80 270991 isix03.benchmarkcenter.megware.com {200,201,202,456,457}
[0] MPI startup(): 81 270910 isix03.benchmarkcenter.megware.com {203,204,458,459,460}
[0] MPI startup(): 82 270964 isix03.benchmarkcenter.megware.com {205,206,207,461,462}
[0] MPI startup(): 83 270993 isix03.benchmarkcenter.megware.com {208,209,463,464,465}
[0] MPI startup(): 84 270973 isix03.benchmarkcenter.megware.com {210,211,212,466,467}
[0] MPI startup(): 85 270972 isix03.benchmarkcenter.megware.com {213,214,468,469,470}
[0] MPI startup(): 86 270965 isix03.benchmarkcenter.megware.com {215,216,217,471,472}
[0] MPI startup(): 87 270928 isix03.benchmarkcenter.megware.com {218,219,473,474,475}
[0] MPI startup(): 88 270915 isix03.benchmarkcenter.megware.com {220,221,222,476,477}
[0] MPI startup(): 89 270916 isix03.benchmarkcenter.megware.com {223,224,478,479,480}
[0] MPI startup(): 90 270986 isix03.benchmarkcenter.megware.com {225,226,227,481,482}
[0] MPI startup(): 91 271006 isix03.benchmarkcenter.megware.com {228,229,483,484,485}
[0] MPI startup(): 92 271007 isix03.benchmarkcenter.megware.com {230,231,232,486,487}
[0] MPI startup(): 93 270914 isix03.benchmarkcenter.megware.com {233,234,488,489,490}
[0] MPI startup(): 94 270940 isix03.benchmarkcenter.megware.com {235,236,237,491,492}
[0] MPI startup(): 95 270918 isix03.benchmarkcenter.megware.com {238,239,493,494,495}
OMP: pid 270953 tid 270953 thread 0 bound to OS proc set {25}
OMP: pid 270912 tid 270912 thread 0 bound to OS proc set {413}
OMP: pid 270993 tid 270993 thread 0 bound to OS proc set {463}
OMP: pid 270970 tid 270970 thread 0 bound to OS proc set {333}
OMP: pid 270969 tid 270969 thread 0 bound to OS proc set {358}
OMP: pid 270972 tid 270972 thread 0 bound to OS proc set {468}
OMP: pid 270930 tid 270930 thread 0 bound to OS proc set {90}
OMP: pid 270973 tid 270973 thread 0 bound to OS proc set {210}
OMP: pid 270924 tid 270924 thread 0 bound to OS proc set {70}
OMP: pid 270917 tid 270917 thread 0 bound to OS proc set {288}
OMP: pid 270974 tid 270974 thread 0 bound to OS proc set {398}
OMP: pid 270916 tid 270916 thread 0 bound to OS proc set {478}
OMP: pid 270940 tid 270940 thread 0 bound to OS proc set {235}
OMP: pid 270958 tid 270958 thread 0 bound to OS proc set {55}
OMP: pid 270938 tid 270938 thread 0 bound to OS proc set {433}
OMP: pid 270910 tid 270910 thread 0 bound to OS proc set {458}
OMP: pid 270994 tid 270994 thread 0 bound to OS proc set {448}
OMP: pid 270913 tid 270913 thread 0 bound to OS proc set {308}
OMP: pid 271004 tid 271004 thread 0 bound to OS proc set {388}
OMP: pid 270936 tid 270936 thread 0 bound to OS proc set {190}
OMP: pid 270987 tid 270987 thread 0 bound to OS proc set {100}
OMP: pid 270943 tid 270943 thread 0 bound to OS proc set {0}
OMP: pid 270965 tid 270965 thread 0 bound to OS proc set {215}
LAMMPS (22 Jul 2025)
OMP: pid 270914 tid 270914 thread 0 bound to OS proc set {488}
using 1 OpenMP thread(s) per MPI task
OMP: pid 270919 tid 270919 thread 0 bound to OS proc set {125}
OMP: pid 270978 tid 270978 thread 0 bound to OS proc set {313}
OMP: pid 270945 tid 270945 thread 0 bound to OS proc set {428}
OMP: pid 270935 tid 270935 thread 0 bound to OS proc set {175}
OMP: pid 270980 tid 270980 thread 0 bound to OS proc set {60}
OMP: pid 270999 tid 270999 thread 0 bound to OS proc set {35}
OMP: pid 270925 tid 270925 thread 0 bound to OS proc set {378}
OMP: pid 271002 tid 271002 thread 0 bound to OS proc set {383}
OMP: pid 271003 tid 271003 thread 0 bound to OS proc set {160}
OMP: pid 270946 tid 270946 thread 0 bound to OS proc set {353}
OMP: pid 270948 tid 270948 thread 0 bound to OS proc set {443}
OMP: pid 270920 tid 270920 thread 0 bound to OS proc set {65}
OMP: pid 270942 tid 270942 thread 0 bound to OS proc set {135}
OMP: pid 270933 tid 270933 thread 0 bound to OS proc set {453}
OMP: pid 270929 tid 270929 thread 0 bound to OS proc set {363}
OMP: pid 270975 tid 270975 thread 0 bound to OS proc set {75}
OMP: pid 270966 tid 270966 thread 0 bound to OS proc set {110}
OMP: pid 270990 tid 270990 thread 0 bound to OS proc set {105}
OMP: pid 270922 tid 270922 thread 0 bound to OS proc set {263}
OMP: pid 270989 tid 270989 thread 0 bound to OS proc set {328}
OMP: pid 270928 tid 270928 thread 0 bound to OS proc set {473}
OMP: pid 270944 tid 270944 thread 0 bound to OS proc set {348}
OMP: pid 270954 tid 270954 thread 0 bound to OS proc set {45}
OMP: pid 270927 tid 270927 thread 0 bound to OS proc set {130}
OMP: pid 270931 tid 270931 thread 0 bound to OS proc set {95}
OMP: pid 270949 tid 270949 thread 0 bound to OS proc set {140}
OMP: pid 270982 tid 270982 thread 0 bound to OS proc set {80}
OMP: pid 270998 tid 270998 thread 0 bound to OS proc set {273}
OMP: pid 270995 tid 270995 thread 0 bound to OS proc set {180}
OMP: pid 270941 tid 270941 thread 0 bound to OS proc set {185}
OMP: pid 270964 tid 270964 thread 0 bound to OS proc set {205}
OMP: pid 270939 tid 270939 thread 0 bound to OS proc set {343}
OMP: pid 271008 tid 271008 thread 0 bound to OS proc set {155}
OMP: pid 270961 tid 270961 thread 0 bound to OS proc set {50}
OMP: pid 270984 tid 270984 thread 0 bound to OS proc set {338}
OMP: pid 270996 tid 270996 thread 0 bound to OS proc set {10}
OMP: pid 270986 tid 270986 thread 0 bound to OS proc set {225}
OMP: pid 270950 tid 270950 thread 0 bound to OS proc set {408}
OMP: pid 270959 tid 270959 thread 0 bound to OS proc set {150}
OMP: pid 270960 tid 270960 thread 0 bound to OS proc set {438}
OMP: pid 270947 tid 270947 thread 0 bound to OS proc set {418}
OMP: pid 270971 tid 270971 thread 0 bound to OS proc set {403}
OMP: pid 270979 tid 270979 thread 0 bound to OS proc set {298}
OMP: pid 270976 tid 270976 thread 0 bound to OS proc set {145}
OMP: pid 270963 tid 270963 thread 0 bound to OS proc set {283}
OMP: pid 270915 tid 270915 thread 0 bound to OS proc set {220}
OMP: pid 270988 tid 270988 thread 0 bound to OS proc set {85}
OMP: pid 271005 tid 271005 thread 0 bound to OS proc set {120}
OMP: pid 270962 tid 270962 thread 0 bound to OS proc set {318}
OMP: pid 270985 tid 270985 thread 0 bound to OS proc set {323}
OMP: pid 270921 tid 270921 thread 0 bound to OS proc set {30}
OMP: pid 271001 tid 271001 thread 0 bound to OS proc set {165}
OMP: pid 270918 tid 270918 thread 0 bound to OS proc set {493}
OMP: pid 270937 tid 270937 thread 0 bound to OS proc set {170}
OMP: pid 270956 tid 270956 thread 0 bound to OS proc set {258}
OMP: pid 271007 tid 271007 thread 0 bound to OS proc set {230}
OMP: pid 270926 tid 270926 thread 0 bound to OS proc set {423}
OMP: pid 270977 tid 270977 thread 0 bound to OS proc set {393}
OMP: pid 270955 tid 270955 thread 0 bound to OS proc set {293}
OMP: pid 270983 tid 270983 thread 0 bound to OS proc set {303}
OMP: pid 270991 tid 270991 thread 0 bound to OS proc set {200}
OMP: pid 271000 tid 271000 thread 0 bound to OS proc set {5}
OMP: pid 270932 tid 270932 thread 0 bound to OS proc set {195}
OMP: pid 270992 tid 270992 thread 0 bound to OS proc set {368}
OMP: pid 270951 tid 270951 thread 0 bound to OS proc set {373}
OMP: pid 270911 tid 270911 thread 0 bound to OS proc set {268}
OMP: pid 271006 tid 271006 thread 0 bound to OS proc set {483}
OMP: pid 270957 tid 270957 thread 0 bound to OS proc set {278}
OMP: pid 270968 tid 270968 thread 0 bound to OS proc set {20}
OMP: pid 270967 tid 270967 thread 0 bound to OS proc set {40}
OMP: pid 270997 tid 270997 thread 0 bound to OS proc set {15}
OMP: pid 270934 tid 270934 thread 0 bound to OS proc set {115}
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 = 0.026 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 133.3 | 135.2 | 136.8 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 3.02233 on 96 procs for 10 steps with 32768000 atoms
Performance: 1.429 ns/day, 16.791 hours/ns, 3.309 timesteps/s, 108.420 Matom-step/s
88.5% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.2484 | 2.3223 | 2.423 | 2.6 | 76.84
Neigh | 0.3396 | 0.34429 | 0.3521 | 0.4 | 11.39
Comm | 0.15353 | 0.25303 | 0.3469 | 8.8 | 8.37
Output | 0.0083444 | 0.0095272 | 0.0132 | 1.1 | 0.32
Modify | 0.040519 | 0.055955 | 0.064516 | 2.2 | 1.85
Other | | 0.03725 | | | 1.23
Nlocal: 341333 ave 342574 max 340648 min
Histogram: 45 19 0 0 0 0 0 0 13 19
Nghost: 87167.4 ave 88307 max 85075 min
Histogram: 32 0 0 0 0 0 0 0 1 63
Neighs: 1.28484e+07 ave 1.29035e+07 max 1.28089e+07 min
Histogram: 16 16 18 12 2 0 4 11 2 15
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 133.3 | 135.3 | 137.2 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 182.027 on 96 procs for 500 steps with 32768000 atoms
Performance: 1.187 ns/day, 20.225 hours/ns, 2.747 timesteps/s, 90.009 Matom-step/s
99.0% CPU use with 96 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 138.76 | 141.8 | 143.91 | 14.2 | 77.90
Neigh | 30.685 | 31.123 | 31.51 | 4.1 | 17.10
Comm | 2.3003 | 4.8049 | 7.8922 | 87.4 | 2.64
Output | 0.019043 | 0.024681 | 0.033894 | 2.0 | 0.01
Modify | 2.3364 | 3.2784 | 3.6906 | 17.9 | 1.80
Other | | 0.9943 | | | 0.55
Nlocal: 341333 ave 342795 max 340345 min
Histogram: 13 20 22 9 0 0 3 6 15 8
Nghost: 87081.2 ave 88641 max 84849 min
Histogram: 16 14 2 0 0 0 4 19 28 13
Neighs: 1.28843e+07 ave 1.29514e+07 max 1.28329e+07 min
Histogram: 8 11 18 18 9 2 7 11 6 6
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:03:06
[MAQAO] Info: 15/96 lprof instances finished
[MAQAO] Info: 17/96 lprof instances finished
[MAQAO] Info: 19/96 lprof instances finished
[MAQAO] Info: 20/96 lprof instances finished
[MAQAO] Info: 22/96 lprof instances finished
[MAQAO] Info: 24/96 lprof instances finished
[MAQAO] Info: 29/96 lprof instances finished
[MAQAO] Info: 45/96 lprof instances finished
[MAQAO] Info: 66/96 lprof instances finished
[MAQAO] Info: 73/96 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_1 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 120 Lprof instances in isix03.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 273005 isix03.benchmarkcenter.megware.com {0,1,256,257}
[0] MPI startup(): 1 273020 isix03.benchmarkcenter.megware.com {2,3,258,259}
[0] MPI startup(): 2 273105 isix03.benchmarkcenter.megware.com {4,5,260,261}
[0] MPI startup(): 3 273070 isix03.benchmarkcenter.megware.com {6,7,262,263}
[0] MPI startup(): 4 273015 isix03.benchmarkcenter.megware.com {8,9,264,265}
[0] MPI startup(): 5 273009 isix03.benchmarkcenter.megware.com {10,11,266,267}
[0] MPI startup(): 6 273000 isix03.benchmarkcenter.megware.com {12,13,268,269}
[0] MPI startup(): 7 273086 isix03.benchmarkcenter.megware.com {14,15,270,271}
[0] MPI startup(): 8 273049 isix03.benchmarkcenter.megware.com {16,17,272,273}
[0] MPI startup(): 9 273115 isix03.benchmarkcenter.megware.com {18,19,274,275}
[0] MPI startup(): 10 273037 isix03.benchmarkcenter.megware.com {20,21,276,277}
[0] MPI startup(): 11 273050 isix03.benchmarkcenter.megware.com {22,23,278,279}
[0] MPI startup(): 12 273043 isix03.benchmarkcenter.megware.com {24,25,280,281}
[0] MPI startup(): 13 273116 isix03.benchmarkcenter.megware.com {26,27,282,283}
[0] MPI startup(): 14 273090 isix03.benchmarkcenter.megware.com {28,29,284,285}
[0] MPI startup(): 15 273072 isix03.benchmarkcenter.megware.com {30,31,286,287}
[0] MPI startup(): 16 273092 isix03.benchmarkcenter.megware.com {32,33,288,289}
[0] MPI startup(): 17 273106 isix03.benchmarkcenter.megware.com {34,35,290,291}
[0] MPI startup(): 18 273111 isix03.benchmarkcenter.megware.com {36,37,292,293}
[0] MPI startup(): 19 273104 isix03.benchmarkcenter.megware.com {38,39,294,295}
[0] MPI startup(): 20 273036 isix03.benchmarkcenter.megware.com {40,41,296,297}
[0] MPI startup(): 21 273022 isix03.benchmarkcenter.megware.com {42,43,298,299}
[0] MPI startup(): 22 273034 isix03.benchmarkcenter.megware.com {44,45,300,301}
[0] MPI startup(): 23 273021 isix03.benchmarkcenter.megware.com {46,47,302,303}
[0] MPI startup(): 24 273048 isix03.benchmarkcenter.megware.com {48,49,304,305}
[0] MPI startup(): 25 273003 isix03.benchmarkcenter.megware.com {50,51,306,307}
[0] MPI startup(): 26 273017 isix03.benchmarkcenter.megware.com {52,53,308,309}
[0] MPI startup(): 27 273118 isix03.benchmarkcenter.megware.com {54,55,310,311}
[0] MPI startup(): 28 273097 isix03.benchmarkcenter.megware.com {56,57,312,313}
[0] MPI startup(): 29 273035 isix03.benchmarkcenter.megware.com {58,59,314,315}
[0] MPI startup(): 30 273112 isix03.benchmarkcenter.megware.com {60,61,316,317}
[0] MPI startup(): 31 273047 isix03.benchmarkcenter.megware.com {62,63,318,319}
[0] MPI startup(): 32 273088 isix03.benchmarkcenter.megware.com {64,65,320,321}
[0] MPI startup(): 33 273027 isix03.benchmarkcenter.megware.com {66,67,322,323}
[0] MPI startup(): 34 273094 isix03.benchmarkcenter.megware.com {68,69,324,325}
[0] MPI startup(): 35 273012 isix03.benchmarkcenter.megware.com {70,71,326,327}
[0] MPI startup(): 36 273058 isix03.benchmarkcenter.megware.com {72,73,328,329}
[0] MPI startup(): 37 273080 isix03.benchmarkcenter.megware.com {74,75,330,331}
[0] MPI startup(): 38 273068 isix03.benchmarkcenter.megware.com {76,77,332,333}
[0] MPI startup(): 39 273087 isix03.benchmarkcenter.megware.com {78,79,334,335}
[0] MPI startup(): 40 273051 isix03.benchmarkcenter.megware.com {80,81,336,337}
[0] MPI startup(): 41 273074 isix03.benchmarkcenter.megware.com {82,83,338,339}
[0] MPI startup(): 42 273091 isix03.benchmarkcenter.megware.com {84,85,340,341}
[0] MPI startup(): 43 273110 isix03.benchmarkcenter.megware.com {86,87,342,343}
[0] MPI startup(): 44 273044 isix03.benchmarkcenter.megware.com {88,89,344,345}
[0] MPI startup(): 45 273084 isix03.benchmarkcenter.megware.com {90,91,346,347}
[0] MPI startup(): 46 273078 isix03.benchmarkcenter.megware.com {92,93,348,349}
[0] MPI startup(): 47 273023 isix03.benchmarkcenter.megware.com {94,95,350,351}
[0] MPI startup(): 48 273119 isix03.benchmarkcenter.megware.com {96,97,352,353}
[0] MPI startup(): 49 273121 isix03.benchmarkcenter.megware.com {98,99,354,355}
[0] MPI startup(): 50 273098 isix03.benchmarkcenter.megware.com {100,101,356,357}
[0] MPI startup(): 51 273089 isix03.benchmarkcenter.megware.com {102,103,358,359}
[0] MPI startup(): 52 273013 isix03.benchmarkcenter.megware.com {104,105,360,361}
[0] MPI startup(): 53 273046 isix03.benchmarkcenter.megware.com {106,107,362,363}
[0] MPI startup(): 54 273064 isix03.benchmarkcenter.megware.com {108,109,364,365}
[0] MPI startup(): 55 273053 isix03.benchmarkcenter.megware.com {110,111,366,367}
[0] MPI startup(): 56 273004 isix03.benchmarkcenter.megware.com {112,113,368,369}
[0] MPI startup(): 57 273085 isix03.benchmarkcenter.megware.com {114,115,370,371}
[0] MPI startup(): 58 273040 isix03.benchmarkcenter.megware.com {116,117,372,373}
[0] MPI startup(): 59 273028 isix03.benchmarkcenter.megware.com {118,119,374,375}
[0] MPI startup(): 60 273001 isix03.benchmarkcenter.megware.com {120,121,376,377}
[0] MPI startup(): 61 273083 isix03.benchmarkcenter.megware.com {122,123,378,379}
[0] MPI startup(): 62 273002 isix03.benchmarkcenter.megware.com {124,125,380,381}
[0] MPI startup(): 63 273120 isix03.benchmarkcenter.megware.com {126,127,382,383}
[0] MPI startup(): 64 273065 isix03.benchmarkcenter.megware.com {128,129,384,385}
[0] MPI startup(): 65 273100 isix03.benchmarkcenter.megware.com {130,131,386,387}
[0] MPI startup(): 66 273016 isix03.benchmarkcenter.megware.com {132,133,388,389}
[0] MPI startup(): 67 273008 isix03.benchmarkcenter.megware.com {134,135,390,391}
[0] MPI startup(): 68 273075 isix03.benchmarkcenter.megware.com {136,137,392,393}
[0] MPI startup(): 69 273096 isix03.benchmarkcenter.megware.com {138,139,394,395}
[0] MPI startup(): 70 273076 isix03.benchmarkcenter.megware.com {140,141,396,397}
[0] MPI startup(): 71 273039 isix03.benchmarkcenter.megware.com {142,143,398,399}
[0] MPI startup(): 72 273026 isix03.benchmarkcenter.megware.com {144,145,400,401}
[0] MPI startup(): 73 273117 isix03.benchmarkcenter.megware.com {146,147,402,403}
[0] MPI startup(): 74 273073 isix03.benchmarkcenter.megware.com {148,149,404,405}
[0] MPI startup(): 75 273059 isix03.benchmarkcenter.megware.com {150,151,406,407}
[0] MPI startup(): 76 273095 isix03.benchmarkcenter.megware.com {152,153,408,409}
[0] MPI startup(): 77 273079 isix03.benchmarkcenter.megware.com {154,155,410,411}
[0] MPI startup(): 78 273038 isix03.benchmarkcenter.megware.com {156,157,412,413}
[0] MPI startup(): 79 273114 isix03.benchmarkcenter.megware.com {158,159,414,415}
[0] MPI startup(): 80 273067 isix03.benchmarkcenter.megware.com {160,161,416,417}
[0] MPI startup(): 81 273025 isix03.benchmarkcenter.megware.com {162,163,418,419}
[0] MPI startup(): 82 273060 isix03.benchmarkcenter.megware.com {164,165,420,421}
[0] MPI startup(): 83 273122 isix03.benchmarkcenter.megware.com {166,167,422,423}
[0] MPI startup(): 84 273101 isix03.benchmarkcenter.megware.com {168,169,424,425}
[0] MPI startup(): 85 273014 isix03.benchmarkcenter.megware.com {170,171,426,427}
[0] MPI startup(): 86 273031 isix03.benchmarkcenter.megware.com {172,173,428,429}
[0] MPI startup(): 87 273019 isix03.benchmarkcenter.megware.com {174,175,430,431}
[0] MPI startup(): 88 273061 isix03.benchmarkcenter.megware.com {176,177,432,433}
[0] MPI startup(): 89 273113 isix03.benchmarkcenter.megware.com {178,179,434,435}
[0] MPI startup(): 90 273062 isix03.benchmarkcenter.megware.com {180,181,436,437}
[0] MPI startup(): 91 273102 isix03.benchmarkcenter.megware.com {182,183,438,439}
[0] MPI startup(): 92 273103 isix03.benchmarkcenter.megware.com {184,185,440,441}
[0] MPI startup(): 93 273077 isix03.benchmarkcenter.megware.com {186,187,442,443}
[0] MPI startup(): 94 273109 isix03.benchmarkcenter.megware.com {188,189,444,445}
[0] MPI startup(): 95 273082 isix03.benchmarkcenter.megware.com {190,191,446,447}
[0] MPI startup(): 96 273107 isix03.benchmarkcenter.megware.com {192,193,448,449}
[0] MPI startup(): 97 273099 isix03.benchmarkcenter.megware.com {194,195,450,451}
[0] MPI startup(): 98 273007 isix03.benchmarkcenter.megware.com {196,197,452,453}
[0] MPI startup(): 99 273042 isix03.benchmarkcenter.megware.com {198,199,454,455}
[0] MPI startup(): 100 273054 isix03.benchmarkcenter.megware.com {200,201,456,457}
[0] MPI startup(): 101 273063 isix03.benchmarkcenter.megware.com {202,203,458,459}
[0] MPI startup(): 102 273032 isix03.benchmarkcenter.megware.com {204,205,460,461}
[0] MPI startup(): 103 273108 isix03.benchmarkcenter.megware.com {206,207,462,463}
[0] MPI startup(): 104 273033 isix03.benchmarkcenter.megware.com {208,209,464,465}
[0] MPI startup(): 105 273006 isix03.benchmarkcenter.megware.com {210,211,466,467}
[0] MPI startup(): 106 273055 isix03.benchmarkcenter.megware.com {212,213,468,469}
[0] MPI startup(): 107 273057 isix03.benchmarkcenter.megware.com {214,215,470,471}
[0] MPI startup(): 108 273041 isix03.benchmarkcenter.megware.com {216,217,472,473}
[0] MPI startup(): 109 273069 isix03.benchmarkcenter.megware.com {218,219,474,475}
[0] MPI startup(): 110 273030 isix03.benchmarkcenter.megware.com {220,221,476,477}
[0] MPI startup(): 111 273024 isix03.benchmarkcenter.megware.com {222,223,478,479}
[0] MPI startup(): 112 273066 isix03.benchmarkcenter.megware.com {224,225,480,481}
[0] MPI startup(): 113 273081 isix03.benchmarkcenter.megware.com {226,227,482,483}
[0] MPI startup(): 114 273052 isix03.benchmarkcenter.megware.com {228,229,484,485}
[0] MPI startup(): 115 273010 isix03.benchmarkcenter.megware.com {230,231,486,487}
[0] MPI startup(): 116 273029 isix03.benchmarkcenter.megware.com {232,233,488,489}
[0] MPI startup(): 117 273018 isix03.benchmarkcenter.megware.com {234,235,490,491}
[0] MPI startup(): 118 273045 isix03.benchmarkcenter.megware.com {236,237,492,493}
[0] MPI startup(): 119 273011 isix03.benchmarkcenter.megware.com {238,239,494,495}
OMP: pid 273074 tid 273074 thread 0 bound to OS proc set {82}
OMP: pid 273088 tid 273088 thread 0 bound to OS proc set {64}
OMP: pid 273007 tid 273007 thread 0 bound to OS proc set {196}
OMP: pid 273117 tid 273117 thread 0 bound to OS proc set {146}
OMP: pid 273005 tid 273005 thread 0 bound to OS proc set {0}
OMP: pid 273045 tid 273045 thread 0 bound to OS proc set {236}
OMP: pid 273094 tid 273094 thread 0 bound to OS proc set {68}
OMP: pid 273114 tid 273114 thread 0 bound to OS proc set {158}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 273029 tid 273029 thread 0 bound to OS proc set {232}
OMP: pid 273081 tid 273081 thread 0 bound to OS proc set {226}
OMP: pid 273061 tid 273061 thread 0 bound to OS proc set {176}
OMP: pid 273008 tid 273008 thread 0 bound to OS proc set {134}
OMP: pid 273043 tid 273043 thread 0 bound to OS proc set {24}
OMP: pid 273087 tid 273087 thread 0 bound to OS proc set {78}
OMP: pid 273051 tid 273051 thread 0 bound to OS proc set {80}
OMP: pid 273076 tid 273076 thread 0 bound to OS proc set {140}
OMP: pid 273086 tid 273086 thread 0 bound to OS proc set {14}
OMP: pid 273006 tid 273006 thread 0 bound to OS proc set {210}
OMP: pid 273103 tid 273103 thread 0 bound to OS proc set {184}
OMP: pid 273027 tid 273027 thread 0 bound to OS proc set {66}
OMP: pid 273101 tid 273101 thread 0 bound to OS proc set {168}
OMP: pid 273016 tid 273016 thread 0 bound to OS proc set {132}
OMP: pid 273115 tid 273115 thread 0 bound to OS proc set {18}
OMP: pid 273096 tid 273096 thread 0 bound to OS proc set {138}
OMP: pid 273066 tid 273066 thread 0 bound to OS proc set {224}
OMP: pid 273031 tid 273031 thread 0 bound to OS proc set {172}
OMP: pid 273110 tid 273110 thread 0 bound to OS proc set {86}
OMP: pid 273118 tid 273118 thread 0 bound to OS proc set {54}
OMP: pid 273058 tid 273058 thread 0 bound to OS proc set {72}
OMP: pid 273078 tid 273078 thread 0 bound to OS proc set {92}
OMP: pid 273082 tid 273082 thread 0 bound to OS proc set {190}
OMP: pid 273085 tid 273085 thread 0 bound to OS proc set {114}
OMP: pid 273002 tid 273002 thread 0 bound to OS proc set {124}
OMP: pid 273015 tid 273015 thread 0 bound to OS proc set {8}
OMP: pid 273069 tid 273069 thread 0 bound to OS proc set {218}
OMP: pid 273064 tid 273064 thread 0 bound to OS proc set {108}
OMP: pid 273004 tid 273004 thread 0 bound to OS proc set {112}
OMP: pid 273000 tid 273000 thread 0 bound to OS proc set {12}
OMP: pid 273080 tid 273080 thread 0 bound to OS proc set {74}
OMP: pid 273095 tid 273095 thread 0 bound to OS proc set {152}
OMP: pid 273053 tid 273053 thread 0 bound to OS proc set {110}
OMP: pid 273026 tid 273026 thread 0 bound to OS proc set {144}
OMP: pid 273019 tid 273019 thread 0 bound to OS proc set {174}
OMP: pid 273018 tid 273018 thread 0 bound to OS proc set {234}
OMP: pid 273102 tid 273102 thread 0 bound to OS proc set {182}
OMP: pid 273010 tid 273010 thread 0 bound to OS proc set {230}
OMP: pid 273052 tid 273052 thread 0 bound to OS proc set {228}
OMP: pid 273113 tid 273113 thread 0 bound to OS proc set {178}
OMP: pid 273011 tid 273011 thread 0 bound to OS proc set {238}
OMP: pid 273023 tid 273023 thread 0 bound to OS proc set {94}
OMP: pid 273046 tid 273046 thread 0 bound to OS proc set {106}
OMP: pid 273024 tid 273024 thread 0 bound to OS proc set {222}
OMP: pid 273039 tid 273039 thread 0 bound to OS proc set {142}
OMP: pid 273049 tid 273049 thread 0 bound to OS proc set {16}
OMP: pid 273012 tid 273012 thread 0 bound to OS proc set {70}
OMP: pid 273060 tid 273060 thread 0 bound to OS proc set {164}
OMP: pid 273033 tid 273033 thread 0 bound to OS proc set {208}
OMP: pid 273013 tid 273013 thread 0 bound to OS proc set {104}
OMP: pid 273122 tid 273122 thread 0 bound to OS proc set {166}
OMP: pid 273054 tid 273054 thread 0 bound to OS proc set {200}
OMP: pid 273034 tid 273034 thread 0 bound to OS proc set {44}
OMP: pid 273038 tid 273038 thread 0 bound to OS proc set {156}
OMP: pid 273111 tid 273111 thread 0 bound to OS proc set {36}
OMP: pid 273084 tid 273084 thread 0 bound to OS proc set {90}
OMP: pid 273108 tid 273108 thread 0 bound to OS proc set {206}
OMP: pid 273021 tid 273021 thread 0 bound to OS proc set {46}
OMP: pid 273044 tid 273044 thread 0 bound to OS proc set {88}
OMP: pid 273121 tid 273121 thread 0 bound to OS proc set {98}
OMP: pid 273091 tid 273091 thread 0 bound to OS proc set {84}
OMP: pid 273073 tid 273073 thread 0 bound to OS proc set {148}
OMP: pid 273090 tid 273090 thread 0 bound to OS proc set {28}
OMP: pid 273062 tid 273062 thread 0 bound to OS proc set {180}
OMP: pid 273107 tid 273107 thread 0 bound to OS proc set {192}
OMP: pid 273014 tid 273014 thread 0 bound to OS proc set {170}
OMP: pid 273037 tid 273037 thread 0 bound to OS proc set {20}
OMP: pid 273001 tid 273001 thread 0 bound to OS proc set {120}
OMP: pid 273009 tid 273009 thread 0 bound to OS proc set {10}
OMP: pid 273032 tid 273032 thread 0 bound to OS proc set {204}
OMP: pid 273042 tid 273042 thread 0 bound to OS proc set {198}
OMP: pid 273068 tid 273068 thread 0 bound to OS proc set {76}
OMP: pid 273035 tid 273035 thread 0 bound to OS proc set {58}
OMP: pid 273070 tid 273070 thread 0 bound to OS proc set {6}
OMP: pid 273098 tid 273098 thread 0 bound to OS proc set {100}
OMP: pid 273109 tid 273109 thread 0 bound to OS proc set {188}
OMP: pid 273028 tid 273028 thread 0 bound to OS proc set {118}
OMP: pid 273105 tid 273105 thread 0 bound to OS proc set {4}
OMP: pid 273065 tid 273065 thread 0 bound to OS proc set {128}
OMP: pid 273099 tid 273099 thread 0 bound to OS proc set {194}
OMP: pid 273022 tid 273022 thread 0 bound to OS proc set {42}
OMP: pid 273097 tid 273097 thread 0 bound to OS proc set {56}
OMP: pid 273041 tid 273041 thread 0 bound to OS proc set {216}
OMP: pid 273059 tid 273059 thread 0 bound to OS proc set {150}
OMP: pid 273079 tid 273079 thread 0 bound to OS proc set {154}
OMP: pid 273025 tid 273025 thread 0 bound to OS proc set {162}
OMP: pid 273048 tid 273048 thread 0 bound to OS proc set {48}
OMP: pid 273040 tid 273040 thread 0 bound to OS proc set {116}
OMP: pid 273116 tid 273116 thread 0 bound to OS proc set {26}
OMP: pid 273100 tid 273100 thread 0 bound to OS proc set {130}
OMP: pid 273077 tid 273077 thread 0 bound to OS proc set {186}
OMP: pid 273003 tid 273003 thread 0 bound to OS proc set {50}
OMP: pid 273067 tid 273067 thread 0 bound to OS proc set {160}
OMP: pid 273120 tid 273120 thread 0 bound to OS proc set {126}
OMP: pid 273075 tid 273075 thread 0 bound to OS proc set {136}
OMP: pid 273104 tid 273104 thread 0 bound to OS proc set {38}
OMP: pid 273020 tid 273020 thread 0 bound to OS proc set {2}
OMP: pid 273030 tid 273030 thread 0 bound to OS proc set {220}
OMP: pid 273063 tid 273063 thread 0 bound to OS proc set {202}
OMP: pid 273072 tid 273072 thread 0 bound to OS proc set {30}
OMP: pid 273092 tid 273092 thread 0 bound to OS proc set {32}
OMP: pid 273112 tid 273112 thread 0 bound to OS proc set {60}
OMP: pid 273050 tid 273050 thread 0 bound to OS proc set {22}
OMP: pid 273106 tid 273106 thread 0 bound to OS proc set {34}
OMP: pid 273055 tid 273055 thread 0 bound to OS proc set {212}
OMP: pid 273083 tid 273083 thread 0 bound to OS proc set {122}
OMP: pid 273057 tid 273057 thread 0 bound to OS proc set {214}
OMP: pid 273047 tid 273047 thread 0 bound to OS proc set {62}
OMP: pid 273017 tid 273017 thread 0 bound to OS proc set {52}
OMP: pid 273089 tid 273089 thread 0 bound to OS proc set {102}
OMP: pid 273119 tid 273119 thread 0 bound to OS proc set {96}
OMP: pid 273036 tid 273036 thread 0 bound to OS proc set {40}
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 = 0.024 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 107.9 | 109.6 | 111.4 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 2.86865 on 120 procs for 10 steps with 32768000 atoms
Performance: 1.506 ns/day, 15.937 hours/ns, 3.486 timesteps/s, 114.228 Matom-step/s
80.0% CPU use with 120 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.0657 | 2.2006 | 2.3315 | 3.9 | 76.71
Neigh | 0.27377 | 0.28016 | 0.28814 | 0.8 | 9.77
Comm | 0.14282 | 0.2754 | 0.42403 | 11.7 | 9.60
Output | 0.011692 | 0.01273 | 0.016771 | 0.8 | 0.44
Modify | 0.039552 | 0.055417 | 0.071537 | 2.5 | 1.93
Other | | 0.04439 | | | 1.55
Nlocal: 273067 ave 274057 max 272483 min
Histogram: 39 41 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 1.03385e+07 max 1.02326e+07 min
Histogram: 16 6 24 16 11 15 7 12 5 8
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 108.2 | 109.7 | 111.4 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 148.848 on 120 procs for 500 steps with 32768000 atoms
Performance: 1.451 ns/day, 16.539 hours/ns, 3.359 timesteps/s, 110.072 Matom-step/s
98.9% CPU use with 120 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 112.03 | 114.73 | 117.14 | 13.5 | 77.08
Neigh | 24.455 | 25.026 | 25.745 | 7.4 | 16.81
Comm | 1.9048 | 5.256 | 8.5221 | 78.6 | 3.53
Output | 0.018546 | 0.022881 | 0.031741 | 1.9 | 0.02
Modify | 1.8726 | 2.7641 | 3.259 | 22.0 | 1.86
Other | | 1.045 | | | 0.70
Nlocal: 273067 ave 274301 max 272233 min
Histogram: 15 28 23 11 3 2 4 8 17 9
Nghost: 76557.4 ave 77914 max 74700 min
Histogram: 21 14 5 0 0 1 10 26 30 13
Neighs: 1.03075e+07 ave 1.03725e+07 max 1.02484e+07 min
Histogram: 2 12 20 18 14 20 9 13 6 6
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:33
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_2 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 126 Lprof instances in isix03.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 275760 isix03.benchmarkcenter.megware.com {0,1,256,257}
[0] MPI startup(): 1 275821 isix03.benchmarkcenter.megware.com {2,3,258,259}
[0] MPI startup(): 2 275817 isix03.benchmarkcenter.megware.com {4,5,260,261}
[0] MPI startup(): 3 275824 isix03.benchmarkcenter.megware.com {6,7,262,263}
[0] MPI startup(): 4 275770 isix03.benchmarkcenter.megware.com {8,9,264,265}
[0] MPI startup(): 5 275789 isix03.benchmarkcenter.megware.com {10,11,266,267}
[0] MPI startup(): 6 275757 isix03.benchmarkcenter.megware.com {12,13,268,269}
[0] MPI startup(): 7 275749 isix03.benchmarkcenter.megware.com {14,15,270,271}
[0] MPI startup(): 8 275811 isix03.benchmarkcenter.megware.com {16,17,272,273}
[0] MPI startup(): 9 275810 isix03.benchmarkcenter.megware.com {18,19,274,275}
[0] MPI startup(): 10 275731 isix03.benchmarkcenter.megware.com {20,21,276,277}
[0] MPI startup(): 11 275740 isix03.benchmarkcenter.megware.com {22,23,278,279}
[0] MPI startup(): 12 275818 isix03.benchmarkcenter.megware.com {24,25,280,281}
[0] MPI startup(): 13 275783 isix03.benchmarkcenter.megware.com {26,27,282,283}
[0] MPI startup(): 14 275762 isix03.benchmarkcenter.megware.com {28,29,284,285}
[0] MPI startup(): 15 275775 isix03.benchmarkcenter.megware.com {30,31,286,287}
[0] MPI startup(): 16 275756 isix03.benchmarkcenter.megware.com {32,33,288,289}
[0] MPI startup(): 17 275782 isix03.benchmarkcenter.megware.com {34,35,290,291}
[0] MPI startup(): 18 275735 isix03.benchmarkcenter.megware.com {36,37,292,293}
[0] MPI startup(): 19 275788 isix03.benchmarkcenter.megware.com {38,39,294,295}
[0] MPI startup(): 20 275750 isix03.benchmarkcenter.megware.com {40,41,296,297}
[0] MPI startup(): 21 275765 isix03.benchmarkcenter.megware.com {42,43,298,299}
[0] MPI startup(): 22 275751 isix03.benchmarkcenter.megware.com {44,45,300,301}
[0] MPI startup(): 23 275796 isix03.benchmarkcenter.megware.com {46,47,302,303}
[0] MPI startup(): 24 275793 isix03.benchmarkcenter.megware.com {48,49,304,305}
[0] MPI startup(): 25 275844 isix03.benchmarkcenter.megware.com {50,51,306,307}
[0] MPI startup(): 26 275779 isix03.benchmarkcenter.megware.com {52,53,308,309}
[0] MPI startup(): 27 275801 isix03.benchmarkcenter.megware.com {54,55,310,311}
[0] MPI startup(): 28 275835 isix03.benchmarkcenter.megware.com {56,57,312,313}
[0] MPI startup(): 29 275845 isix03.benchmarkcenter.megware.com {58,59,314,315}
[0] MPI startup(): 30 275842 isix03.benchmarkcenter.megware.com {60,61,316,317}
[0] MPI startup(): 31 275840 isix03.benchmarkcenter.megware.com {62,63,318,319}
[0] MPI startup(): 32 275773 isix03.benchmarkcenter.megware.com {64,65,320,321}
[0] MPI startup(): 33 275774 isix03.benchmarkcenter.megware.com {66,67,322,323}
[0] MPI startup(): 34 275744 isix03.benchmarkcenter.megware.com {68,69,324,325}
[0] MPI startup(): 35 275814 isix03.benchmarkcenter.megware.com {70,71,326,327}
[0] MPI startup(): 36 275771 isix03.benchmarkcenter.megware.com {72,73,328,329}
[0] MPI startup(): 37 275851 isix03.benchmarkcenter.megware.com {74,75,330,331}
[0] MPI startup(): 38 275819 isix03.benchmarkcenter.megware.com {76,77,332,333}
[0] MPI startup(): 39 275852 isix03.benchmarkcenter.megware.com {78,79,334,335}
[0] MPI startup(): 40 275764 isix03.benchmarkcenter.megware.com {80,81,336,337}
[0] MPI startup(): 41 275807 isix03.benchmarkcenter.megware.com {82,83,338,339}
[0] MPI startup(): 42 275838 isix03.benchmarkcenter.megware.com {84,85,340,341}
[0] MPI startup(): 43 275828 isix03.benchmarkcenter.megware.com {86,87,342,343}
[0] MPI startup(): 44 275763 isix03.benchmarkcenter.megware.com {88,89,344,345}
[0] MPI startup(): 45 275802 isix03.benchmarkcenter.megware.com {90,91,346,347}
[0] MPI startup(): 46 275841 isix03.benchmarkcenter.megware.com {92,93,348,349}
[0] MPI startup(): 47 275858 isix03.benchmarkcenter.megware.com {94,95,350,351}
[0] MPI startup(): 48 275778 isix03.benchmarkcenter.megware.com {96,97,352,353}
[0] MPI startup(): 49 275784 isix03.benchmarkcenter.megware.com {98,99,354,355}
[0] MPI startup(): 50 275806 isix03.benchmarkcenter.megware.com {100,101,356,357}
[0] MPI startup(): 51 275772 isix03.benchmarkcenter.megware.com {102,103,358,359}
[0] MPI startup(): 52 275831 isix03.benchmarkcenter.megware.com {104,105,360,361}
[0] MPI startup(): 53 275815 isix03.benchmarkcenter.megware.com {106,107,362,363}
[0] MPI startup(): 54 275730 isix03.benchmarkcenter.megware.com {108,109,364,365}
[0] MPI startup(): 55 275839 isix03.benchmarkcenter.megware.com {110,111,366,367}
[0] MPI startup(): 56 275846 isix03.benchmarkcenter.megware.com {112,113,368,369}
[0] MPI startup(): 57 275850 isix03.benchmarkcenter.megware.com {114,115,370,371}
[0] MPI startup(): 58 275812 isix03.benchmarkcenter.megware.com {116,117,372,373}
[0] MPI startup(): 59 275854 isix03.benchmarkcenter.megware.com {118,119,374,375}
[0] MPI startup(): 60 275800 isix03.benchmarkcenter.megware.com {120,121,376,377}
[0] MPI startup(): 61 275849 isix03.benchmarkcenter.megware.com {122,123,378,379}
[0] MPI startup(): 62 275795 isix03.benchmarkcenter.megware.com {124,125,380,381}
[0] MPI startup(): 63 275743 isix03.benchmarkcenter.megware.com {126,127,382,383}
[0] MPI startup(): 64 275748 isix03.benchmarkcenter.megware.com {128,129,384,385}
[0] MPI startup(): 65 275836 isix03.benchmarkcenter.megware.com {130,131,386,387}
[0] MPI startup(): 66 275792 isix03.benchmarkcenter.megware.com {132,133,388,389}
[0] MPI startup(): 67 275741 isix03.benchmarkcenter.megware.com {134,135,390,391}
[0] MPI startup(): 68 275754 isix03.benchmarkcenter.megware.com {136,137,392,393}
[0] MPI startup(): 69 275823 isix03.benchmarkcenter.megware.com {138,139,394,395}
[0] MPI startup(): 70 275794 isix03.benchmarkcenter.megware.com {140,141,396,397}
[0] MPI startup(): 71 275813 isix03.benchmarkcenter.megware.com {142,143,398,399}
[0] MPI startup(): 72 275758 isix03.benchmarkcenter.megware.com {144,145,400,401}
[0] MPI startup(): 73 275777 isix03.benchmarkcenter.megware.com {146,147,402,403}
[0] MPI startup(): 74 275816 isix03.benchmarkcenter.megware.com {148,149,404,405}
[0] MPI startup(): 75 275761 isix03.benchmarkcenter.megware.com {150,151,406,407}
[0] MPI startup(): 76 275780 isix03.benchmarkcenter.megware.com {152,153,408,409}
[0] MPI startup(): 77 275809 isix03.benchmarkcenter.megware.com {154,155,410,411}
[0] MPI startup(): 78 275843 isix03.benchmarkcenter.megware.com {156,157,412,413}
[0] MPI startup(): 79 275736 isix03.benchmarkcenter.megware.com {158,159,414,415}
[0] MPI startup(): 80 275755 isix03.benchmarkcenter.megware.com {160,161,416,417}
[0] MPI startup(): 81 275848 isix03.benchmarkcenter.megware.com {162,163,418,419}
[0] MPI startup(): 82 275825 isix03.benchmarkcenter.megware.com {164,165,420,421}
[0] MPI startup(): 83 275732 isix03.benchmarkcenter.megware.com {166,167,422,423}
[0] MPI startup(): 84 275745 isix03.benchmarkcenter.megware.com {168,169,424,425}
[0] MPI startup(): 85 275738 isix03.benchmarkcenter.megware.com {170,171,426,427}
[0] MPI startup(): 86 275785 isix03.benchmarkcenter.megware.com {172,173,428,429}
[0] MPI startup(): 87 275855 isix03.benchmarkcenter.megware.com {174,175,430,431}
[0] MPI startup(): 88 275856 isix03.benchmarkcenter.megware.com {176,177,432,433}
[0] MPI startup(): 89 275847 isix03.benchmarkcenter.megware.com {178,179,434,435}
[0] MPI startup(): 90 275753 isix03.benchmarkcenter.megware.com {180,181,436,437}
[0] MPI startup(): 91 275833 isix03.benchmarkcenter.megware.com {182,183,438,439}
[0] MPI startup(): 92 275766 isix03.benchmarkcenter.megware.com {184,185,440,441}
[0] MPI startup(): 93 275781 isix03.benchmarkcenter.megware.com {186,187,442,443}
[0] MPI startup(): 94 275837 isix03.benchmarkcenter.megware.com {188,189,444,445}
[0] MPI startup(): 95 275769 isix03.benchmarkcenter.megware.com {190,191,446,447}
[0] MPI startup(): 96 275737 isix03.benchmarkcenter.megware.com {192,193,448,449}
[0] MPI startup(): 97 275752 isix03.benchmarkcenter.megware.com {194,195,450,451}
[0] MPI startup(): 98 275808 isix03.benchmarkcenter.megware.com {196,197,452,453}
[0] MPI startup(): 99 275853 isix03.benchmarkcenter.megware.com {198,199,454,455}
[0] MPI startup(): 100 275734 isix03.benchmarkcenter.megware.com {200,201,456,457}
[0] MPI startup(): 101 275742 isix03.benchmarkcenter.megware.com {202,203,458,459}
[0] MPI startup(): 102 275830 isix03.benchmarkcenter.megware.com {204,205,460,461}
[0] MPI startup(): 103 275826 isix03.benchmarkcenter.megware.com {206,207,462,463}
[0] MPI startup(): 104 275829 isix03.benchmarkcenter.megware.com {208,209,464,465}
[0] MPI startup(): 105 275832 isix03.benchmarkcenter.megware.com {210,211,466,467}
[0] MPI startup(): 106 275834 isix03.benchmarkcenter.megware.com {212,213,468,469}
[0] MPI startup(): 107 275776 isix03.benchmarkcenter.megware.com {214,215,470,471}
[0] MPI startup(): 108 275739 isix03.benchmarkcenter.megware.com {216,217,472,473}
[0] MPI startup(): 109 275787 isix03.benchmarkcenter.megware.com {218,219,474,475}
[0] MPI startup(): 110 275767 isix03.benchmarkcenter.megware.com {220,221,476,477}
[0] MPI startup(): 111 275827 isix03.benchmarkcenter.megware.com {222,223,478,479}
[0] MPI startup(): 112 275746 isix03.benchmarkcenter.megware.com {224,225,480,481}
[0] MPI startup(): 113 275733 isix03.benchmarkcenter.megware.com {226,227,482,483}
[0] MPI startup(): 114 275759 isix03.benchmarkcenter.megware.com {228,229,484,485}
[0] MPI startup(): 115 275799 isix03.benchmarkcenter.megware.com {230,231,486,487}
[0] MPI startup(): 116 275786 isix03.benchmarkcenter.megware.com {232,233,488,489}
[0] MPI startup(): 117 275804 isix03.benchmarkcenter.megware.com {234,235,490,491}
[0] MPI startup(): 118 275747 isix03.benchmarkcenter.megware.com {236,237,492,493}
[0] MPI startup(): 119 275805 isix03.benchmarkcenter.megware.com {238,239,494,495}
[0] MPI startup(): 120 275768 isix03.benchmarkcenter.megware.com {240,241,496,497}
[0] MPI startup(): 121 275803 isix03.benchmarkcenter.megware.com {242,243,498,499}
[0] MPI startup(): 122 275790 isix03.benchmarkcenter.megware.com {244,245,500,501}
[0] MPI startup(): 123 275791 isix03.benchmarkcenter.megware.com {246,247,502,503}
[0] MPI startup(): 124 275798 isix03.benchmarkcenter.megware.com {248,249,504,505}
[0] MPI startup(): 125 275820 isix03.benchmarkcenter.megware.com {250,251,506,507}
OMP: pid 275748 tid 275748 thread 0 bound to OS proc set {128}
OMP: pid 275747 tid 275747 thread 0 bound to OS proc set {236}
OMP: pid 275760 tid 275760 thread 0 bound to OS proc set {0}
OMP: pid 275737 tid 275737 thread 0 bound to OS proc set {192}
OMP: pid 275781 tid 275781 thread 0 bound to OS proc set {186}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 275750 tid 275750 thread 0 bound to OS proc set {40}
OMP: pid 275763 tid 275763 thread 0 bound to OS proc set {88}
OMP: pid 275850 tid 275850 thread 0 bound to OS proc set {114}
OMP: pid 275793 tid 275793 thread 0 bound to OS proc set {48}
OMP: pid 275795 tid 275795 thread 0 bound to OS proc set {124}
OMP: pid 275814 tid 275814 thread 0 bound to OS proc set {70}
OMP: pid 275841 tid 275841 thread 0 bound to OS proc set {92}
OMP: pid 275852 tid 275852 thread 0 bound to OS proc set {78}
OMP: pid 275786 tid 275786 thread 0 bound to OS proc set {232}
OMP: pid 275759 tid 275759 thread 0 bound to OS proc set {228}
OMP: pid 275807 tid 275807 thread 0 bound to OS proc set {82}
OMP: pid 275754 tid 275754 thread 0 bound to OS proc set {136}
OMP: pid 275731 tid 275731 thread 0 bound to OS proc set {20}
OMP: pid 275817 tid 275817 thread 0 bound to OS proc set {4}
OMP: pid 275833 tid 275833 thread 0 bound to OS proc set {182}
OMP: pid 275843 tid 275843 thread 0 bound to OS proc set {156}
OMP: pid 275773 tid 275773 thread 0 bound to OS proc set {64}
OMP: pid 275830 tid 275830 thread 0 bound to OS proc set {204}
OMP: pid 275788 tid 275788 thread 0 bound to OS proc set {38}
OMP: pid 275796 tid 275796 thread 0 bound to OS proc set {46}
OMP: pid 275769 tid 275769 thread 0 bound to OS proc set {190}
OMP: pid 275849 tid 275849 thread 0 bound to OS proc set {122}
OMP: pid 275837 tid 275837 thread 0 bound to OS proc set {188}
OMP: pid 275779 tid 275779 thread 0 bound to OS proc set {52}
OMP: pid 275756 tid 275756 thread 0 bound to OS proc set {32}
OMP: pid 275821 tid 275821 thread 0 bound to OS proc set {2}
OMP: pid 275828 tid 275828 thread 0 bound to OS proc set {86}
OMP: pid 275740 tid 275740 thread 0 bound to OS proc set {22}
OMP: pid 275753 tid 275753 thread 0 bound to OS proc set {180}
OMP: pid 275752 tid 275752 thread 0 bound to OS proc set {194}
OMP: pid 275824 tid 275824 thread 0 bound to OS proc set {6}
OMP: pid 275764 tid 275764 thread 0 bound to OS proc set {80}
OMP: pid 275840 tid 275840 thread 0 bound to OS proc set {62}
OMP: pid 275770 tid 275770 thread 0 bound to OS proc set {8}
OMP: pid 275775 tid 275775 thread 0 bound to OS proc set {30}
OMP: pid 275767 tid 275767 thread 0 bound to OS proc set {220}
OMP: pid 275743 tid 275743 thread 0 bound to OS proc set {126}
OMP: pid 275742 tid 275742 thread 0 bound to OS proc set {202}
OMP: pid 275823 tid 275823 thread 0 bound to OS proc set {138}
OMP: pid 275745 tid 275745 thread 0 bound to OS proc set {168}
OMP: pid 275844 tid 275844 thread 0 bound to OS proc set {50}
OMP: pid 275772 tid 275772 thread 0 bound to OS proc set {102}
OMP: pid 275813 tid 275813 thread 0 bound to OS proc set {142}
OMP: pid 275762 tid 275762 thread 0 bound to OS proc set {28}
OMP: pid 275801 tid 275801 thread 0 bound to OS proc set {54}
OMP: pid 275778 tid 275778 thread 0 bound to OS proc set {96}
OMP: pid 275784 tid 275784 thread 0 bound to OS proc set {98}
OMP: pid 275809 tid 275809 thread 0 bound to OS proc set {154}
OMP: pid 275838 tid 275838 thread 0 bound to OS proc set {84}
OMP: pid 275820 tid 275820 thread 0 bound to OS proc set {250}
OMP: pid 275771 tid 275771 thread 0 bound to OS proc set {72}
OMP: pid 275736 tid 275736 thread 0 bound to OS proc set {158}
OMP: pid 275774 tid 275774 thread 0 bound to OS proc set {66}
OMP: pid 275819 tid 275819 thread 0 bound to OS proc set {76}
OMP: pid 275803 tid 275803 thread 0 bound to OS proc set {242}
OMP: pid 275749 tid 275749 thread 0 bound to OS proc set {14}
OMP: pid 275816 tid 275816 thread 0 bound to OS proc set {148}
OMP: pid 275812 tid 275812 thread 0 bound to OS proc set {116}
OMP: pid 275827 tid 275827 thread 0 bound to OS proc set {222}
OMP: pid 275847 tid 275847 thread 0 bound to OS proc set {178}
OMP: pid 275782 tid 275782 thread 0 bound to OS proc set {34}
OMP: pid 275783 tid 275783 thread 0 bound to OS proc set {26}
OMP: pid 275765 tid 275765 thread 0 bound to OS proc set {42}
OMP: pid 275733 tid 275733 thread 0 bound to OS proc set {226}
OMP: pid 275853 tid 275853 thread 0 bound to OS proc set {198}
OMP: pid 275768 tid 275768 thread 0 bound to OS proc set {240}
OMP: pid 275806 tid 275806 thread 0 bound to OS proc set {100}
OMP: pid 275836 tid 275836 thread 0 bound to OS proc set {130}
OMP: pid 275746 tid 275746 thread 0 bound to OS proc set {224}
OMP: pid 275766 tid 275766 thread 0 bound to OS proc set {184}
OMP: pid 275735 tid 275735 thread 0 bound to OS proc set {36}
OMP: pid 275810 tid 275810 thread 0 bound to OS proc set {18}
OMP: pid 275789 tid 275789 thread 0 bound to OS proc set {10}
OMP: pid 275777 tid 275777 thread 0 bound to OS proc set {146}
OMP: pid 275755 tid 275755 thread 0 bound to OS proc set {160}
OMP: pid 275804 tid 275804 thread 0 bound to OS proc set {234}
OMP: pid 275799 tid 275799 thread 0 bound to OS proc set {230}
OMP: pid 275757 tid 275757 thread 0 bound to OS proc set {12}
OMP: pid 275846 tid 275846 thread 0 bound to OS proc set {112}
OMP: pid 275761 tid 275761 thread 0 bound to OS proc set {150}
OMP: pid 275792 tid 275792 thread 0 bound to OS proc set {132}
OMP: pid 275826 tid 275826 thread 0 bound to OS proc set {206}
OMP: pid 275739 tid 275739 thread 0 bound to OS proc set {216}
OMP: pid 275835 tid 275835 thread 0 bound to OS proc set {56}
OMP: pid 275741 tid 275741 thread 0 bound to OS proc set {134}
OMP: pid 275738 tid 275738 thread 0 bound to OS proc set {170}
OMP: pid 275842 tid 275842 thread 0 bound to OS proc set {60}
OMP: pid 275758 tid 275758 thread 0 bound to OS proc set {144}
OMP: pid 275785 tid 275785 thread 0 bound to OS proc set {172}
OMP: pid 275776 tid 275776 thread 0 bound to OS proc set {214}
OMP: pid 275831 tid 275831 thread 0 bound to OS proc set {104}
OMP: pid 275734 tid 275734 thread 0 bound to OS proc set {200}
OMP: pid 275855 tid 275855 thread 0 bound to OS proc set {174}
OMP: pid 275744 tid 275744 thread 0 bound to OS proc set {68}
OMP: pid 275829 tid 275829 thread 0 bound to OS proc set {208}
OMP: pid 275794 tid 275794 thread 0 bound to OS proc set {140}
OMP: pid 275730 tid 275730 thread 0 bound to OS proc set {108}
OMP: pid 275825 tid 275825 thread 0 bound to OS proc set {164}
OMP: pid 275856 tid 275856 thread 0 bound to OS proc set {176}
OMP: pid 275791 tid 275791 thread 0 bound to OS proc set {246}
OMP: pid 275848 tid 275848 thread 0 bound to OS proc set {162}
OMP: pid 275805 tid 275805 thread 0 bound to OS proc set {238}
OMP: pid 275851 tid 275851 thread 0 bound to OS proc set {74}
OMP: pid 275845 tid 275845 thread 0 bound to OS proc set {58}
OMP: pid 275808 tid 275808 thread 0 bound to OS proc set {196}
OMP: pid 275839 tid 275839 thread 0 bound to OS proc set {110}
OMP: pid 275800 tid 275800 thread 0 bound to OS proc set {120}
OMP: pid 275787 tid 275787 thread 0 bound to OS proc set {218}
OMP: pid 275751 tid 275751 thread 0 bound to OS proc set {44}
OMP: pid 275854 tid 275854 thread 0 bound to OS proc set {118}
OMP: pid 275834 tid 275834 thread 0 bound to OS proc set {212}
OMP: pid 275790 tid 275790 thread 0 bound to OS proc set {244}
OMP: pid 275802 tid 275802 thread 0 bound to OS proc set {90}
OMP: pid 275815 tid 275815 thread 0 bound to OS proc set {106}
OMP: pid 275780 tid 275780 thread 0 bound to OS proc set {152}
OMP: pid 275732 tid 275732 thread 0 bound to OS proc set {166}
OMP: pid 275832 tid 275832 thread 0 bound to OS proc set {210}
OMP: pid 275818 tid 275818 thread 0 bound to OS proc set {24}
OMP: pid 275858 tid 275858 thread 0 bound to OS proc set {94}
OMP: pid 275811 tid 275811 thread 0 bound to OS proc set {16}
OMP: pid 275798 tid 275798 thread 0 bound to OS proc set {248}
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
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 101 | 104 | 105.9 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 2.6562 on 126 procs for 10 steps with 32768000 atoms
Performance: 1.626 ns/day, 14.757 hours/ns, 3.765 timesteps/s, 123.364 Matom-step/s
79.9% CPU use with 126 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.8932 | 2.0254 | 2.1405 | 4.6 | 76.25
Neigh | 0.25277 | 0.26304 | 0.27407 | 1.0 | 9.90
Comm | 0.13119 | 0.2485 | 0.39087 | 13.2 | 9.36
Output | 0.011863 | 0.012811 | 0.014239 | 0.4 | 0.48
Modify | 0.056384 | 0.066358 | 0.080107 | 1.9 | 2.50
Other | | 0.0401 | | | 1.51
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 9.95569e+06 max 9.65796e+06 min
Histogram: 12 16 10 20 12 22 13 5 12 4
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 103.9 | 105 | 105.9 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 137.576 on 126 procs for 500 steps with 32768000 atoms
Performance: 1.570 ns/day, 15.286 hours/ns, 3.634 timesteps/s, 119.090 Matom-step/s
99.0% CPU use with 126 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 100.1 | 104.71 | 107.78 | 18.5 | 76.11
Neigh | 22.201 | 23.234 | 24.315 | 10.8 | 16.89
Comm | 1.8168 | 5.8182 | 11.672 | 100.4 | 4.23
Output | 0.018491 | 0.023777 | 0.034007 | 2.1 | 0.02
Modify | 2.0968 | 2.6816 | 3.0791 | 14.7 | 1.95
Other | | 1.104 | | | 0.80
Nlocal: 260063 ave 263500 max 256427 min
Histogram: 11 1 14 8 28 15 17 16 8 8
Nghost: 72053.5 ave 75200 max 68718 min
Histogram: 12 1 7 18 26 17 9 18 17 1
Neighs: 9.81664e+06 ave 9.98149e+06 max 9.67216e+06 min
Histogram: 7 7 22 14 18 23 12 8 11 4
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:21
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_3 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 144 Lprof instances in isix03.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 278507 isix03.benchmarkcenter.megware.com {0,1,256}
[0] MPI startup(): 1 278575 isix03.benchmarkcenter.megware.com {2,257,258}
[0] MPI startup(): 2 278472 isix03.benchmarkcenter.megware.com {3,4,259}
[0] MPI startup(): 3 278581 isix03.benchmarkcenter.megware.com {5,260,261}
[0] MPI startup(): 4 278614 isix03.benchmarkcenter.megware.com {6,7,262}
[0] MPI startup(): 5 278559 isix03.benchmarkcenter.megware.com {8,263,264}
[0] MPI startup(): 6 278476 isix03.benchmarkcenter.megware.com {9,10,265}
[0] MPI startup(): 7 278602 isix03.benchmarkcenter.megware.com {11,266,267}
[0] MPI startup(): 8 278554 isix03.benchmarkcenter.megware.com {12,13,268}
[0] MPI startup(): 9 278503 isix03.benchmarkcenter.megware.com {14,269,270}
[0] MPI startup(): 10 278529 isix03.benchmarkcenter.megware.com {15,16,271}
[0] MPI startup(): 11 278580 isix03.benchmarkcenter.megware.com {17,272,273}
[0] MPI startup(): 12 278506 isix03.benchmarkcenter.megware.com {18,19,274}
[0] MPI startup(): 13 278508 isix03.benchmarkcenter.megware.com {20,275,276}
[0] MPI startup(): 14 278493 isix03.benchmarkcenter.megware.com {21,22,277}
[0] MPI startup(): 15 278542 isix03.benchmarkcenter.megware.com {23,278,279}
[0] MPI startup(): 16 278561 isix03.benchmarkcenter.megware.com {24,25,280}
[0] MPI startup(): 17 278555 isix03.benchmarkcenter.megware.com {26,281,282}
[0] MPI startup(): 18 278527 isix03.benchmarkcenter.megware.com {27,28,283}
[0] MPI startup(): 19 278615 isix03.benchmarkcenter.megware.com {29,284,285}
[0] MPI startup(): 20 278608 isix03.benchmarkcenter.megware.com {30,31,286}
[0] MPI startup(): 21 278586 isix03.benchmarkcenter.megware.com {32,287,288}
[0] MPI startup(): 22 278579 isix03.benchmarkcenter.megware.com {33,34,289}
[0] MPI startup(): 23 278600 isix03.benchmarkcenter.megware.com {35,290,291}
[0] MPI startup(): 24 278500 isix03.benchmarkcenter.megware.com {36,37,292}
[0] MPI startup(): 25 278524 isix03.benchmarkcenter.megware.com {38,293,294}
[0] MPI startup(): 26 278588 isix03.benchmarkcenter.megware.com {39,40,295}
[0] MPI startup(): 27 278515 isix03.benchmarkcenter.megware.com {41,296,297}
[0] MPI startup(): 28 278574 isix03.benchmarkcenter.megware.com {42,43,298}
[0] MPI startup(): 29 278597 isix03.benchmarkcenter.megware.com {44,299,300}
[0] MPI startup(): 30 278499 isix03.benchmarkcenter.megware.com {45,46,301}
[0] MPI startup(): 31 278590 isix03.benchmarkcenter.megware.com {47,302,303}
[0] MPI startup(): 32 278504 isix03.benchmarkcenter.megware.com {48,49,304}
[0] MPI startup(): 33 278578 isix03.benchmarkcenter.megware.com {50,305,306}
[0] MPI startup(): 34 278523 isix03.benchmarkcenter.megware.com {51,52,307}
[0] MPI startup(): 35 278533 isix03.benchmarkcenter.megware.com {53,308,309}
[0] MPI startup(): 36 278611 isix03.benchmarkcenter.megware.com {54,55,310}
[0] MPI startup(): 37 278568 isix03.benchmarkcenter.megware.com {56,311,312}
[0] MPI startup(): 38 278492 isix03.benchmarkcenter.megware.com {57,58,313}
[0] MPI startup(): 39 278589 isix03.benchmarkcenter.megware.com {59,314,315}
[0] MPI startup(): 40 278502 isix03.benchmarkcenter.megware.com {60,61,316}
[0] MPI startup(): 41 278598 isix03.benchmarkcenter.megware.com {62,317,318}
[0] MPI startup(): 42 278582 isix03.benchmarkcenter.megware.com {63,64,319}
[0] MPI startup(): 43 278505 isix03.benchmarkcenter.megware.com {65,320,321}
[0] MPI startup(): 44 278495 isix03.benchmarkcenter.megware.com {66,67,322}
[0] MPI startup(): 45 278531 isix03.benchmarkcenter.megware.com {68,323,324}
[0] MPI startup(): 46 278528 isix03.benchmarkcenter.megware.com {69,70,325}
[0] MPI startup(): 47 278612 isix03.benchmarkcenter.megware.com {71,326,327}
[0] MPI startup(): 48 278613 isix03.benchmarkcenter.megware.com {72,73,328}
[0] MPI startup(): 49 278599 isix03.benchmarkcenter.megware.com {74,329,330}
[0] MPI startup(): 50 278603 isix03.benchmarkcenter.megware.com {75,76,331}
[0] MPI startup(): 51 278607 isix03.benchmarkcenter.megware.com {77,332,333}
[0] MPI startup(): 52 278584 isix03.benchmarkcenter.megware.com {78,79,334}
[0] MPI startup(): 53 278573 isix03.benchmarkcenter.megware.com {80,335,336}
[0] MPI startup(): 54 278513 isix03.benchmarkcenter.megware.com {81,82,337}
[0] MPI startup(): 55 278494 isix03.benchmarkcenter.megware.com {83,338,339}
[0] MPI startup(): 56 278604 isix03.benchmarkcenter.megware.com {84,85,340}
[0] MPI startup(): 57 278516 isix03.benchmarkcenter.megware.com {86,341,342}
[0] MPI startup(): 58 278473 isix03.benchmarkcenter.megware.com {87,88,343}
[0] MPI startup(): 59 278535 isix03.benchmarkcenter.megware.com {89,344,345}
[0] MPI startup(): 60 278490 isix03.benchmarkcenter.megware.com {90,91,346}
[0] MPI startup(): 61 278543 isix03.benchmarkcenter.megware.com {92,347,348}
[0] MPI startup(): 62 278609 isix03.benchmarkcenter.megware.com {93,94,349}
[0] MPI startup(): 63 278596 isix03.benchmarkcenter.megware.com {95,350,351}
[0] MPI startup(): 64 278587 isix03.benchmarkcenter.megware.com {96,97,352}
[0] MPI startup(): 65 278583 isix03.benchmarkcenter.megware.com {98,353,354}
[0] MPI startup(): 66 278594 isix03.benchmarkcenter.megware.com {99,100,355}
[0] MPI startup(): 67 278509 isix03.benchmarkcenter.megware.com {101,356,357}
[0] MPI startup(): 68 278567 isix03.benchmarkcenter.megware.com {102,103,358}
[0] MPI startup(): 69 278566 isix03.benchmarkcenter.megware.com {104,359,360}
[0] MPI startup(): 70 278549 isix03.benchmarkcenter.megware.com {105,106,361}
[0] MPI startup(): 71 278481 isix03.benchmarkcenter.megware.com {107,362,363}
[0] MPI startup(): 72 278522 isix03.benchmarkcenter.megware.com {108,109,364}
[0] MPI startup(): 73 278489 isix03.benchmarkcenter.megware.com {110,365,366}
[0] MPI startup(): 74 278525 isix03.benchmarkcenter.megware.com {111,112,367}
[0] MPI startup(): 75 278511 isix03.benchmarkcenter.megware.com {113,368,369}
[0] MPI startup(): 76 278536 isix03.benchmarkcenter.megware.com {114,115,370}
[0] MPI startup(): 77 278564 isix03.benchmarkcenter.megware.com {116,371,372}
[0] MPI startup(): 78 278486 isix03.benchmarkcenter.megware.com {117,118,373}
[0] MPI startup(): 79 278518 isix03.benchmarkcenter.megware.com {119,374,375}
[0] MPI startup(): 80 278517 isix03.benchmarkcenter.megware.com {120,121,376}
[0] MPI startup(): 81 278479 isix03.benchmarkcenter.megware.com {122,377,378}
[0] MPI startup(): 82 278545 isix03.benchmarkcenter.megware.com {123,124,379}
[0] MPI startup(): 83 278482 isix03.benchmarkcenter.megware.com {125,380,381}
[0] MPI startup(): 84 278571 isix03.benchmarkcenter.megware.com {126,127,382}
[0] MPI startup(): 85 278610 isix03.benchmarkcenter.megware.com {128,383,384}
[0] MPI startup(): 86 278577 isix03.benchmarkcenter.megware.com {129,130,385}
[0] MPI startup(): 87 278562 isix03.benchmarkcenter.megware.com {131,386,387}
[0] MPI startup(): 88 278478 isix03.benchmarkcenter.megware.com {132,133,388}
[0] MPI startup(): 89 278592 isix03.benchmarkcenter.megware.com {134,389,390}
[0] MPI startup(): 90 278480 isix03.benchmarkcenter.megware.com {135,136,391}
[0] MPI startup(): 91 278570 isix03.benchmarkcenter.megware.com {137,392,393}
[0] MPI startup(): 92 278488 isix03.benchmarkcenter.megware.com {138,139,394}
[0] MPI startup(): 93 278551 isix03.benchmarkcenter.megware.com {140,395,396}
[0] MPI startup(): 94 278557 isix03.benchmarkcenter.megware.com {141,142,397}
[0] MPI startup(): 95 278550 isix03.benchmarkcenter.megware.com {143,398,399}
[0] MPI startup(): 96 278552 isix03.benchmarkcenter.megware.com {144,145,400}
[0] MPI startup(): 97 278591 isix03.benchmarkcenter.megware.com {146,401,402}
[0] MPI startup(): 98 278601 isix03.benchmarkcenter.megware.com {147,148,403}
[0] MPI startup(): 99 278510 isix03.benchmarkcenter.megware.com {149,404,405}
[0] MPI startup(): 100 278483 isix03.benchmarkcenter.megware.com {150,151,406}
[0] MPI startup(): 101 278512 isix03.benchmarkcenter.megware.com {152,407,408}
[0] MPI startup(): 102 278487 isix03.benchmarkcenter.megware.com {153,154,409}
[0] MPI startup(): 103 278563 isix03.benchmarkcenter.megware.com {155,410,411}
[0] MPI startup(): 104 278595 isix03.benchmarkcenter.megware.com {156,157,412}
[0] MPI startup(): 105 278546 isix03.benchmarkcenter.megware.com {158,413,414}
[0] MPI startup(): 106 278544 isix03.benchmarkcenter.megware.com {159,160,415}
[0] MPI startup(): 107 278519 isix03.benchmarkcenter.megware.com {161,416,417}
[0] MPI startup(): 108 278477 isix03.benchmarkcenter.megware.com {162,163,418}
[0] MPI startup(): 109 278593 isix03.benchmarkcenter.megware.com {164,419,420}
[0] MPI startup(): 110 278534 isix03.benchmarkcenter.megware.com {165,166,421}
[0] MPI startup(): 111 278547 isix03.benchmarkcenter.megware.com {167,422,423}
[0] MPI startup(): 112 278526 isix03.benchmarkcenter.megware.com {168,169,424}
[0] MPI startup(): 113 278556 isix03.benchmarkcenter.megware.com {170,425,426}
[0] MPI startup(): 114 278474 isix03.benchmarkcenter.megware.com {171,172,427}
[0] MPI startup(): 115 278530 isix03.benchmarkcenter.megware.com {173,428,429}
[0] MPI startup(): 116 278565 isix03.benchmarkcenter.megware.com {174,175,430}
[0] MPI startup(): 117 278521 isix03.benchmarkcenter.megware.com {176,431,432}
[0] MPI startup(): 118 278538 isix03.benchmarkcenter.megware.com {177,178,433}
[0] MPI startup(): 119 278484 isix03.benchmarkcenter.megware.com {179,434,435}
[0] MPI startup(): 120 278496 isix03.benchmarkcenter.megware.com {180,181,436}
[0] MPI startup(): 121 278497 isix03.benchmarkcenter.megware.com {182,437,438}
[0] MPI startup(): 122 278485 isix03.benchmarkcenter.megware.com {183,184,439}
[0] MPI startup(): 123 278606 isix03.benchmarkcenter.megware.com {185,440,441}
[0] MPI startup(): 124 278569 isix03.benchmarkcenter.megware.com {186,187,442}
[0] MPI startup(): 125 278475 isix03.benchmarkcenter.megware.com {188,443,444}
[0] MPI startup(): 126 278572 isix03.benchmarkcenter.megware.com {189,190,445}
[0] MPI startup(): 127 278541 isix03.benchmarkcenter.megware.com {191,446,447}
[0] MPI startup(): 128 278605 isix03.benchmarkcenter.megware.com {192,193,448}
[0] MPI startup(): 129 278537 isix03.benchmarkcenter.megware.com {194,449,450}
[0] MPI startup(): 130 278498 isix03.benchmarkcenter.megware.com {195,196,451}
[0] MPI startup(): 131 278558 isix03.benchmarkcenter.megware.com {197,452,453}
[0] MPI startup(): 132 278553 isix03.benchmarkcenter.megware.com {198,199,454}
[0] MPI startup(): 133 278501 isix03.benchmarkcenter.megware.com {200,455,456}
[0] MPI startup(): 134 278585 isix03.benchmarkcenter.megware.com {201,202,457}
[0] MPI startup(): 135 278491 isix03.benchmarkcenter.megware.com {203,458,459}
[0] MPI startup(): 136 278520 isix03.benchmarkcenter.megware.com {204,205,460}
[0] MPI startup(): 137 278576 isix03.benchmarkcenter.megware.com {206,461,462}
[0] MPI startup(): 138 278548 isix03.benchmarkcenter.megware.com {207,208,463}
[0] MPI startup(): 139 278539 isix03.benchmarkcenter.megware.com {209,464,465}
[0] MPI startup(): 140 278560 isix03.benchmarkcenter.megware.com {210,211,466}
[0] MPI startup(): 141 278540 isix03.benchmarkcenter.megware.com {212,467,468}
[0] MPI startup(): 142 278532 isix03.benchmarkcenter.megware.com {213,214,469}
[0] MPI startup(): 143 278514 isix03.benchmarkcenter.megware.com {215,470,471}
OMP: pid 278578 tid 278578 thread 0 bound to OS proc set {305}
OMP: pid 278596 tid 278596 thread 0 bound to OS proc set {350}
OMP: pid 278473 tid 278473 thread 0 bound to OS proc set {87}
OMP: pid 278539 tid 278539 thread 0 bound to OS proc set {464}
OMP: pid 278520 tid 278520 thread 0 bound to OS proc set {204}
OMP: pid 278478 tid 278478 thread 0 bound to OS proc set {132}
OMP: pid 278552 tid 278552 thread 0 bound to OS proc set {144}
OMP: pid 278519 tid 278519 thread 0 bound to OS proc set {416}
OMP: pid 278602 tid 278602 thread 0 bound to OS proc set {266}
OMP: pid 278492 tid 278492 thread 0 bound to OS proc set {57}
OMP: pid 278556 tid 278556 thread 0 bound to OS proc set {425}
OMP: pid 278495 tid 278495 thread 0 bound to OS proc set {66}
OMP: pid 278532 tid 278532 thread 0 bound to OS proc set {213}
OMP: pid 278494 tid 278494 thread 0 bound to OS proc set {338}
OMP: pid 278503 tid 278503 thread 0 bound to OS proc set {269}
OMP: pid 278534 tid 278534 thread 0 bound to OS proc set {165}
OMP: pid 278567 tid 278567 thread 0 bound to OS proc set {102}
OMP: pid 278589 tid 278589 thread 0 bound to OS proc set {314}
OMP: pid 278510 tid 278510 thread 0 bound to OS proc set {404}
OMP: pid 278523 tid 278523 thread 0 bound to OS proc set {51}
OMP: pid 278615 tid 278615 thread 0 bound to OS proc set {284}
OMP: pid 278590 tid 278590 thread 0 bound to OS proc set {302}
OMP: pid 278533 tid 278533 thread 0 bound to OS proc set {308}
OMP: pid 278547 tid 278547 thread 0 bound to OS proc set {422}
OMP: pid 278557 tid 278557 thread 0 bound to OS proc set {141}
OMP: pid 278501 tid 278501 thread 0 bound to OS proc set {455}
OMP: pid 278549 tid 278549 thread 0 bound to OS proc set {105}
OMP: pid 278511 tid 278511 thread 0 bound to OS proc set {368}
OMP: pid 278525 tid 278525 thread 0 bound to OS proc set {111}
OMP: pid 278491 tid 278491 thread 0 bound to OS proc set {458}
OMP: pid 278497 tid 278497 thread 0 bound to OS proc set {437}
OMP: pid 278582 tid 278582 thread 0 bound to OS proc set {63}
OMP: pid 278508 tid 278508 thread 0 bound to OS proc set {275}
OMP: pid 278565 tid 278565 thread 0 bound to OS proc set {174}
OMP: pid 278536 tid 278536 thread 0 bound to OS proc set {114}
OMP: pid 278580 tid 278580 thread 0 bound to OS proc set {272}
OMP: pid 278527 tid 278527 thread 0 bound to OS proc set {27}
OMP: pid 278481 tid 278481 thread 0 bound to OS proc set {362}
OMP: pid 278603 tid 278603 thread 0 bound to OS proc set {75}
OMP: pid 278597 tid 278597 thread 0 bound to OS proc set {299}
OMP: pid 278516 tid 278516 thread 0 bound to OS proc set {341}
OMP: pid 278553 tid 278553 thread 0 bound to OS proc set {198}
OMP: pid 278611 tid 278611 thread 0 bound to OS proc set {54}
OMP: pid 278500 tid 278500 thread 0 bound to OS proc set {36}
OMP: pid 278585 tid 278585 thread 0 bound to OS proc set {201}
OMP: pid 278499 tid 278499 thread 0 bound to OS proc set {45}
OMP: pid 278526 tid 278526 thread 0 bound to OS proc set {168}
OMP: pid 278524 tid 278524 thread 0 bound to OS proc set {293}
OMP: pid 278479 tid 278479 thread 0 bound to OS proc set {377}
OMP: pid 278550 tid 278550 thread 0 bound to OS proc set {398}
OMP: pid 278493 tid 278493 thread 0 bound to OS proc set {21}
OMP: pid 278562 tid 278562 thread 0 bound to OS proc set {386}
OMP: pid 278502 tid 278502 thread 0 bound to OS proc set {60}
OMP: pid 278474 tid 278474 thread 0 bound to OS proc set {171}
OMP: pid 278581 tid 278581 thread 0 bound to OS proc set {260}
OMP: pid 278586 tid 278586 thread 0 bound to OS proc set {287}
OMP: pid 278599 tid 278599 thread 0 bound to OS proc set {329}
OMP: pid 278579 tid 278579 thread 0 bound to OS proc set {33}
OMP: pid 278486 tid 278486 thread 0 bound to OS proc set {117}
OMP: pid 278566 tid 278566 thread 0 bound to OS proc set {359}
OMP: pid 278545 tid 278545 thread 0 bound to OS proc set {123}
OMP: pid 278563 tid 278563 thread 0 bound to OS proc set {410}
OMP: pid 278591 tid 278591 thread 0 bound to OS proc set {401}
OMP: pid 278583 tid 278583 thread 0 bound to OS proc set {353}
OMP: pid 278487 tid 278487 thread 0 bound to OS proc set {153}
OMP: pid 278496 tid 278496 thread 0 bound to OS proc set {180}
OMP: pid 278537 tid 278537 thread 0 bound to OS proc set {449}
OMP: pid 278598 tid 278598 thread 0 bound to OS proc set {317}
OMP: pid 278604 tid 278604 thread 0 bound to OS proc set {84}
OMP: pid 278480 tid 278480 thread 0 bound to OS proc set {135}
OMP: pid 278584 tid 278584 thread 0 bound to OS proc set {78}
OMP: pid 278560 tid 278560 thread 0 bound to OS proc set {210}
OMP: pid 278506 tid 278506 thread 0 bound to OS proc set {18}
OMP: pid 278517 tid 278517 thread 0 bound to OS proc set {120}
OMP: pid 278488 tid 278488 thread 0 bound to OS proc set {138}
OMP: pid 278551 tid 278551 thread 0 bound to OS proc set {395}
OMP: pid 278484 tid 278484 thread 0 bound to OS proc set {434}
OMP: pid 278544 tid 278544 thread 0 bound to OS proc set {159}
OMP: pid 278605 tid 278605 thread 0 bound to OS proc set {192}
OMP: pid 278607 tid 278607 thread 0 bound to OS proc set {332}
OMP: pid 278472 tid 278472 thread 0 bound to OS proc set {3}
OMP: pid 278576 tid 278576 thread 0 bound to OS proc set {461}
OMP: pid 278606 tid 278606 thread 0 bound to OS proc set {440}
OMP: pid 278574 tid 278574 thread 0 bound to OS proc set {42}
OMP: pid 278577 tid 278577 thread 0 bound to OS proc set {129}
OMP: pid 278570 tid 278570 thread 0 bound to OS proc set {392}
OMP: pid 278575 tid 278575 thread 0 bound to OS proc set {257}
OMP: pid 278541 tid 278541 thread 0 bound to OS proc set {446}
OMP: pid 278475 tid 278475 thread 0 bound to OS proc set {443}
OMP: pid 278504 tid 278504 thread 0 bound to OS proc set {48}
OMP: pid 278568 tid 278568 thread 0 bound to OS proc set {311}
OMP: pid 278613 tid 278613 thread 0 bound to OS proc set {72}
OMP: pid 278614 tid 278614 thread 0 bound to OS proc set {6}
OMP: pid 278546 tid 278546 thread 0 bound to OS proc set {413}
OMP: pid 278505 tid 278505 thread 0 bound to OS proc set {320}
OMP: pid 278535 tid 278535 thread 0 bound to OS proc set {344}
OMP: pid 278594 tid 278594 thread 0 bound to OS proc set {99}
OMP: pid 278564 tid 278564 thread 0 bound to OS proc set {371}
OMP: pid 278483 tid 278483 thread 0 bound to OS proc set {150}
OMP: pid 278559 tid 278559 thread 0 bound to OS proc set {263}
OMP: pid 278518 tid 278518 thread 0 bound to OS proc set {374}
OMP: pid 278514 tid 278514 thread 0 bound to OS proc set {470}
OMP: pid 278612 tid 278612 thread 0 bound to OS proc set {326}
OMP: pid 278609 tid 278609 thread 0 bound to OS proc set {93}
OMP: pid 278555 tid 278555 thread 0 bound to OS proc set {281}
OMP: pid 278571 tid 278571 thread 0 bound to OS proc set {126}
OMP: pid 278610 tid 278610 thread 0 bound to OS proc set {383}
OMP: pid 278489 tid 278489 thread 0 bound to OS proc set {365}
OMP: pid 278538 tid 278538 thread 0 bound to OS proc set {177}
OMP: pid 278569 tid 278569 thread 0 bound to OS proc set {186}
OMP: pid 278595 tid 278595 thread 0 bound to OS proc set {156}
OMP: pid 278572 tid 278572 thread 0 bound to OS proc set {189}
OMP: pid 278548 tid 278548 thread 0 bound to OS proc set {207}
OMP: pid 278485 tid 278485 thread 0 bound to OS proc set {183}
OMP: pid 278490 tid 278490 thread 0 bound to OS proc set {90}
OMP: pid 278477 tid 278477 thread 0 bound to OS proc set {162}
OMP: pid 278561 tid 278561 thread 0 bound to OS proc set {24}
OMP: pid 278522 tid 278522 thread 0 bound to OS proc set {108}
OMP: pid 278592 tid 278592 thread 0 bound to OS proc set {389}
OMP: pid 278601 tid 278601 thread 0 bound to OS proc set {147}
OMP: pid 278498 tid 278498 thread 0 bound to OS proc set {195}
OMP: pid 278512 tid 278512 thread 0 bound to OS proc set {407}
OMP: pid 278513 tid 278513 thread 0 bound to OS proc set {81}
OMP: pid 278608 tid 278608 thread 0 bound to OS proc set {30}
OMP: pid 278528 tid 278528 thread 0 bound to OS proc set {69}
OMP: pid 278543 tid 278543 thread 0 bound to OS proc set {347}
OMP: pid 278554 tid 278554 thread 0 bound to OS proc set {12}
OMP: pid 278573 tid 278573 thread 0 bound to OS proc set {335}
OMP: pid 278531 tid 278531 thread 0 bound to OS proc set {323}
OMP: pid 278530 tid 278530 thread 0 bound to OS proc set {428}
OMP: pid 278521 tid 278521 thread 0 bound to OS proc set {431}
OMP: pid 278540 tid 278540 thread 0 bound to OS proc set {467}
OMP: pid 278476 tid 278476 thread 0 bound to OS proc set {9}
OMP: pid 278593 tid 278593 thread 0 bound to OS proc set {419}
OMP: pid 278587 tid 278587 thread 0 bound to OS proc set {96}
OMP: pid 278507 tid 278507 thread 0 bound to OS proc set {0}
OMP: pid 278542 tid 278542 thread 0 bound to OS proc set {278}
OMP: pid 278515 tid 278515 thread 0 bound to OS proc set {296}
OMP: pid 278558 tid 278558 thread 0 bound to OS proc set {452}
OMP: pid 278529 tid 278529 thread 0 bound to OS proc set {15}
OMP: pid 278600 tid 278600 thread 0 bound to OS proc set {290}
OMP: pid 278588 tid 278588 thread 0 bound to OS proc set {39}
OMP: pid 278509 tid 278509 thread 0 bound to OS proc set {356}
OMP: pid 278482 tid 278482 thread 0 bound to OS proc set {380}
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)
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 = 0.054 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 88.94 | 92.03 | 94.56 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 2.13378 on 144 procs for 10 steps with 32768000 atoms
Performance: 2.025 ns/day, 11.854 hours/ns, 4.687 timesteps/s, 153.568 Matom-step/s
94.6% CPU use with 144 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.5077 | 1.5807 | 1.7208 | 2.4 | 74.08
Neigh | 0.2303 | 0.24844 | 0.26763 | 0.7 | 11.64
Comm | 0.05417 | 0.16671 | 0.2565 | 7.9 | 7.81
Output | 0.012122 | 0.013021 | 0.017801 | 0.6 | 0.61
Modify | 0.022842 | 0.051572 | 0.065456 | 2.8 | 2.42
Other | | 0.07332 | | | 3.44
Nlocal: 227556 ave 228725 max 227100 min
Histogram: 75 18 19 0 0 0 0 0 18 14
Nghost: 66464.3 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 8.54076e+06 min
Histogram: 34 22 39 14 3 0 2 11 7 12
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 88.99 | 92.05 | 94.56 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 147.627 on 144 procs for 500 steps with 32768000 atoms
Performance: 1.463 ns/day, 16.403 hours/ns, 3.387 timesteps/s, 110.982 Matom-step/s
98.9% CPU use with 144 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 105.11 | 108.19 | 117.74 | 23.1 | 73.29
Neigh | 21.364 | 22.309 | 24.83 | 12.0 | 15.11
Comm | 2.0008 | 11.246 | 16.069 | 57.1 | 7.62
Output | 0.017401 | 0.022068 | 0.039544 | 1.6 | 0.01
Modify | 0.7867 | 2.0004 | 2.4497 | 26.1 | 1.36
Other | | 3.86 | | | 2.61
Nlocal: 227556 ave 228838 max 226684 min
Histogram: 8 17 43 30 11 3 3 3 17 9
Nghost: 66460.3 ave 68040 max 63928 min
Histogram: 6 7 11 17 6 4 26 22 24 21
Neighs: 8.58956e+06 ave 8.64853e+06 max 8.55399e+06 min
Histogram: 8 30 33 29 7 8 5 10 9 5
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:31
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_4 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 168 Lprof instances in isix03.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 281865 isix03.benchmarkcenter.megware.com {0,1,256}
[0] MPI startup(): 1 281950 isix03.benchmarkcenter.megware.com {2,257,258}
[0] MPI startup(): 2 281854 isix03.benchmarkcenter.megware.com {3,4,259}
[0] MPI startup(): 3 281832 isix03.benchmarkcenter.megware.com {5,260,261}
[0] MPI startup(): 4 281959 isix03.benchmarkcenter.megware.com {6,7,262}
[0] MPI startup(): 5 281957 isix03.benchmarkcenter.megware.com {8,263,264}
[0] MPI startup(): 6 281807 isix03.benchmarkcenter.megware.com {9,10,265}
[0] MPI startup(): 7 281877 isix03.benchmarkcenter.megware.com {11,266,267}
[0] MPI startup(): 8 281819 isix03.benchmarkcenter.megware.com {12,13,268}
[0] MPI startup(): 9 281835 isix03.benchmarkcenter.megware.com {14,269,270}
[0] MPI startup(): 10 281965 isix03.benchmarkcenter.megware.com {15,16,271}
[0] MPI startup(): 11 281915 isix03.benchmarkcenter.megware.com {17,272,273}
[0] MPI startup(): 12 281895 isix03.benchmarkcenter.megware.com {18,19,274}
[0] MPI startup(): 13 281920 isix03.benchmarkcenter.megware.com {20,275,276}
[0] MPI startup(): 14 281876 isix03.benchmarkcenter.megware.com {21,22,277}
[0] MPI startup(): 15 281852 isix03.benchmarkcenter.megware.com {23,278,279}
[0] MPI startup(): 16 281951 isix03.benchmarkcenter.megware.com {24,25,280}
[0] MPI startup(): 17 281879 isix03.benchmarkcenter.megware.com {26,281,282}
[0] MPI startup(): 18 281966 isix03.benchmarkcenter.megware.com {27,28,283}
[0] MPI startup(): 19 281953 isix03.benchmarkcenter.megware.com {29,284,285}
[0] MPI startup(): 20 281851 isix03.benchmarkcenter.megware.com {30,31,286}
[0] MPI startup(): 21 281939 isix03.benchmarkcenter.megware.com {32,287,288}
[0] MPI startup(): 22 281904 isix03.benchmarkcenter.megware.com {33,34,289}
[0] MPI startup(): 23 281827 isix03.benchmarkcenter.megware.com {35,290,291}
[0] MPI startup(): 24 281812 isix03.benchmarkcenter.megware.com {36,37,292}
[0] MPI startup(): 25 281906 isix03.benchmarkcenter.megware.com {38,293,294}
[0] MPI startup(): 26 281956 isix03.benchmarkcenter.megware.com {39,40,295}
[0] MPI startup(): 27 281923 isix03.benchmarkcenter.megware.com {41,296,297}
[0] MPI startup(): 28 281938 isix03.benchmarkcenter.megware.com {42,43,298}
[0] MPI startup(): 29 281870 isix03.benchmarkcenter.megware.com {44,299,300}
[0] MPI startup(): 30 281834 isix03.benchmarkcenter.megware.com {45,46,301}
[0] MPI startup(): 31 281940 isix03.benchmarkcenter.megware.com {47,302,303}
[0] MPI startup(): 32 281932 isix03.benchmarkcenter.megware.com {48,49,304}
[0] MPI startup(): 33 281875 isix03.benchmarkcenter.megware.com {50,305,306}
[0] MPI startup(): 34 281968 isix03.benchmarkcenter.megware.com {51,52,307}
[0] MPI startup(): 35 281808 isix03.benchmarkcenter.megware.com {53,308,309}
[0] MPI startup(): 36 281945 isix03.benchmarkcenter.megware.com {54,55,310}
[0] MPI startup(): 37 281942 isix03.benchmarkcenter.megware.com {56,311,312}
[0] MPI startup(): 38 281896 isix03.benchmarkcenter.megware.com {57,58,313}
[0] MPI startup(): 39 281931 isix03.benchmarkcenter.megware.com {59,314,315}
[0] MPI startup(): 40 281958 isix03.benchmarkcenter.megware.com {60,61,316}
[0] MPI startup(): 41 281972 isix03.benchmarkcenter.megware.com {62,317,318}
[0] MPI startup(): 42 281829 isix03.benchmarkcenter.megware.com {63,64,319}
[0] MPI startup(): 43 281838 isix03.benchmarkcenter.megware.com {65,320,321}
[0] MPI startup(): 44 281893 isix03.benchmarkcenter.megware.com {66,67,322}
[0] MPI startup(): 45 281974 isix03.benchmarkcenter.megware.com {68,323,324}
[0] MPI startup(): 46 281928 isix03.benchmarkcenter.megware.com {69,70,325}
[0] MPI startup(): 47 281897 isix03.benchmarkcenter.megware.com {71,326,327}
[0] MPI startup(): 48 281871 isix03.benchmarkcenter.megware.com {72,73,328}
[0] MPI startup(): 49 281864 isix03.benchmarkcenter.megware.com {74,329,330}
[0] MPI startup(): 50 281813 isix03.benchmarkcenter.megware.com {75,76,331}
[0] MPI startup(): 51 281824 isix03.benchmarkcenter.megware.com {77,332,333}
[0] MPI startup(): 52 281857 isix03.benchmarkcenter.megware.com {78,79,334}
[0] MPI startup(): 53 281929 isix03.benchmarkcenter.megware.com {80,335,336}
[0] MPI startup(): 54 281856 isix03.benchmarkcenter.megware.com {81,82,337}
[0] MPI startup(): 55 281964 isix03.benchmarkcenter.megware.com {83,338,339}
[0] MPI startup(): 56 281910 isix03.benchmarkcenter.megware.com {84,85,340}
[0] MPI startup(): 57 281831 isix03.benchmarkcenter.megware.com {86,341,342}
[0] MPI startup(): 58 281909 isix03.benchmarkcenter.megware.com {87,88,343}
[0] MPI startup(): 59 281960 isix03.benchmarkcenter.megware.com {89,344,345}
[0] MPI startup(): 60 281810 isix03.benchmarkcenter.megware.com {90,91,346}
[0] MPI startup(): 61 281885 isix03.benchmarkcenter.megware.com {92,347,348}
[0] MPI startup(): 62 281828 isix03.benchmarkcenter.megware.com {93,94,349}
[0] MPI startup(): 63 281816 isix03.benchmarkcenter.megware.com {95,350,351}
[0] MPI startup(): 64 281898 isix03.benchmarkcenter.megware.com {96,97,352}
[0] MPI startup(): 65 281973 isix03.benchmarkcenter.megware.com {98,353,354}
[0] MPI startup(): 66 281830 isix03.benchmarkcenter.megware.com {99,100,355}
[0] MPI startup(): 67 281927 isix03.benchmarkcenter.megware.com {101,356,357}
[0] MPI startup(): 68 281863 isix03.benchmarkcenter.megware.com {102,103,358}
[0] MPI startup(): 69 281902 isix03.benchmarkcenter.megware.com {104,359,360}
[0] MPI startup(): 70 281903 isix03.benchmarkcenter.megware.com {105,106,361}
[0] MPI startup(): 71 281883 isix03.benchmarkcenter.megware.com {107,362,363}
[0] MPI startup(): 72 281820 isix03.benchmarkcenter.megware.com {108,109,364}
[0] MPI startup(): 73 281944 isix03.benchmarkcenter.megware.com {110,365,366}
[0] MPI startup(): 74 281878 isix03.benchmarkcenter.megware.com {111,112,367}
[0] MPI startup(): 75 281908 isix03.benchmarkcenter.megware.com {113,368,369}
[0] MPI startup(): 76 281975 isix03.benchmarkcenter.megware.com {114,115,370}
[0] MPI startup(): 77 281941 isix03.benchmarkcenter.megware.com {116,371,372}
[0] MPI startup(): 78 281919 isix03.benchmarkcenter.megware.com {117,118,373}
[0] MPI startup(): 79 281840 isix03.benchmarkcenter.megware.com {119,374,375}
[0] MPI startup(): 80 281880 isix03.benchmarkcenter.megware.com {120,121,376}
[0] MPI startup(): 81 281924 isix03.benchmarkcenter.megware.com {122,377,378}
[0] MPI startup(): 82 281869 isix03.benchmarkcenter.megware.com {123,124,379}
[0] MPI startup(): 83 281925 isix03.benchmarkcenter.megware.com {125,380,381}
[0] MPI startup(): 84 281900 isix03.benchmarkcenter.megware.com {126,127,382}
[0] MPI startup(): 85 281821 isix03.benchmarkcenter.megware.com {128,383,384}
[0] MPI startup(): 86 281963 isix03.benchmarkcenter.megware.com {129,130,385}
[0] MPI startup(): 87 281922 isix03.benchmarkcenter.megware.com {131,386,387}
[0] MPI startup(): 88 281814 isix03.benchmarkcenter.megware.com {132,133,388}
[0] MPI startup(): 89 281818 isix03.benchmarkcenter.megware.com {134,389,390}
[0] MPI startup(): 90 281943 isix03.benchmarkcenter.megware.com {135,136,391}
[0] MPI startup(): 91 281888 isix03.benchmarkcenter.megware.com {137,392,393}
[0] MPI startup(): 92 281881 isix03.benchmarkcenter.megware.com {138,139,394}
[0] MPI startup(): 93 281978 isix03.benchmarkcenter.megware.com {140,395,396}
[0] MPI startup(): 94 281868 isix03.benchmarkcenter.megware.com {141,142,397}
[0] MPI startup(): 95 281921 isix03.benchmarkcenter.megware.com {143,398,399}
[0] MPI startup(): 96 281815 isix03.benchmarkcenter.megware.com {144,145,400}
[0] MPI startup(): 97 281809 isix03.benchmarkcenter.megware.com {146,401,402}
[0] MPI startup(): 98 281933 isix03.benchmarkcenter.megware.com {147,148,403}
[0] MPI startup(): 99 281934 isix03.benchmarkcenter.megware.com {149,404,405}
[0] MPI startup(): 100 281845 isix03.benchmarkcenter.megware.com {150,151,406}
[0] MPI startup(): 101 281891 isix03.benchmarkcenter.megware.com {152,407,408}
[0] MPI startup(): 102 281882 isix03.benchmarkcenter.megware.com {153,154,409}
[0] MPI startup(): 103 281843 isix03.benchmarkcenter.megware.com {155,410,411}
[0] MPI startup(): 104 281916 isix03.benchmarkcenter.megware.com {156,157,412}
[0] MPI startup(): 105 281899 isix03.benchmarkcenter.megware.com {158,413,414}
[0] MPI startup(): 106 281886 isix03.benchmarkcenter.megware.com {159,160,415}
[0] MPI startup(): 107 281947 isix03.benchmarkcenter.megware.com {161,416,417}
[0] MPI startup(): 108 281842 isix03.benchmarkcenter.megware.com {162,163,418}
[0] MPI startup(): 109 281901 isix03.benchmarkcenter.megware.com {164,419,420}
[0] MPI startup(): 110 281887 isix03.benchmarkcenter.megware.com {165,166,421}
[0] MPI startup(): 111 281844 isix03.benchmarkcenter.megware.com {167,422,423}
[0] MPI startup(): 112 281970 isix03.benchmarkcenter.megware.com {168,169,424}
[0] MPI startup(): 113 281825 isix03.benchmarkcenter.megware.com {170,425,426}
[0] MPI startup(): 114 281822 isix03.benchmarkcenter.megware.com {171,172,427}
[0] MPI startup(): 115 281930 isix03.benchmarkcenter.megware.com {173,428,429}
[0] MPI startup(): 116 281955 isix03.benchmarkcenter.megware.com {174,175,430}
[0] MPI startup(): 117 281961 isix03.benchmarkcenter.megware.com {176,431,432}
[0] MPI startup(): 118 281853 isix03.benchmarkcenter.megware.com {177,178,433}
[0] MPI startup(): 119 281977 isix03.benchmarkcenter.megware.com {179,434,435}
[0] MPI startup(): 120 281873 isix03.benchmarkcenter.megware.com {180,181,436}
[0] MPI startup(): 121 281889 isix03.benchmarkcenter.megware.com {182,437,438}
[0] MPI startup(): 122 281949 isix03.benchmarkcenter.megware.com {183,184,439}
[0] MPI startup(): 123 281913 isix03.benchmarkcenter.megware.com {185,440,441}
[0] MPI startup(): 124 281954 isix03.benchmarkcenter.megware.com {186,187,442}
[0] MPI startup(): 125 281926 isix03.benchmarkcenter.megware.com {188,443,444}
[0] MPI startup(): 126 281850 isix03.benchmarkcenter.megware.com {189,190,445}
[0] MPI startup(): 127 281833 isix03.benchmarkcenter.megware.com {191,446,447}
[0] MPI startup(): 128 281917 isix03.benchmarkcenter.megware.com {192,193,448}
[0] MPI startup(): 129 281855 isix03.benchmarkcenter.megware.com {194,449,450}
[0] MPI startup(): 130 281971 isix03.benchmarkcenter.megware.com {195,196,451}
[0] MPI startup(): 131 281936 isix03.benchmarkcenter.megware.com {197,452,453}
[0] MPI startup(): 132 281890 isix03.benchmarkcenter.megware.com {198,199,454}
[0] MPI startup(): 133 281823 isix03.benchmarkcenter.megware.com {200,455,456}
[0] MPI startup(): 134 281861 isix03.benchmarkcenter.megware.com {201,202,457}
[0] MPI startup(): 135 281914 isix03.benchmarkcenter.megware.com {203,458,459}
[0] MPI startup(): 136 281872 isix03.benchmarkcenter.megware.com {204,205,460}
[0] MPI startup(): 137 281948 isix03.benchmarkcenter.megware.com {206,461,462}
[0] MPI startup(): 138 281907 isix03.benchmarkcenter.megware.com {207,208,463}
[0] MPI startup(): 139 281860 isix03.benchmarkcenter.megware.com {209,464,465}
[0] MPI startup(): 140 281935 isix03.benchmarkcenter.megware.com {210,211,466}
[0] MPI startup(): 141 281937 isix03.benchmarkcenter.megware.com {212,467,468}
[0] MPI startup(): 142 281911 isix03.benchmarkcenter.megware.com {213,214,469}
[0] MPI startup(): 143 281952 isix03.benchmarkcenter.megware.com {215,470,471}
[0] MPI startup(): 144 281858 isix03.benchmarkcenter.megware.com {216,217,472}
[0] MPI startup(): 145 281962 isix03.benchmarkcenter.megware.com {218,473,474}
[0] MPI startup(): 146 281847 isix03.benchmarkcenter.megware.com {219,220,475}
[0] MPI startup(): 147 281841 isix03.benchmarkcenter.megware.com {221,476,477}
[0] MPI startup(): 148 281874 isix03.benchmarkcenter.megware.com {222,223,478}
[0] MPI startup(): 149 281884 isix03.benchmarkcenter.megware.com {224,479,480}
[0] MPI startup(): 150 281849 isix03.benchmarkcenter.megware.com {225,226,481}
[0] MPI startup(): 151 281905 isix03.benchmarkcenter.megware.com {227,482,483}
[0] MPI startup(): 152 281912 isix03.benchmarkcenter.megware.com {228,229,484}
[0] MPI startup(): 153 281866 isix03.benchmarkcenter.megware.com {230,485,486}
[0] MPI startup(): 154 281839 isix03.benchmarkcenter.megware.com {231,232,487}
[0] MPI startup(): 155 281837 isix03.benchmarkcenter.megware.com {233,488,489}
[0] MPI startup(): 156 281862 isix03.benchmarkcenter.megware.com {234,235,490}
[0] MPI startup(): 157 281969 isix03.benchmarkcenter.megware.com {236,491,492}
[0] MPI startup(): 158 281848 isix03.benchmarkcenter.megware.com {237,238,493}
[0] MPI startup(): 159 281892 isix03.benchmarkcenter.megware.com {239,494,495}
[0] MPI startup(): 160 281826 isix03.benchmarkcenter.megware.com {240,241,496}
[0] MPI startup(): 161 281967 isix03.benchmarkcenter.megware.com {242,497,498}
[0] MPI startup(): 162 281976 isix03.benchmarkcenter.megware.com {243,244,499}
[0] MPI startup(): 163 281817 isix03.benchmarkcenter.megware.com {245,500,501}
[0] MPI startup(): 164 281846 isix03.benchmarkcenter.megware.com {246,247,502}
[0] MPI startup(): 165 281894 isix03.benchmarkcenter.megware.com {248,503,504}
[0] MPI startup(): 166 281859 isix03.benchmarkcenter.megware.com {249,250,505}
[0] MPI startup(): 167 281867 isix03.benchmarkcenter.megware.com {251,506,507}
OMP: pid 281965 tid 281965 thread 0 bound to OS proc set {15}
OMP: pid 281972 tid 281972 thread 0 bound to OS proc set {317}
OMP: pid 281832 tid 281832 thread 0 bound to OS proc set {260}
OMP: pid 281924 tid 281924 thread 0 bound to OS proc set {377}
OMP: pid 281873 tid 281873 thread 0 bound to OS proc set {180}
OMP: pid 281884 tid 281884 thread 0 bound to OS proc set {479}
OMP: pid 281864 tid 281864 thread 0 bound to OS proc set {329}
OMP: pid 281845 tid 281845 thread 0 bound to OS proc set {150}
OMP: pid 281865 tid 281865 thread 0 bound to OS proc set {0}
OMP: pid 281969 tid 281969 thread 0 bound to OS proc set {491}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 281954 tid 281954 thread 0 bound to OS proc set {186}
OMP: pid 281931 tid 281931 thread 0 bound to OS proc set {314}
OMP: pid 281906 tid 281906 thread 0 bound to OS proc set {293}
OMP: pid 281870 tid 281870 thread 0 bound to OS proc set {299}
OMP: pid 281819 tid 281819 thread 0 bound to OS proc set {12}
OMP: pid 281897 tid 281897 thread 0 bound to OS proc set {326}
OMP: pid 281895 tid 281895 thread 0 bound to OS proc set {18}
OMP: pid 281857 tid 281857 thread 0 bound to OS proc set {78}
OMP: pid 281810 tid 281810 thread 0 bound to OS proc set {90}
OMP: pid 281883 tid 281883 thread 0 bound to OS proc set {362}
OMP: pid 281892 tid 281892 thread 0 bound to OS proc set {494}
OMP: pid 281862 tid 281862 thread 0 bound to OS proc set {234}
OMP: pid 281886 tid 281886 thread 0 bound to OS proc set {159}
OMP: pid 281834 tid 281834 thread 0 bound to OS proc set {45}
OMP: pid 281837 tid 281837 thread 0 bound to OS proc set {488}
OMP: pid 281869 tid 281869 thread 0 bound to OS proc set {123}
OMP: pid 281952 tid 281952 thread 0 bound to OS proc set {470}
OMP: pid 281853 tid 281853 thread 0 bound to OS proc set {177}
OMP: pid 281977 tid 281977 thread 0 bound to OS proc set {434}
OMP: pid 281916 tid 281916 thread 0 bound to OS proc set {156}
OMP: pid 281876 tid 281876 thread 0 bound to OS proc set {21}
OMP: pid 281902 tid 281902 thread 0 bound to OS proc set {359}
OMP: pid 281838 tid 281838 thread 0 bound to OS proc set {320}
OMP: pid 281858 tid 281858 thread 0 bound to OS proc set {216}
OMP: pid 281847 tid 281847 thread 0 bound to OS proc set {219}
OMP: pid 281852 tid 281852 thread 0 bound to OS proc set {278}
OMP: pid 281877 tid 281877 thread 0 bound to OS proc set {266}
OMP: pid 281930 tid 281930 thread 0 bound to OS proc set {428}
OMP: pid 281872 tid 281872 thread 0 bound to OS proc set {204}
OMP: pid 281953 tid 281953 thread 0 bound to OS proc set {284}
OMP: pid 281839 tid 281839 thread 0 bound to OS proc set {231}
OMP: pid 281824 tid 281824 thread 0 bound to OS proc set {332}
OMP: pid 281913 tid 281913 thread 0 bound to OS proc set {440}
OMP: pid 281970 tid 281970 thread 0 bound to OS proc set {168}
OMP: pid 281968 tid 281968 thread 0 bound to OS proc set {51}
OMP: pid 281955 tid 281955 thread 0 bound to OS proc set {174}
OMP: pid 281889 tid 281889 thread 0 bound to OS proc set {437}
OMP: pid 281966 tid 281966 thread 0 bound to OS proc set {27}
OMP: pid 281874 tid 281874 thread 0 bound to OS proc set {222}
OMP: pid 281922 tid 281922 thread 0 bound to OS proc set {386}
OMP: pid 281867 tid 281867 thread 0 bound to OS proc set {506}
OMP: pid 281945 tid 281945 thread 0 bound to OS proc set {54}
OMP: pid 281863 tid 281863 thread 0 bound to OS proc set {102}
OMP: pid 281962 tid 281962 thread 0 bound to OS proc set {473}
OMP: pid 281950 tid 281950 thread 0 bound to OS proc set {257}
OMP: pid 281901 tid 281901 thread 0 bound to OS proc set {419}
OMP: pid 281880 tid 281880 thread 0 bound to OS proc set {120}
OMP: pid 281917 tid 281917 thread 0 bound to OS proc set {192}
OMP: pid 281910 tid 281910 thread 0 bound to OS proc set {84}
OMP: pid 281956 tid 281956 thread 0 bound to OS proc set {39}
OMP: pid 281831 tid 281831 thread 0 bound to OS proc set {341}
OMP: pid 281868 tid 281868 thread 0 bound to OS proc set {141}
OMP: pid 281920 tid 281920 thread 0 bound to OS proc set {275}
OMP: pid 281840 tid 281840 thread 0 bound to OS proc set {374}
OMP: pid 281827 tid 281827 thread 0 bound to OS proc set {290}
OMP: pid 281957 tid 281957 thread 0 bound to OS proc set {263}
OMP: pid 281936 tid 281936 thread 0 bound to OS proc set {452}
OMP: pid 281851 tid 281851 thread 0 bound to OS proc set {30}
OMP: pid 281833 tid 281833 thread 0 bound to OS proc set {446}
OMP: pid 281907 tid 281907 thread 0 bound to OS proc set {207}
OMP: pid 281941 tid 281941 thread 0 bound to OS proc set {371}
OMP: pid 281882 tid 281882 thread 0 bound to OS proc set {153}
OMP: pid 281842 tid 281842 thread 0 bound to OS proc set {162}
OMP: pid 281875 tid 281875 thread 0 bound to OS proc set {305}
OMP: pid 281961 tid 281961 thread 0 bound to OS proc set {431}
OMP: pid 281813 tid 281813 thread 0 bound to OS proc set {75}
OMP: pid 281911 tid 281911 thread 0 bound to OS proc set {213}
OMP: pid 281905 tid 281905 thread 0 bound to OS proc set {482}
OMP: pid 281900 tid 281900 thread 0 bound to OS proc set {126}
OMP: pid 281908 tid 281908 thread 0 bound to OS proc set {368}
OMP: pid 281915 tid 281915 thread 0 bound to OS proc set {272}
OMP: pid 281971 tid 281971 thread 0 bound to OS proc set {195}
OMP: pid 281878 tid 281878 thread 0 bound to OS proc set {111}
OMP: pid 281949 tid 281949 thread 0 bound to OS proc set {183}
OMP: pid 281943 tid 281943 thread 0 bound to OS proc set {135}
OMP: pid 281975 tid 281975 thread 0 bound to OS proc set {114}
OMP: pid 281912 tid 281912 thread 0 bound to OS proc set {228}
OMP: pid 281835 tid 281835 thread 0 bound to OS proc set {269}
OMP: pid 281973 tid 281973 thread 0 bound to OS proc set {353}
OMP: pid 281828 tid 281828 thread 0 bound to OS proc set {93}
OMP: pid 281942 tid 281942 thread 0 bound to OS proc set {311}
OMP: pid 281846 tid 281846 thread 0 bound to OS proc set {246}
OMP: pid 281849 tid 281849 thread 0 bound to OS proc set {225}
OMP: pid 281817 tid 281817 thread 0 bound to OS proc set {500}
OMP: pid 281896 tid 281896 thread 0 bound to OS proc set {57}
OMP: pid 281881 tid 281881 thread 0 bound to OS proc set {138}
OMP: pid 281829 tid 281829 thread 0 bound to OS proc set {63}
OMP: pid 281888 tid 281888 thread 0 bound to OS proc set {392}
OMP: pid 281958 tid 281958 thread 0 bound to OS proc set {60}
OMP: pid 281816 tid 281816 thread 0 bound to OS proc set {350}
OMP: pid 281921 tid 281921 thread 0 bound to OS proc set {398}
OMP: pid 281923 tid 281923 thread 0 bound to OS proc set {296}
OMP: pid 281879 tid 281879 thread 0 bound to OS proc set {281}
OMP: pid 281821 tid 281821 thread 0 bound to OS proc set {383}
OMP: pid 281963 tid 281963 thread 0 bound to OS proc set {129}
OMP: pid 281871 tid 281871 thread 0 bound to OS proc set {72}
OMP: pid 281809 tid 281809 thread 0 bound to OS proc set {401}
OMP: pid 281844 tid 281844 thread 0 bound to OS proc set {422}
OMP: pid 281967 tid 281967 thread 0 bound to OS proc set {497}
OMP: pid 281960 tid 281960 thread 0 bound to OS proc set {344}
OMP: pid 281861 tid 281861 thread 0 bound to OS proc set {201}
OMP: pid 281866 tid 281866 thread 0 bound to OS proc set {485}
OMP: pid 281939 tid 281939 thread 0 bound to OS proc set {287}
OMP: pid 281860 tid 281860 thread 0 bound to OS proc set {464}
OMP: pid 281854 tid 281854 thread 0 bound to OS proc set {3}
OMP: pid 281976 tid 281976 thread 0 bound to OS proc set {243}
OMP: pid 281848 tid 281848 thread 0 bound to OS proc set {237}
OMP: pid 281818 tid 281818 thread 0 bound to OS proc set {389}
OMP: pid 281940 tid 281940 thread 0 bound to OS proc set {302}
OMP: pid 281935 tid 281935 thread 0 bound to OS proc set {210}
OMP: pid 281820 tid 281820 thread 0 bound to OS proc set {108}
OMP: pid 281885 tid 281885 thread 0 bound to OS proc set {347}
OMP: pid 281815 tid 281815 thread 0 bound to OS proc set {144}
OMP: pid 281934 tid 281934 thread 0 bound to OS proc set {404}
OMP: pid 281826 tid 281826 thread 0 bound to OS proc set {240}
OMP: pid 281814 tid 281814 thread 0 bound to OS proc set {132}
OMP: pid 281855 tid 281855 thread 0 bound to OS proc set {449}
OMP: pid 281937 tid 281937 thread 0 bound to OS proc set {467}
OMP: pid 281894 tid 281894 thread 0 bound to OS proc set {503}
OMP: pid 281928 tid 281928 thread 0 bound to OS proc set {69}
OMP: pid 281808 tid 281808 thread 0 bound to OS proc set {308}
OMP: pid 281841 tid 281841 thread 0 bound to OS proc set {476}
OMP: pid 281929 tid 281929 thread 0 bound to OS proc set {335}
OMP: pid 281933 tid 281933 thread 0 bound to OS proc set {147}
OMP: pid 281974 tid 281974 thread 0 bound to OS proc set {323}
OMP: pid 281890 tid 281890 thread 0 bound to OS proc set {198}
OMP: pid 281903 tid 281903 thread 0 bound to OS proc set {105}
OMP: pid 281822 tid 281822 thread 0 bound to OS proc set {171}
OMP: pid 281887 tid 281887 thread 0 bound to OS proc set {165}
OMP: pid 281830 tid 281830 thread 0 bound to OS proc set {99}
OMP: pid 281964 tid 281964 thread 0 bound to OS proc set {338}
OMP: pid 281807 tid 281807 thread 0 bound to OS proc set {9}
OMP: pid 281825 tid 281825 thread 0 bound to OS proc set {425}
OMP: pid 281978 tid 281978 thread 0 bound to OS proc set {395}
OMP: pid 281925 tid 281925 thread 0 bound to OS proc set {380}
OMP: pid 281951 tid 281951 thread 0 bound to OS proc set {24}
OMP: pid 281823 tid 281823 thread 0 bound to OS proc set {455}
OMP: pid 281850 tid 281850 thread 0 bound to OS proc set {189}
OMP: pid 281959 tid 281959 thread 0 bound to OS proc set {6}
OMP: pid 281932 tid 281932 thread 0 bound to OS proc set {48}
OMP: pid 281944 tid 281944 thread 0 bound to OS proc set {365}
OMP: pid 281812 tid 281812 thread 0 bound to OS proc set {36}
OMP: pid 281899 tid 281899 thread 0 bound to OS proc set {413}
OMP: pid 281926 tid 281926 thread 0 bound to OS proc set {443}
OMP: pid 281904 tid 281904 thread 0 bound to OS proc set {33}
OMP: pid 281909 tid 281909 thread 0 bound to OS proc set {87}
OMP: pid 281843 tid 281843 thread 0 bound to OS proc set {410}
OMP: pid 281948 tid 281948 thread 0 bound to OS proc set {461}
OMP: pid 281927 tid 281927 thread 0 bound to OS proc set {356}
OMP: pid 281891 tid 281891 thread 0 bound to OS proc set {407}
OMP: pid 281856 tid 281856 thread 0 bound to OS proc set {81}
OMP: pid 281893 tid 281893 thread 0 bound to OS proc set {66}
OMP: pid 281947 tid 281947 thread 0 bound to OS proc set {416}
OMP: pid 281914 tid 281914 thread 0 bound to OS proc set {458}
OMP: pid 281859 tid 281859 thread 0 bound to OS proc set {249}
OMP: pid 281898 tid 281898 thread 0 bound to OS proc set {96}
OMP: pid 281938 tid 281938 thread 0 bound to OS proc set {42}
OMP: pid 281919 tid 281919 thread 0 bound to OS proc set {117}
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 = 0.072 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 78.18 | 79.42 | 80.99 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 2.14104 on 168 procs for 10 steps with 32768000 atoms
Performance: 2.018 ns/day, 11.895 hours/ns, 4.671 timesteps/s, 153.047 Matom-step/s
85.9% CPU use with 168 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.444 | 1.5407 | 1.7281 | 3.1 | 71.96
Neigh | 0.19634 | 0.21039 | 0.23105 | 1.0 | 9.83
Comm | 0.094042 | 0.26499 | 0.40383 | 9.1 | 12.38
Output | 0.016531 | 0.018512 | 0.02168 | 1.2 | 0.86
Modify | 0.035128 | 0.049358 | 0.060668 | 2.8 | 2.31
Other | | 0.05706 | | | 2.67
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 7.44752e+06 max 7.25865e+06 min
Histogram: 24 7 33 2 30 24 16 15 1 16
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 78.2 | 79.51 | 80.99 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 120.684 on 168 procs for 500 steps with 32768000 atoms
Performance: 1.790 ns/day, 13.409 hours/ns, 4.143 timesteps/s, 135.759 Matom-step/s
98.8% CPU use with 168 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 86.894 | 89.543 | 96.466 | 13.4 | 74.20
Neigh | 17.867 | 18.866 | 20.48 | 9.7 | 15.63
Comm | 1.5512 | 7.9038 | 12.236 | 67.2 | 6.55
Output | 0.018003 | 0.025493 | 0.032787 | 2.3 | 0.02
Modify | 1.18 | 2.1457 | 2.8939 | 35.2 | 1.78
Other | | 2.201 | | | 1.82
Nlocal: 195048 ave 197193 max 192438 min
Histogram: 9 14 4 14 24 39 13 20 10 21
Nghost: 60195.2 ave 62301 max 58585 min
Histogram: 19 24 7 25 19 16 31 22 3 2
Neighs: 7.36248e+06 ave 7.48106e+06 max 7.26244e+06 min
Histogram: 13 12 30 14 29 24 14 16 7 9
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:05
[MAQAO] Info: 17/168 lprof instances finished
[MAQAO] Info: 18/168 lprof instances finished
[MAQAO] Info: 19/168 lprof instances finished
[MAQAO] Info: 33/168 lprof instances finished
[MAQAO] Info: 34/168 lprof instances finished
[MAQAO] Info: 35/168 lprof instances finished
[MAQAO] Info: 53/168 lprof instances finished
[MAQAO] Info: 54/168 lprof instances finished
[MAQAO] Info: 58/168 lprof instances finished
[MAQAO] Info: 59/168 lprof instances finished
[MAQAO] Info: 63/168 lprof instances finished
[MAQAO] Info: 64/168 lprof instances finished
[MAQAO] Info: 68/168 lprof instances finished
[MAQAO] Info: 69/168 lprof instances finished
[MAQAO] Info: 77/168 lprof instances finished
[MAQAO] Info: 89/168 lprof instances finished
[MAQAO] Info: 138/168 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_5 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 192 Lprof instances in isix03.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 285534 isix03.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 285660 isix03.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 285615 isix03.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 285562 isix03.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 285553 isix03.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 285685 isix03.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 285704 isix03.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 285691 isix03.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 285627 isix03.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 285638 isix03.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 285648 isix03.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 285532 isix03.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 285709 isix03.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 285705 isix03.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 285624 isix03.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 285647 isix03.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 285700 isix03.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 285637 isix03.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 285542 isix03.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 285563 isix03.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 285626 isix03.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 285568 isix03.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 285623 isix03.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 285620 isix03.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 285631 isix03.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 285668 isix03.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 285522 isix03.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 285658 isix03.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 285608 isix03.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 285619 isix03.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 285715 isix03.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 285654 isix03.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 285644 isix03.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 285634 isix03.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 285556 isix03.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 285536 isix03.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 285559 isix03.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 285686 isix03.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 285655 isix03.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 285661 isix03.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 285708 isix03.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 285586 isix03.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 285552 isix03.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 285544 isix03.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 285630 isix03.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 285576 isix03.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 285683 isix03.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 285663 isix03.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 285697 isix03.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 285566 isix03.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 285558 isix03.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 285589 isix03.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 285526 isix03.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 285706 isix03.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 285537 isix03.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 285618 isix03.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 285701 isix03.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 285521 isix03.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 285617 isix03.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 285570 isix03.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 285529 isix03.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 285569 isix03.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 285557 isix03.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 285635 isix03.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 285535 isix03.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 285682 isix03.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 285633 isix03.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 285657 isix03.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 285583 isix03.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 285541 isix03.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 285695 isix03.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 285587 isix03.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 285622 isix03.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 285540 isix03.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 285575 isix03.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 285571 isix03.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 285696 isix03.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 285662 isix03.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 285572 isix03.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 285560 isix03.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 285681 isix03.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 285688 isix03.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 285689 isix03.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 285554 isix03.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 285582 isix03.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 285548 isix03.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 285665 isix03.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 285578 isix03.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 285590 isix03.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 285710 isix03.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 285600 isix03.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 285545 isix03.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 285592 isix03.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 285564 isix03.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 285604 isix03.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 285585 isix03.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 285611 isix03.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 285555 isix03.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 285594 isix03.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 285605 isix03.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 285567 isix03.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 285699 isix03.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 285625 isix03.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 285670 isix03.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 285573 isix03.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 285711 isix03.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 285527 isix03.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 285551 isix03.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 285591 isix03.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 285707 isix03.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 285543 isix03.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 285694 isix03.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 285716 isix03.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 285702 isix03.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 285703 isix03.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 285714 isix03.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 285561 isix03.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 285628 isix03.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 285693 isix03.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 285666 isix03.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 285642 isix03.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 285601 isix03.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 285528 isix03.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 285581 isix03.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 285577 isix03.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 285671 isix03.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 285678 isix03.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 285690 isix03.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 285698 isix03.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 285593 isix03.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 285599 isix03.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 285614 isix03.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 285673 isix03.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 285525 isix03.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 285613 isix03.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 285649 isix03.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 285713 isix03.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 285656 isix03.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 285652 isix03.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 285602 isix03.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 285610 isix03.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 285595 isix03.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 285596 isix03.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 285641 isix03.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 285679 isix03.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 285621 isix03.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 285598 isix03.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 285579 isix03.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 285603 isix03.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 285659 isix03.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 285674 isix03.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 285687 isix03.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 285533 isix03.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 285650 isix03.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 285669 isix03.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 285607 isix03.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 285584 isix03.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 285677 isix03.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 285664 isix03.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 285588 isix03.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 285651 isix03.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 285580 isix03.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 285629 isix03.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 285712 isix03.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 285550 isix03.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 285640 isix03.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 285530 isix03.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 285547 isix03.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 285549 isix03.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 285597 isix03.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 285653 isix03.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 285646 isix03.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 285565 isix03.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 285538 isix03.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 285692 isix03.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 285632 isix03.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 285680 isix03.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 285616 isix03.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 285612 isix03.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 285676 isix03.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 285667 isix03.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 285609 isix03.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 285523 isix03.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 285636 isix03.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 285546 isix03.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 285675 isix03.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 285531 isix03.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 285643 isix03.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 285645 isix03.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 285639 isix03.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 285684 isix03.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 285672 isix03.benchmarkcenter.megware.com {191,447}
OMP: pid 285686 tid 285686 thread 0 bound to OS proc set {37}
OMP: pid 285698 tid 285698 thread 0 bound to OS proc set {128}
OMP: pid 285566 tid 285566 thread 0 bound to OS proc set {49}
OMP: pid 285635 tid 285635 thread 0 bound to OS proc set {63}
OMP: pid 285592 tid 285592 thread 0 bound to OS proc set {92}
OMP: pid 285595 tid 285595 thread 0 bound to OS proc set {141}
OMP: pid 285559 tid 285559 thread 0 bound to OS proc set {36}
OMP: pid 285707 tid 285707 thread 0 bound to OS proc set {109}
OMP: pid 285688 tid 285688 thread 0 bound to OS proc set {81}
OMP: pid 285661 tid 285661 thread 0 bound to OS proc set {39}
OMP: pid 285586 tid 285586 thread 0 bound to OS proc set {41}
OMP: pid 285715 tid 285715 thread 0 bound to OS proc set {30}
OMP: pid 285695 tid 285695 thread 0 bound to OS proc set {70}
OMP: pid 285678 tid 285678 thread 0 bound to OS proc set {126}
OMP: pid 285603 tid 285603 thread 0 bound to OS proc set {148}
OMP: pid 285713 tid 285713 thread 0 bound to OS proc set {136}
OMP: pid 285646 tid 285646 thread 0 bound to OS proc set {171}
OMP: pid 285580 tid 285580 thread 0 bound to OS proc set {161}
OMP: pid 285701 tid 285701 thread 0 bound to OS proc set {56}
OMP: pid 285668 tid 285668 thread 0 bound to OS proc set {25}
OMP: pid 285618 tid 285618 thread 0 bound to OS proc set {55}
OMP: pid 285699 tid 285699 thread 0 bound to OS proc set {101}
OMP: pid 285564 tid 285564 thread 0 bound to OS proc set {93}
OMP: pid 285602 tid 285602 thread 0 bound to OS proc set {139}
OMP: pid 285549 tid 285549 thread 0 bound to OS proc set {168}
OMP: pid 285597 tid 285597 thread 0 bound to OS proc set {169}
OMP: pid 285620 tid 285620 thread 0 bound to OS proc set {23}
OMP: pid 285598 tid 285598 thread 0 bound to OS proc set {146}
OMP: pid 285691 tid 285691 thread 0 bound to OS proc set {7}
OMP: pid 285637 tid 285637 thread 0 bound to OS proc set {17}
OMP: pid 285573 tid 285573 thread 0 bound to OS proc set {104}
OMP: pid 285557 tid 285557 thread 0 bound to OS proc set {62}
OMP: pid 285583 tid 285583 thread 0 bound to OS proc set {68}
OMP: pid 285612 tid 285612 thread 0 bound to OS proc set {178}
OMP: pid 285572 tid 285572 thread 0 bound to OS proc set {78}
OMP: pid 285545 tid 285545 thread 0 bound to OS proc set {91}
OMP: pid 285563 tid 285563 thread 0 bound to OS proc set {19}
OMP: pid 285664 tid 285664 thread 0 bound to OS proc set {158}
OMP: pid 285577 tid 285577 thread 0 bound to OS proc set {124}
OMP: pid 285575 tid 285575 thread 0 bound to OS proc set {74}
OMP: pid 285543 tid 285543 thread 0 bound to OS proc set {110}
OMP: pid 285587 tid 285587 thread 0 bound to OS proc set {71}
OMP: pid 285560 tid 285560 thread 0 bound to OS proc set {79}
OMP: pid 285599 tid 285599 thread 0 bound to OS proc set {130}
OMP: pid 285547 tid 285547 thread 0 bound to OS proc set {167}
OMP: pid 285684 tid 285684 thread 0 bound to OS proc set {190}
OMP: pid 285588 tid 285588 thread 0 bound to OS proc set {159}
OMP: pid 285643 tid 285643 thread 0 bound to OS proc set {187}
OMP: pid 285555 tid 285555 thread 0 bound to OS proc set {97}
OMP: pid 285667 tid 285667 thread 0 bound to OS proc set {180}
OMP: pid 285619 tid 285619 thread 0 bound to OS proc set {29}
OMP: pid 285533 tid 285533 thread 0 bound to OS proc set {152}
OMP: pid 285571 tid 285571 thread 0 bound to OS proc set {75}
OMP: pid 285671 tid 285671 thread 0 bound to OS proc set {125}
OMP: pid 285712 tid 285712 thread 0 bound to OS proc set {163}
OMP: pid 285675 tid 285675 thread 0 bound to OS proc set {185}
OMP: pid 285634 tid 285634 thread 0 bound to OS proc set {33}
OMP: pid 285540 tid 285540 thread 0 bound to OS proc set {73}
OMP: pid 285655 tid 285655 thread 0 bound to OS proc set {38}
OMP: pid 285710 tid 285710 thread 0 bound to OS proc set {89}
OMP: pid 285683 tid 285683 thread 0 bound to OS proc set {46}
OMP: pid 285535 tid 285535 thread 0 bound to OS proc set {64}
OMP: pid 285530 tid 285530 thread 0 bound to OS proc set {166}
OMP: pid 285531 tid 285531 thread 0 bound to OS proc set {186}
OMP: pid 285551 tid 285551 thread 0 bound to OS proc set {107}
OMP: pid 285702 tid 285702 thread 0 bound to OS proc set {113}
OMP: pid 285522 tid 285522 thread 0 bound to OS proc set {26}
OMP: pid 285534 tid 285534 thread 0 bound to OS proc set {0}
OMP: pid 285666 tid 285666 thread 0 bound to OS proc set {119}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 285616 tid 285616 thread 0 bound to OS proc set {177}
OMP: pid 285596 tid 285596 thread 0 bound to OS proc set {142}
OMP: pid 285561 tid 285561 thread 0 bound to OS proc set {116}
OMP: pid 285662 tid 285662 thread 0 bound to OS proc set {77}
OMP: pid 285660 tid 285660 thread 0 bound to OS proc set {1}
OMP: pid 285579 tid 285579 thread 0 bound to OS proc set {147}
OMP: pid 285639 tid 285639 thread 0 bound to OS proc set {189}
OMP: pid 285665 tid 285665 thread 0 bound to OS proc set {86}
OMP: pid 285569 tid 285569 thread 0 bound to OS proc set {61}
OMP: pid 285638 tid 285638 thread 0 bound to OS proc set {9}
OMP: pid 285641 tid 285641 thread 0 bound to OS proc set {143}
OMP: pid 285550 tid 285550 thread 0 bound to OS proc set {164}
OMP: pid 285696 tid 285696 thread 0 bound to OS proc set {76}
OMP: pid 285615 tid 285615 thread 0 bound to OS proc set {2}
OMP: pid 285649 tid 285649 thread 0 bound to OS proc set {135}
OMP: pid 285546 tid 285546 thread 0 bound to OS proc set {184}
OMP: pid 285521 tid 285521 thread 0 bound to OS proc set {57}
OMP: pid 285623 tid 285623 thread 0 bound to OS proc set {22}
OMP: pid 285621 tid 285621 thread 0 bound to OS proc set {145}
OMP: pid 285676 tid 285676 thread 0 bound to OS proc set {179}
OMP: pid 285669 tid 285669 thread 0 bound to OS proc set {154}
OMP: pid 285582 tid 285582 thread 0 bound to OS proc set {84}
OMP: pid 285529 tid 285529 thread 0 bound to OS proc set {60}
OMP: pid 285692 tid 285692 thread 0 bound to OS proc set {174}
OMP: pid 285674 tid 285674 thread 0 bound to OS proc set {150}
OMP: pid 285690 tid 285690 thread 0 bound to OS proc set {127}
OMP: pid 285610 tid 285610 thread 0 bound to OS proc set {140}
OMP: pid 285578 tid 285578 thread 0 bound to OS proc set {87}
OMP: pid 285552 tid 285552 thread 0 bound to OS proc set {42}
OMP: pid 285653 tid 285653 thread 0 bound to OS proc set {170}
OMP: pid 285663 tid 285663 thread 0 bound to OS proc set {47}
OMP: pid 285593 tid 285593 thread 0 bound to OS proc set {129}
OMP: pid 285636 tid 285636 thread 0 bound to OS proc set {183}
OMP: pid 285694 tid 285694 thread 0 bound to OS proc set {111}
OMP: pid 285523 tid 285523 thread 0 bound to OS proc set {182}
OMP: pid 285556 tid 285556 thread 0 bound to OS proc set {34}
OMP: pid 285687 tid 285687 thread 0 bound to OS proc set {151}
OMP: pid 285581 tid 285581 thread 0 bound to OS proc set {123}
OMP: pid 285673 tid 285673 thread 0 bound to OS proc set {132}
OMP: pid 285651 tid 285651 thread 0 bound to OS proc set {160}
OMP: pid 285532 tid 285532 thread 0 bound to OS proc set {11}
OMP: pid 285585 tid 285585 thread 0 bound to OS proc set {95}
OMP: pid 285709 tid 285709 thread 0 bound to OS proc set {12}
OMP: pid 285657 tid 285657 thread 0 bound to OS proc set {67}
OMP: pid 285628 tid 285628 thread 0 bound to OS proc set {117}
OMP: pid 285570 tid 285570 thread 0 bound to OS proc set {59}
OMP: pid 285601 tid 285601 thread 0 bound to OS proc set {121}
OMP: pid 285605 tid 285605 thread 0 bound to OS proc set {99}
OMP: pid 285642 tid 285642 thread 0 bound to OS proc set {120}
OMP: pid 285631 tid 285631 thread 0 bound to OS proc set {24}
OMP: pid 285554 tid 285554 thread 0 bound to OS proc set {83}
OMP: pid 285632 tid 285632 thread 0 bound to OS proc set {175}
OMP: pid 285584 tid 285584 thread 0 bound to OS proc set {156}
OMP: pid 285536 tid 285536 thread 0 bound to OS proc set {35}
OMP: pid 285703 tid 285703 thread 0 bound to OS proc set {114}
OMP: pid 285537 tid 285537 thread 0 bound to OS proc set {54}
OMP: pid 285680 tid 285680 thread 0 bound to OS proc set {176}
OMP: pid 285682 tid 285682 thread 0 bound to OS proc set {65}
OMP: pid 285609 tid 285609 thread 0 bound to OS proc set {181}
OMP: pid 285659 tid 285659 thread 0 bound to OS proc set {149}
OMP: pid 285538 tid 285538 thread 0 bound to OS proc set {173}
OMP: pid 285590 tid 285590 thread 0 bound to OS proc set {88}
OMP: pid 285617 tid 285617 thread 0 bound to OS proc set {58}
OMP: pid 285630 tid 285630 thread 0 bound to OS proc set {44}
OMP: pid 285576 tid 285576 thread 0 bound to OS proc set {45}
OMP: pid 285656 tid 285656 thread 0 bound to OS proc set {137}
OMP: pid 285567 tid 285567 thread 0 bound to OS proc set {100}
OMP: pid 285708 tid 285708 thread 0 bound to OS proc set {40}
OMP: pid 285711 tid 285711 thread 0 bound to OS proc set {105}
OMP: pid 285633 tid 285633 thread 0 bound to OS proc set {66}
OMP: pid 285568 tid 285568 thread 0 bound to OS proc set {21}
OMP: pid 285645 tid 285645 thread 0 bound to OS proc set {188}
OMP: pid 285548 tid 285548 thread 0 bound to OS proc set {85}
OMP: pid 285622 tid 285622 thread 0 bound to OS proc set {72}
OMP: pid 285594 tid 285594 thread 0 bound to OS proc set {98}
OMP: pid 285693 tid 285693 thread 0 bound to OS proc set {118}
OMP: pid 285652 tid 285652 thread 0 bound to OS proc set {138}
OMP: pid 285542 tid 285542 thread 0 bound to OS proc set {18}
OMP: pid 285714 tid 285714 thread 0 bound to OS proc set {115}
OMP: pid 285685 tid 285685 thread 0 bound to OS proc set {5}
OMP: pid 285611 tid 285611 thread 0 bound to OS proc set {96}
OMP: pid 285541 tid 285541 thread 0 bound to OS proc set {69}
OMP: pid 285525 tid 285525 thread 0 bound to OS proc set {133}
OMP: pid 285704 tid 285704 thread 0 bound to OS proc set {6}
OMP: pid 285706 tid 285706 thread 0 bound to OS proc set {53}
OMP: pid 285672 tid 285672 thread 0 bound to OS proc set {191}
OMP: pid 285670 tid 285670 thread 0 bound to OS proc set {103}
OMP: pid 285544 tid 285544 thread 0 bound to OS proc set {43}
OMP: pid 285558 tid 285558 thread 0 bound to OS proc set {50}
OMP: pid 285629 tid 285629 thread 0 bound to OS proc set {162}
OMP: pid 285640 tid 285640 thread 0 bound to OS proc set {165}
OMP: pid 285528 tid 285528 thread 0 bound to OS proc set {122}
OMP: pid 285613 tid 285613 thread 0 bound to OS proc set {134}
OMP: pid 285591 tid 285591 thread 0 bound to OS proc set {108}
OMP: pid 285700 tid 285700 thread 0 bound to OS proc set {16}
OMP: pid 285679 tid 285679 thread 0 bound to OS proc set {144}
OMP: pid 285650 tid 285650 thread 0 bound to OS proc set {153}
OMP: pid 285565 tid 285565 thread 0 bound to OS proc set {172}
OMP: pid 285705 tid 285705 thread 0 bound to OS proc set {13}
OMP: pid 285658 tid 285658 thread 0 bound to OS proc set {27}
OMP: pid 285600 tid 285600 thread 0 bound to OS proc set {90}
OMP: pid 285625 tid 285625 thread 0 bound to OS proc set {102}
OMP: pid 285626 tid 285626 thread 0 bound to OS proc set {20}
OMP: pid 285681 tid 285681 thread 0 bound to OS proc set {80}
OMP: pid 285614 tid 285614 thread 0 bound to OS proc set {131}
OMP: pid 285627 tid 285627 thread 0 bound to OS proc set {8}
OMP: pid 285589 tid 285589 thread 0 bound to OS proc set {51}
OMP: pid 285526 tid 285526 thread 0 bound to OS proc set {52}
OMP: pid 285604 tid 285604 thread 0 bound to OS proc set {94}
OMP: pid 285607 tid 285607 thread 0 bound to OS proc set {155}
OMP: pid 285677 tid 285677 thread 0 bound to OS proc set {157}
OMP: pid 285624 tid 285624 thread 0 bound to OS proc set {14}
OMP: pid 285562 tid 285562 thread 0 bound to OS proc set {3}
OMP: pid 285553 tid 285553 thread 0 bound to OS proc set {4}
OMP: pid 285647 tid 285647 thread 0 bound to OS proc set {15}
OMP: pid 285608 tid 285608 thread 0 bound to OS proc set {28}
OMP: pid 285654 tid 285654 thread 0 bound to OS proc set {31}
OMP: pid 285644 tid 285644 thread 0 bound to OS proc set {32}
OMP: pid 285697 tid 285697 thread 0 bound to OS proc set {48}
OMP: pid 285716 tid 285716 thread 0 bound to OS proc set {112}
OMP: pid 285648 tid 285648 thread 0 bound to OS proc set {10}
OMP: pid 285689 tid 285689 thread 0 bound to OS proc set {82}
OMP: pid 285527 tid 285527 thread 0 bound to OS proc set {106}
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 = 0.031 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 68.4 | 69.61 | 70.89 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 1.90075 on 192 procs for 10 steps with 32768000 atoms
Performance: 2.273 ns/day, 10.560 hours/ns, 5.261 timesteps/s, 172.395 Matom-step/s
88.0% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.2837 | 1.3679 | 1.4507 | 3.2 | 71.97
Neigh | 0.17649 | 0.20716 | 0.21547 | 2.2 | 10.90
Comm | 0.099651 | 0.18158 | 0.31369 | 11.2 | 9.55
Output | 0.012654 | 0.014249 | 0.019573 | 0.9 | 0.75
Modify | 0.044178 | 0.068831 | 0.08189 | 3.4 | 3.62
Other | | 0.06099 | | | 3.21
Nlocal: 170667 ave 171308 max 169512 min
Histogram: 64 0 0 0 0 0 0 0 13 115
Nghost: 55997.1 ave 56418 max 55762 min
Histogram: 27 61 32 8 0 4 15 27 13 5
Neighs: 6.42419e+06 ave 6.47799e+06 max 6.37962e+06 min
Histogram: 64 0 1 56 7 0 0 0 2 62
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 68.74 | 69.77 | 70.91 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 119.455 on 192 procs for 500 steps with 32768000 atoms
Performance: 1.808 ns/day, 13.273 hours/ns, 4.186 timesteps/s, 137.156 Matom-step/s
98.6% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 85.927 | 90.866 | 92.498 | 15.7 | 76.07
Neigh | 15.924 | 19.695 | 20.758 | 30.5 | 16.49
Comm | 1.964 | 4.7233 | 14.583 | 143.5 | 3.95
Output | 0.018275 | 0.022366 | 0.037488 | 3.2 | 0.02
Modify | 1.3781 | 3.182 | 3.7009 | 34.4 | 2.66
Other | | 0.966 | | | 0.81
Nlocal: 170667 ave 171683 max 169136 min
Histogram: 6 31 24 3 0 0 10 43 59 16
Nghost: 55896.7 ave 56658 max 55273 min
Histogram: 5 9 23 43 36 39 24 7 4 2
Neighs: 6.44217e+06 ave 6.50586e+06 max 6.38063e+06 min
Histogram: 8 36 22 19 34 9 0 10 26 28
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:03
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_6 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 216 Lprof instances in isix03.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 290503 isix03.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 290712 isix03.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 290624 isix03.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 290685 isix03.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 290686 isix03.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 290682 isix03.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 290668 isix03.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 290522 isix03.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 290526 isix03.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 290499 isix03.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 290698 isix03.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 290670 isix03.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 290692 isix03.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 290523 isix03.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 290513 isix03.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 290507 isix03.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 290659 isix03.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 290604 isix03.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 290519 isix03.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 290566 isix03.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 290540 isix03.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 290667 isix03.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 290649 isix03.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 290598 isix03.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 290521 isix03.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 290625 isix03.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 290641 isix03.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 290637 isix03.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 290699 isix03.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 290551 isix03.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 290693 isix03.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 290555 isix03.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 290642 isix03.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 290680 isix03.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 290576 isix03.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 290542 isix03.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 290546 isix03.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 290709 isix03.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 290655 isix03.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 290543 isix03.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 290553 isix03.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 290665 isix03.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 290575 isix03.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 290591 isix03.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 290565 isix03.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 290657 isix03.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 290626 isix03.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 290593 isix03.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 290706 isix03.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 290691 isix03.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 290638 isix03.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 290502 isix03.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 290608 isix03.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 290583 isix03.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 290605 isix03.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 290700 isix03.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 290718 isix03.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 290501 isix03.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 290664 isix03.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 290570 isix03.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 290697 isix03.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 290571 isix03.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 290631 isix03.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 290701 isix03.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 290581 isix03.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 290634 isix03.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 290640 isix03.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 290564 isix03.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 290660 isix03.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 290623 isix03.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 290578 isix03.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 290639 isix03.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 290559 isix03.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 290615 isix03.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 290635 isix03.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 290548 isix03.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 290633 isix03.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 290614 isix03.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 290547 isix03.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 290586 isix03.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 290629 isix03.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 290610 isix03.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 290646 isix03.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 290622 isix03.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 290505 isix03.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 290705 isix03.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 290618 isix03.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 290611 isix03.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 290529 isix03.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 290589 isix03.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 290677 isix03.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 290518 isix03.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 290632 isix03.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 290654 isix03.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 290676 isix03.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 290563 isix03.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 290643 isix03.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 290645 isix03.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 290708 isix03.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 290683 isix03.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 290672 isix03.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 290612 isix03.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 290617 isix03.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 290567 isix03.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 290568 isix03.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 290602 isix03.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 290592 isix03.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 290537 isix03.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 290587 isix03.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 290590 isix03.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 290584 isix03.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 290577 isix03.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 290597 isix03.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 290539 isix03.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 290681 isix03.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 290666 isix03.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 290707 isix03.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 290621 isix03.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 290533 isix03.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 290620 isix03.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 290596 isix03.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 290630 isix03.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 290636 isix03.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 290661 isix03.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 290656 isix03.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 290619 isix03.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 290688 isix03.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 290644 isix03.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 290516 isix03.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 290558 isix03.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 290679 isix03.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 290595 isix03.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 290582 isix03.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 290673 isix03.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 290662 isix03.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 290717 isix03.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 290550 isix03.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 290552 isix03.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 290569 isix03.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 290525 isix03.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 290663 isix03.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 290689 isix03.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 290607 isix03.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 290616 isix03.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 290710 isix03.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 290651 isix03.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 290696 isix03.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 290671 isix03.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 290652 isix03.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 290520 isix03.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 290613 isix03.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 290557 isix03.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 290713 isix03.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 290694 isix03.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 290702 isix03.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 290579 isix03.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 290535 isix03.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 290690 isix03.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 290527 isix03.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 290560 isix03.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 290684 isix03.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 290530 isix03.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 290545 isix03.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 290588 isix03.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 290606 isix03.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 290534 isix03.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 290715 isix03.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 290511 isix03.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 290517 isix03.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 290674 isix03.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 290648 isix03.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 290528 isix03.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 290603 isix03.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 290538 isix03.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 290714 isix03.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 290510 isix03.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 290580 isix03.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 290572 isix03.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 290549 isix03.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 290658 isix03.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 290653 isix03.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 290687 isix03.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 290531 isix03.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 290601 isix03.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 290703 isix03.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 290508 isix03.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 290628 isix03.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 290678 isix03.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 290573 isix03.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 290554 isix03.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 290599 isix03.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 290541 isix03.benchmarkcenter.megware.com {191,447}
[0] MPI startup(): 192 290536 isix03.benchmarkcenter.megware.com {192,448}
[0] MPI startup(): 193 290504 isix03.benchmarkcenter.megware.com {193,449}
[0] MPI startup(): 194 290574 isix03.benchmarkcenter.megware.com {194,450}
[0] MPI startup(): 195 290627 isix03.benchmarkcenter.megware.com {195,451}
[0] MPI startup(): 196 290716 isix03.benchmarkcenter.megware.com {196,452}
[0] MPI startup(): 197 290600 isix03.benchmarkcenter.megware.com {197,453}
[0] MPI startup(): 198 290650 isix03.benchmarkcenter.megware.com {198,454}
[0] MPI startup(): 199 290532 isix03.benchmarkcenter.megware.com {199,455}
[0] MPI startup(): 200 290562 isix03.benchmarkcenter.megware.com {200,456}
[0] MPI startup(): 201 290669 isix03.benchmarkcenter.megware.com {201,457}
[0] MPI startup(): 202 290719 isix03.benchmarkcenter.megware.com {202,458}
[0] MPI startup(): 203 290514 isix03.benchmarkcenter.megware.com {203,459}
[0] MPI startup(): 204 290585 isix03.benchmarkcenter.megware.com {204,460}
[0] MPI startup(): 205 290609 isix03.benchmarkcenter.megware.com {205,461}
[0] MPI startup(): 206 290675 isix03.benchmarkcenter.megware.com {206,462}
[0] MPI startup(): 207 290556 isix03.benchmarkcenter.megware.com {207,463}
[0] MPI startup(): 208 290515 isix03.benchmarkcenter.megware.com {208,464}
[0] MPI startup(): 209 290509 isix03.benchmarkcenter.megware.com {209,465}
[0] MPI startup(): 210 290647 isix03.benchmarkcenter.megware.com {210,466}
[0] MPI startup(): 211 290711 isix03.benchmarkcenter.megware.com {211,467}
[0] MPI startup(): 212 290704 isix03.benchmarkcenter.megware.com {212,468}
[0] MPI startup(): 213 290544 isix03.benchmarkcenter.megware.com {213,469}
[0] MPI startup(): 214 290506 isix03.benchmarkcenter.megware.com {214,470}
[0] MPI startup(): 215 290500 isix03.benchmarkcenter.megware.com {215,471}
OMP: pid 290510 tid 290510 thread 0 bound to OS proc set {175}
OMP: pid 290574 tid 290574 thread 0 bound to OS proc set {194}
OMP: pid 290648 tid 290648 thread 0 bound to OS proc set {170}
OMP: pid 290616 tid 290616 thread 0 bound to OS proc set {143}
OMP: pid 290520 tid 290520 thread 0 bound to OS proc set {149}
OMP: pid 290661 tid 290661 thread 0 bound to OS proc set {123}
OMP: pid 290517 tid 290517 thread 0 bound to OS proc set {168}
OMP: pid 290674 tid 290674 thread 0 bound to OS proc set {169}
OMP: pid 290500 tid 290500 thread 0 bound to OS proc set {215}
OMP: pid 290566 tid 290566 thread 0 bound to OS proc set {19}
OMP: pid 290507 tid 290507 thread 0 bound to OS proc set {15}
OMP: pid 290660 tid 290660 thread 0 bound to OS proc set {68}
OMP: pid 290600 tid 290600 thread 0 bound to OS proc set {197}
OMP: pid 290528 tid 290528 thread 0 bound to OS proc set {171}
OMP: pid 290584 tid 290584 thread 0 bound to OS proc set {110}
OMP: pid 290612 tid 290612 thread 0 bound to OS proc set {101}
OMP: pid 290694 tid 290694 thread 0 bound to OS proc set {153}
OMP: pid 290650 tid 290650 thread 0 bound to OS proc set {198}
OMP: pid 290508 tid 290508 thread 0 bound to OS proc set {185}
OMP: pid 290670 tid 290670 thread 0 bound to OS proc set {11}
OMP: pid 290506 tid 290506 thread 0 bound to OS proc set {214}
OMP: pid 290645 tid 290645 thread 0 bound to OS proc set {97}
OMP: pid 290619 tid 290619 thread 0 bound to OS proc set {125}
OMP: pid 290696 tid 290696 thread 0 bound to OS proc set {146}
OMP: pid 290611 tid 290611 thread 0 bound to OS proc set {87}
OMP: pid 290644 tid 290644 thread 0 bound to OS proc set {127}
OMP: pid 290569 tid 290569 thread 0 bound to OS proc set {138}
OMP: pid 290549 tid 290549 thread 0 bound to OS proc set {178}
OMP: pid 290717 tid 290717 thread 0 bound to OS proc set {135}
OMP: pid 290684 tid 290684 thread 0 bound to OS proc set {160}
OMP: pid 290516 tid 290516 thread 0 bound to OS proc set {128}
OMP: pid 290499 tid 290499 thread 0 bound to OS proc set {9}
OMP: pid 290658 tid 290658 thread 0 bound to OS proc set {179}
OMP: pid 290613 tid 290613 thread 0 bound to OS proc set {150}
OMP: pid 290552 tid 290552 thread 0 bound to OS proc set {137}
OMP: pid 290504 tid 290504 thread 0 bound to OS proc set {193}
OMP: pid 290526 tid 290526 thread 0 bound to OS proc set {8}
OMP: pid 290601 tid 290601 thread 0 bound to OS proc set {183}
OMP: pid 290562 tid 290562 thread 0 bound to OS proc set {200}
OMP: pid 290505 tid 290505 thread 0 bound to OS proc set {84}
OMP: pid 290537 tid 290537 thread 0 bound to OS proc set {107}
OMP: pid 290718 tid 290718 thread 0 bound to OS proc set {56}
OMP: pid 290535 tid 290535 thread 0 bound to OS proc set {156}
OMP: pid 290666 tid 290666 thread 0 bound to OS proc set {115}
OMP: pid 290588 tid 290588 thread 0 bound to OS proc set {163}
OMP: pid 290654 tid 290654 thread 0 bound to OS proc set {93}
OMP: pid 290541 tid 290541 thread 0 bound to OS proc set {191}
OMP: pid 290627 tid 290627 thread 0 bound to OS proc set {195}
OMP: pid 290636 tid 290636 thread 0 bound to OS proc set {122}
OMP: pid 290716 tid 290716 thread 0 bound to OS proc set {196}
OMP: pid 290538 tid 290538 thread 0 bound to OS proc set {173}
OMP: pid 290544 tid 290544 thread 0 bound to OS proc set {213}
OMP: pid 290582 tid 290582 thread 0 bound to OS proc set {132}
OMP: pid 290608 tid 290608 thread 0 bound to OS proc set {52}
OMP: pid 290560 tid 290560 thread 0 bound to OS proc set {159}
OMP: pid 290542 tid 290542 thread 0 bound to OS proc set {35}
OMP: pid 290515 tid 290515 thread 0 bound to OS proc set {208}
OMP: pid 290662 tid 290662 thread 0 bound to OS proc set {134}
OMP: pid 290625 tid 290625 thread 0 bound to OS proc set {25}
OMP: pid 290655 tid 290655 thread 0 bound to OS proc set {38}
OMP: pid 290511 tid 290511 thread 0 bound to OS proc set {167}
OMP: pid 290606 tid 290606 thread 0 bound to OS proc set {164}
OMP: pid 290592 tid 290592 thread 0 bound to OS proc set {106}
OMP: pid 290577 tid 290577 thread 0 bound to OS proc set {111}
OMP: pid 290719 tid 290719 thread 0 bound to OS proc set {202}
OMP: pid 290703 tid 290703 thread 0 bound to OS proc set {184}
OMP: pid 290599 tid 290599 thread 0 bound to OS proc set {190}
OMP: pid 290707 tid 290707 thread 0 bound to OS proc set {116}
OMP: pid 290536 tid 290536 thread 0 bound to OS proc set {192}
OMP: pid 290596 tid 290596 thread 0 bound to OS proc set {120}
OMP: pid 290678 tid 290678 thread 0 bound to OS proc set {187}
OMP: pid 290546 tid 290546 thread 0 bound to OS proc set {36}
OMP: pid 290575 tid 290575 thread 0 bound to OS proc set {42}
OMP: pid 290709 tid 290709 thread 0 bound to OS proc set {37}
OMP: pid 290602 tid 290602 thread 0 bound to OS proc set {105}
OMP: pid 290686 tid 290686 thread 0 bound to OS proc set {4}
OMP: pid 290622 tid 290622 thread 0 bound to OS proc set {83}
OMP: pid 290715 tid 290715 thread 0 bound to OS proc set {166}
OMP: pid 290615 tid 290615 thread 0 bound to OS proc set {73}
OMP: pid 290672 tid 290672 thread 0 bound to OS proc set {100}
OMP: pid 290604 tid 290604 thread 0 bound to OS proc set {17}
OMP: pid 290641 tid 290641 thread 0 bound to OS proc set {26}
OMP: pid 290653 tid 290653 thread 0 bound to OS proc set {180}
OMP: pid 290595 tid 290595 thread 0 bound to OS proc set {131}
OMP: pid 290559 tid 290559 thread 0 bound to OS proc set {72}
OMP: pid 290637 tid 290637 thread 0 bound to OS proc set {27}
OMP: pid 290585 tid 290585 thread 0 bound to OS proc set {204}
OMP: pid 290664 tid 290664 thread 0 bound to OS proc set {58}
OMP: pid 290669 tid 290669 thread 0 bound to OS proc set {201}
OMP: pid 290623 tid 290623 thread 0 bound to OS proc set {69}
OMP: pid 290607 tid 290607 thread 0 bound to OS proc set {142}
OMP: pid 290548 tid 290548 thread 0 bound to OS proc set {75}
OMP: pid 290534 tid 290534 thread 0 bound to OS proc set {165}
OMP: pid 290667 tid 290667 thread 0 bound to OS proc set {21}
OMP: pid 290553 tid 290553 thread 0 bound to OS proc set {40}
OMP: pid 290689 tid 290689 thread 0 bound to OS proc set {141}
OMP: pid 290675 tid 290675 thread 0 bound to OS proc set {206}
OMP: pid 290564 tid 290564 thread 0 bound to OS proc set {67}
OMP: pid 290554 tid 290554 thread 0 bound to OS proc set {189}
OMP: pid 290571 tid 290571 thread 0 bound to OS proc set {61}
OMP: pid 290652 tid 290652 thread 0 bound to OS proc set {148}
OMP: pid 290531 tid 290531 thread 0 bound to OS proc set {182}
OMP: pid 290532 tid 290532 thread 0 bound to OS proc set {199}
OMP: pid 290558 tid 290558 thread 0 bound to OS proc set {129}
OMP: pid 290603 tid 290603 thread 0 bound to OS proc set {172}
OMP: pid 290572 tid 290572 thread 0 bound to OS proc set {177}
OMP: pid 290702 tid 290702 thread 0 bound to OS proc set {154}
OMP: pid 290590 tid 290590 thread 0 bound to OS proc set {109}
OMP: pid 290580 tid 290580 thread 0 bound to OS proc set {176}
OMP: pid 290651 tid 290651 thread 0 bound to OS proc set {145}
OMP: pid 290556 tid 290556 thread 0 bound to OS proc set {207}
OMP: pid 290620 tid 290620 thread 0 bound to OS proc set {119}
OMP: pid 290679 tid 290679 thread 0 bound to OS proc set {130}
OMP: pid 290589 tid 290589 thread 0 bound to OS proc set {89}
OMP: pid 290633 tid 290633 thread 0 bound to OS proc set {76}
OMP: pid 290626 tid 290626 thread 0 bound to OS proc set {46}
OMP: pid 290501 tid 290501 thread 0 bound to OS proc set {57}
OMP: pid 290557 tid 290557 thread 0 bound to OS proc set {151}
OMP: pid 290565 tid 290565 thread 0 bound to OS proc set {44}
OMP: pid 290555 tid 290555 thread 0 bound to OS proc set {31}
OMP: pid 290699 tid 290699 thread 0 bound to OS proc set {28}
OMP: pid 290638 tid 290638 thread 0 bound to OS proc set {50}
OMP: pid 290691 tid 290691 thread 0 bound to OS proc set {49}
OMP: pid 290629 tid 290629 thread 0 bound to OS proc set {80}
OMP: pid 290630 tid 290630 thread 0 bound to OS proc set {121}
OMP: pid 290711 tid 290711 thread 0 bound to OS proc set {211}
OMP: pid 290635 tid 290635 thread 0 bound to OS proc set {74}
OMP: pid 290628 tid 290628 thread 0 bound to OS proc set {186}
OMP: pid 290610 tid 290610 thread 0 bound to OS proc set {81}
OMP: pid 290700 tid 290700 thread 0 bound to OS proc set {55}
OMP: pid 290509 tid 290509 thread 0 bound to OS proc set {209}
OMP: pid 290533 tid 290533 thread 0 bound to OS proc set {118}
OMP: pid 290618 tid 290618 thread 0 bound to OS proc set {86}
OMP: pid 290710 tid 290710 thread 0 bound to OS proc set {144}
OMP: pid 290642 tid 290642 thread 0 bound to OS proc set {32}
OMP: pid 290518 tid 290518 thread 0 bound to OS proc set {91}
OMP: pid 290570 tid 290570 thread 0 bound to OS proc set {59}
OMP: pid 290693 tid 290693 thread 0 bound to OS proc set {30}
OMP: pid 290687 tid 290687 thread 0 bound to OS proc set {181}
OMP: pid 290587 tid 290587 thread 0 bound to OS proc set {108}
OMP: pid 290639 tid 290639 thread 0 bound to OS proc set {71}
OMP: pid 290659 tid 290659 thread 0 bound to OS proc set {16}
OMP: pid 290673 tid 290673 thread 0 bound to OS proc set {133}
OMP: pid 290705 tid 290705 thread 0 bound to OS proc set {85}
OMP: pid 290550 tid 290550 thread 0 bound to OS proc set {136}
OMP: pid 290503 tid 290503 thread 0 bound to OS proc set {0}
OMP: pid 290692 tid 290692 thread 0 bound to OS proc set {12}
OMP: pid 290704 tid 290704 thread 0 bound to OS proc set {212}
OMP: pid 290632 tid 290632 thread 0 bound to OS proc set {92}
OMP: pid 290514 tid 290514 thread 0 bound to OS proc set {203}
OMP: pid 290677 tid 290677 thread 0 bound to OS proc set {90}
OMP: pid 290657 tid 290657 thread 0 bound to OS proc set {45}
OMP: pid 290680 tid 290680 thread 0 bound to OS proc set {33}
LAMMPS (22 Jul 2025)
OMP: pid 290713 tid 290713 thread 0 bound to OS proc set {152}
using 1 OpenMP thread(s) per MPI task
OMP: pid 290634 tid 290634 thread 0 bound to OS proc set {65}
OMP: pid 290567 tid 290567 thread 0 bound to OS proc set {103}
OMP: pid 290579 tid 290579 thread 0 bound to OS proc set {155}
OMP: pid 290685 tid 290685 thread 0 bound to OS proc set {3}
OMP: pid 290523 tid 290523 thread 0 bound to OS proc set {13}
OMP: pid 290598 tid 290598 thread 0 bound to OS proc set {23}
OMP: pid 290581 tid 290581 thread 0 bound to OS proc set {64}
OMP: pid 290714 tid 290714 thread 0 bound to OS proc set {174}
OMP: pid 290525 tid 290525 thread 0 bound to OS proc set {139}
OMP: pid 290527 tid 290527 thread 0 bound to OS proc set {158}
OMP: pid 290647 tid 290647 thread 0 bound to OS proc set {210}
OMP: pid 290617 tid 290617 thread 0 bound to OS proc set {102}
OMP: pid 290697 tid 290697 thread 0 bound to OS proc set {60}
OMP: pid 290545 tid 290545 thread 0 bound to OS proc set {162}
OMP: pid 290547 tid 290547 thread 0 bound to OS proc set {78}
OMP: pid 290640 tid 290640 thread 0 bound to OS proc set {66}
OMP: pid 290712 tid 290712 thread 0 bound to OS proc set {1}
OMP: pid 290593 tid 290593 thread 0 bound to OS proc set {47}
OMP: pid 290706 tid 290706 thread 0 bound to OS proc set {48}
OMP: pid 290614 tid 290614 thread 0 bound to OS proc set {77}
OMP: pid 290563 tid 290563 thread 0 bound to OS proc set {95}
OMP: pid 290539 tid 290539 thread 0 bound to OS proc set {113}
OMP: pid 290583 tid 290583 thread 0 bound to OS proc set {53}
OMP: pid 290568 tid 290568 thread 0 bound to OS proc set {104}
OMP: pid 290671 tid 290671 thread 0 bound to OS proc set {147}
OMP: pid 290631 tid 290631 thread 0 bound to OS proc set {62}
OMP: pid 290609 tid 290609 thread 0 bound to OS proc set {205}
OMP: pid 290683 tid 290683 thread 0 bound to OS proc set {99}
OMP: pid 290624 tid 290624 thread 0 bound to OS proc set {2}
OMP: pid 290676 tid 290676 thread 0 bound to OS proc set {94}
OMP: pid 290663 tid 290663 thread 0 bound to OS proc set {140}
OMP: pid 290682 tid 290682 thread 0 bound to OS proc set {5}
OMP: pid 290576 tid 290576 thread 0 bound to OS proc set {34}
OMP: pid 290519 tid 290519 thread 0 bound to OS proc set {18}
OMP: pid 290690 tid 290690 thread 0 bound to OS proc set {157}
OMP: pid 290521 tid 290521 thread 0 bound to OS proc set {24}
OMP: pid 290578 tid 290578 thread 0 bound to OS proc set {70}
OMP: pid 290586 tid 290586 thread 0 bound to OS proc set {79}
OMP: pid 290688 tid 290688 thread 0 bound to OS proc set {126}
OMP: pid 290573 tid 290573 thread 0 bound to OS proc set {188}
OMP: pid 290665 tid 290665 thread 0 bound to OS proc set {41}
OMP: pid 290529 tid 290529 thread 0 bound to OS proc set {88}
OMP: pid 290708 tid 290708 thread 0 bound to OS proc set {98}
OMP: pid 290681 tid 290681 thread 0 bound to OS proc set {114}
OMP: pid 290502 tid 290502 thread 0 bound to OS proc set {51}
OMP: pid 290513 tid 290513 thread 0 bound to OS proc set {14}
OMP: pid 290605 tid 290605 thread 0 bound to OS proc set {54}
OMP: pid 290668 tid 290668 thread 0 bound to OS proc set {6}
OMP: pid 290656 tid 290656 thread 0 bound to OS proc set {124}
OMP: pid 290522 tid 290522 thread 0 bound to OS proc set {7}
OMP: pid 290591 tid 290591 thread 0 bound to OS proc set {43}
OMP: pid 290701 tid 290701 thread 0 bound to OS proc set {63}
OMP: pid 290698 tid 290698 thread 0 bound to OS proc set {10}
OMP: pid 290540 tid 290540 thread 0 bound to OS proc set {20}
OMP: pid 290646 tid 290646 thread 0 bound to OS proc set {82}
OMP: pid 290643 tid 290643 thread 0 bound to OS proc set {96}
OMP: pid 290551 tid 290551 thread 0 bound to OS proc set {29}
OMP: pid 290597 tid 290597 thread 0 bound to OS proc set {112}
OMP: pid 290543 tid 290543 thread 0 bound to OS proc set {39}
OMP: pid 290649 tid 290649 thread 0 bound to OS proc set {22}
OMP: pid 290621 tid 290621 thread 0 bound to OS proc set {117}
OMP: pid 290530 tid 290530 thread 0 bound to OS proc set {161}
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 = 0.048 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 62.46 | 63.45 | 64.55 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 1.89518 on 216 procs for 10 steps with 32768000 atoms
Performance: 2.279 ns/day, 10.529 hours/ns, 5.277 timesteps/s, 172.902 Matom-step/s
83.8% CPU use with 216 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.2215 | 1.3609 | 1.4475 | 3.7 | 71.81
Neigh | 0.16379 | 0.20073 | 0.22153 | 2.3 | 10.59
Comm | 0.08478 | 0.19134 | 0.3959 | 12.1 | 10.10
Output | 0.017423 | 0.018744 | 0.025633 | 0.8 | 0.99
Modify | 0.027107 | 0.060493 | 0.069522 | 2.0 | 3.19
Other | | 0.06298 | | | 3.32
Nlocal: 151704 ave 152941 max 150454 min
Histogram: 54 2 0 11 5 48 64 0 0 32
Nghost: 50705 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 = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 62.48 | 63.47 | 64.55 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 105.078 on 216 procs for 500 steps with 32768000 atoms
Performance: 2.056 ns/day, 11.675 hours/ns, 4.758 timesteps/s, 155.922 Matom-step/s
98.6% CPU use with 216 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 74.526 | 78.097 | 81.323 | 19.3 | 74.32
Neigh | 13.916 | 17.163 | 18.442 | 16.5 | 16.33
Comm | 1.6928 | 5.9088 | 14.686 | 82.0 | 5.62
Output | 0.016785 | 0.019548 | 0.040165 | 1.8 | 0.02
Modify | 0.51559 | 2.0231 | 3.036 | 37.6 | 1.93
Other | | 1.867 | | | 1.78
Nlocal: 151704 ave 153168 max 150185 min
Histogram: 14 39 3 6 14 48 51 10 14 17
Nghost: 50619.1 ave 52051 max 48786 min
Histogram: 8 15 21 23 6 25 41 42 30 5
Neighs: 5.72637e+06 ave 5.80676e+06 max 5.66821e+06 min
Histogram: 21 33 23 45 10 15 30 22 7 10
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:48
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_7 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 240 Lprof instances in isix03.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 295788 isix03.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 295765 isix03.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 295757 isix03.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 295957 isix03.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 295771 isix03.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 295774 isix03.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 295889 isix03.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 295855 isix03.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 295821 isix03.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 295870 isix03.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 295897 isix03.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 295892 isix03.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 295837 isix03.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 295886 isix03.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 295820 isix03.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 295748 isix03.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 295725 isix03.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 295784 isix03.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 295768 isix03.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 295962 isix03.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 295880 isix03.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 295724 isix03.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 295738 isix03.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 295876 isix03.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 295958 isix03.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 295818 isix03.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 295860 isix03.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 295864 isix03.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 295878 isix03.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 295896 isix03.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 295862 isix03.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 295858 isix03.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 295759 isix03.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 295857 isix03.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 295735 isix03.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 295832 isix03.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 295966 isix03.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 295734 isix03.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 295902 isix03.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 295767 isix03.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 295793 isix03.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 295865 isix03.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 295856 isix03.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 295797 isix03.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 295815 isix03.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 295722 isix03.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 295945 isix03.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 295923 isix03.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 295838 isix03.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 295789 isix03.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 295737 isix03.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 295907 isix03.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 295910 isix03.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 295887 isix03.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 295844 isix03.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 295903 isix03.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 295831 isix03.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 295846 isix03.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 295803 isix03.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 295942 isix03.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 295944 isix03.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 295809 isix03.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 295848 isix03.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 295727 isix03.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 295791 isix03.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 295922 isix03.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 295843 isix03.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 295908 isix03.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 295950 isix03.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 295743 isix03.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 295906 isix03.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 295799 isix03.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 295953 isix03.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 295940 isix03.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 295961 isix03.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 295796 isix03.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 295956 isix03.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 295785 isix03.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 295941 isix03.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 295794 isix03.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 295792 isix03.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 295841 isix03.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 295965 isix03.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 295946 isix03.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 295947 isix03.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 295800 isix03.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 295871 isix03.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 295904 isix03.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 295853 isix03.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 295891 isix03.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 295920 isix03.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 295782 isix03.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 295823 isix03.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 295741 isix03.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 295834 isix03.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 295839 isix03.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 295824 isix03.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 295930 isix03.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 295795 isix03.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 295754 isix03.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 295813 isix03.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 295929 isix03.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 295859 isix03.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 295893 isix03.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 295939 isix03.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 295909 isix03.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 295898 isix03.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 295777 isix03.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 295750 isix03.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 295861 isix03.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 295927 isix03.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 295851 isix03.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 295804 isix03.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 295752 isix03.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 295751 isix03.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 295790 isix03.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 295773 isix03.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 295964 isix03.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 295731 isix03.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 295852 isix03.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 295758 isix03.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 295933 isix03.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 295900 isix03.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 295850 isix03.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 295778 isix03.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 295723 isix03.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 295845 isix03.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 295760 isix03.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 295873 isix03.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 295779 isix03.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 295763 isix03.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 295742 isix03.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 295918 isix03.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 295764 isix03.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 295829 isix03.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 295935 isix03.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 295875 isix03.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 295883 isix03.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 295808 isix03.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 295959 isix03.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 295882 isix03.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 295745 isix03.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 295960 isix03.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 295769 isix03.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 295836 isix03.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 295921 isix03.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 295849 isix03.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 295894 isix03.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 295762 isix03.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 295912 isix03.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 295955 isix03.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 295917 isix03.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 295869 isix03.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 295756 isix03.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 295911 isix03.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 295949 isix03.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 295872 isix03.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 295916 isix03.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 295868 isix03.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 295895 isix03.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 295830 isix03.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 295932 isix03.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 295825 isix03.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 295936 isix03.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 295854 isix03.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 295729 isix03.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 295948 isix03.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 295954 isix03.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 295937 isix03.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 295881 isix03.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 295938 isix03.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 295943 isix03.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 295816 isix03.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 295753 isix03.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 295746 isix03.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 295913 isix03.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 295739 isix03.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 295833 isix03.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 295817 isix03.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 295770 isix03.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 295899 isix03.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 295736 isix03.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 295905 isix03.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 295951 isix03.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 295842 isix03.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 295867 isix03.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 295812 isix03.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 295761 isix03.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 295963 isix03.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 295885 isix03.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 295835 isix03.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 295866 isix03.benchmarkcenter.megware.com {191,447}
[0] MPI startup(): 192 295915 isix03.benchmarkcenter.megware.com {192,448}
[0] MPI startup(): 193 295901 isix03.benchmarkcenter.megware.com {193,449}
[0] MPI startup(): 194 295814 isix03.benchmarkcenter.megware.com {194,450}
[0] MPI startup(): 195 295879 isix03.benchmarkcenter.megware.com {195,451}
[0] MPI startup(): 196 295726 isix03.benchmarkcenter.megware.com {196,452}
[0] MPI startup(): 197 295928 isix03.benchmarkcenter.megware.com {197,453}
[0] MPI startup(): 198 295755 isix03.benchmarkcenter.megware.com {198,454}
[0] MPI startup(): 199 295828 isix03.benchmarkcenter.megware.com {199,455}
[0] MPI startup(): 200 295747 isix03.benchmarkcenter.megware.com {200,456}
[0] MPI startup(): 201 295730 isix03.benchmarkcenter.megware.com {201,457}
[0] MPI startup(): 202 295807 isix03.benchmarkcenter.megware.com {202,458}
[0] MPI startup(): 203 295826 isix03.benchmarkcenter.megware.com {203,459}
[0] MPI startup(): 204 295728 isix03.benchmarkcenter.megware.com {204,460}
[0] MPI startup(): 205 295919 isix03.benchmarkcenter.megware.com {205,461}
[0] MPI startup(): 206 295890 isix03.benchmarkcenter.megware.com {206,462}
[0] MPI startup(): 207 295914 isix03.benchmarkcenter.megware.com {207,463}
[0] MPI startup(): 208 295863 isix03.benchmarkcenter.megware.com {208,464}
[0] MPI startup(): 209 295811 isix03.benchmarkcenter.megware.com {209,465}
[0] MPI startup(): 210 295780 isix03.benchmarkcenter.megware.com {210,466}
[0] MPI startup(): 211 295884 isix03.benchmarkcenter.megware.com {211,467}
[0] MPI startup(): 212 295810 isix03.benchmarkcenter.megware.com {212,468}
[0] MPI startup(): 213 295733 isix03.benchmarkcenter.megware.com {213,469}
[0] MPI startup(): 214 295744 isix03.benchmarkcenter.megware.com {214,470}
[0] MPI startup(): 215 295781 isix03.benchmarkcenter.megware.com {215,471}
[0] MPI startup(): 216 295786 isix03.benchmarkcenter.megware.com {216,472}
[0] MPI startup(): 217 295805 isix03.benchmarkcenter.megware.com {217,473}
[0] MPI startup(): 218 295822 isix03.benchmarkcenter.megware.com {218,474}
[0] MPI startup(): 219 295802 isix03.benchmarkcenter.megware.com {219,475}
[0] MPI startup(): 220 295877 isix03.benchmarkcenter.megware.com {220,476}
[0] MPI startup(): 221 295840 isix03.benchmarkcenter.megware.com {221,477}
[0] MPI startup(): 222 295732 isix03.benchmarkcenter.megware.com {222,478}
[0] MPI startup(): 223 295798 isix03.benchmarkcenter.megware.com {223,479}
[0] MPI startup(): 224 295827 isix03.benchmarkcenter.megware.com {224,480}
[0] MPI startup(): 225 295776 isix03.benchmarkcenter.megware.com {225,481}
[0] MPI startup(): 226 295775 isix03.benchmarkcenter.megware.com {226,482}
[0] MPI startup(): 227 295766 isix03.benchmarkcenter.megware.com {227,483}
[0] MPI startup(): 228 295925 isix03.benchmarkcenter.megware.com {228,484}
[0] MPI startup(): 229 295783 isix03.benchmarkcenter.megware.com {229,485}
[0] MPI startup(): 230 295924 isix03.benchmarkcenter.megware.com {230,486}
[0] MPI startup(): 231 295926 isix03.benchmarkcenter.megware.com {231,487}
[0] MPI startup(): 232 295801 isix03.benchmarkcenter.megware.com {232,488}
[0] MPI startup(): 233 295740 isix03.benchmarkcenter.megware.com {233,489}
[0] MPI startup(): 234 295806 isix03.benchmarkcenter.megware.com {234,490}
[0] MPI startup(): 235 295888 isix03.benchmarkcenter.megware.com {235,491}
[0] MPI startup(): 236 295934 isix03.benchmarkcenter.megware.com {236,492}
[0] MPI startup(): 237 295874 isix03.benchmarkcenter.megware.com {237,493}
[0] MPI startup(): 238 295952 isix03.benchmarkcenter.megware.com {238,494}
[0] MPI startup(): 239 295787 isix03.benchmarkcenter.megware.com {239,495}
OMP: pid 295892 tid 295892 thread 0 bound to OS proc set {11}
OMP: pid 295732 tid 295732 thread 0 bound to OS proc set {222}
OMP: pid 295839 tid 295839 thread 0 bound to OS proc set {95}
OMP: pid 295796 tid 295796 thread 0 bound to OS proc set {75}
OMP: pid 295831 tid 295831 thread 0 bound to OS proc set {56}
OMP: pid 295963 tid 295963 thread 0 bound to OS proc set {188}
OMP: pid 295887 tid 295887 thread 0 bound to OS proc set {53}
OMP: pid 295784 tid 295784 thread 0 bound to OS proc set {17}
OMP: pid 295849 tid 295849 thread 0 bound to OS proc set {146}
OMP: pid 295802 tid 295802 thread 0 bound to OS proc set {219}
OMP: pid 295826 tid 295826 thread 0 bound to OS proc set {203}
OMP: pid 295824 tid 295824 thread 0 bound to OS proc set {96}
OMP: pid 295873 tid 295873 thread 0 bound to OS proc set {128}
OMP: pid 295756 tid 295756 thread 0 bound to OS proc set {153}
OMP: pid 295807 tid 295807 thread 0 bound to OS proc set {202}
OMP: pid 295926 tid 295926 thread 0 bound to OS proc set {231}
OMP: pid 295952 tid 295952 thread 0 bound to OS proc set {238}
OMP: pid 295924 tid 295924 thread 0 bound to OS proc set {230}
OMP: pid 295748 tid 295748 thread 0 bound to OS proc set {15}
OMP: pid 295737 tid 295737 thread 0 bound to OS proc set {50}
OMP: pid 295888 tid 295888 thread 0 bound to OS proc set {235}
OMP: pid 295949 tid 295949 thread 0 bound to OS proc set {155}
OMP: pid 295733 tid 295733 thread 0 bound to OS proc set {213}
OMP: pid 295881 tid 295881 thread 0 bound to OS proc set {169}
OMP: pid 295852 tid 295852 thread 0 bound to OS proc set {119}
OMP: pid 295738 tid 295738 thread 0 bound to OS proc set {22}
OMP: pid 295856 tid 295856 thread 0 bound to OS proc set {42}
OMP: pid 295816 tid 295816 thread 0 bound to OS proc set {172}
OMP: pid 295895 tid 295895 thread 0 bound to OS proc set {159}
OMP: pid 295745 tid 295745 thread 0 bound to OS proc set {141}
OMP: pid 295943 tid 295943 thread 0 bound to OS proc set {171}
OMP: pid 295956 tid 295956 thread 0 bound to OS proc set {76}
OMP: pid 295938 tid 295938 thread 0 bound to OS proc set {170}
OMP: pid 295859 tid 295859 thread 0 bound to OS proc set {102}
OMP: pid 295774 tid 295774 thread 0 bound to OS proc set {5}
OMP: pid 295725 tid 295725 thread 0 bound to OS proc set {16}
OMP: pid 295727 tid 295727 thread 0 bound to OS proc set {63}
OMP: pid 295830 tid 295830 thread 0 bound to OS proc set {160}
OMP: pid 295758 tid 295758 thread 0 bound to OS proc set {120}
OMP: pid 295945 tid 295945 thread 0 bound to OS proc set {46}
OMP: pid 295836 tid 295836 thread 0 bound to OS proc set {144}
OMP: pid 295822 tid 295822 thread 0 bound to OS proc set {218}
OMP: pid 295820 tid 295820 thread 0 bound to OS proc set {14}
OMP: pid 295913 tid 295913 thread 0 bound to OS proc set {175}
OMP: pid 295959 tid 295959 thread 0 bound to OS proc set {139}
OMP: pid 295845 tid 295845 thread 0 bound to OS proc set {126}
OMP: pid 295854 tid 295854 thread 0 bound to OS proc set {164}
OMP: pid 295923 tid 295923 thread 0 bound to OS proc set {47}
OMP: pid 295962 tid 295962 thread 0 bound to OS proc set {19}
OMP: pid 295855 tid 295855 thread 0 bound to OS proc set {7}
OMP: pid 295940 tid 295940 thread 0 bound to OS proc set {73}
OMP: pid 295734 tid 295734 thread 0 bound to OS proc set {37}
OMP: pid 295912 tid 295912 thread 0 bound to OS proc set {149}
OMP: pid 295937 tid 295937 thread 0 bound to OS proc set {168}
OMP: pid 295842 tid 295842 thread 0 bound to OS proc set {184}
OMP: pid 295726 tid 295726 thread 0 bound to OS proc set {196}
OMP: pid 295783 tid 295783 thread 0 bound to OS proc set {229}
OMP: pid 295915 tid 295915 thread 0 bound to OS proc set {192}
OMP: pid 295934 tid 295934 thread 0 bound to OS proc set {236}
OMP: pid 295942 tid 295942 thread 0 bound to OS proc set {59}
OMP: pid 295960 tid 295960 thread 0 bound to OS proc set {142}
OMP: pid 295871 tid 295871 thread 0 bound to OS proc set {86}
OMP: pid 295894 tid 295894 thread 0 bound to OS proc set {147}
OMP: pid 295750 tid 295750 thread 0 bound to OS proc set {108}
OMP: pid 295747 tid 295747 thread 0 bound to OS proc set {200}
OMP: pid 295741 tid 295741 thread 0 bound to OS proc set {93}
OMP: pid 295918 tid 295918 thread 0 bound to OS proc set {132}
OMP: pid 295958 tid 295958 thread 0 bound to OS proc set {24}
OMP: pid 295919 tid 295919 thread 0 bound to OS proc set {205}
OMP: pid 295765 tid 295765 thread 0 bound to OS proc set {1}
OMP: pid 295798 tid 295798 thread 0 bound to OS proc set {223}
OMP: pid 295787 tid 295787 thread 0 bound to OS proc set {239}
OMP: pid 295828 tid 295828 thread 0 bound to OS proc set {199}
OMP: pid 295751 tid 295751 thread 0 bound to OS proc set {114}
OMP: pid 295805 tid 295805 thread 0 bound to OS proc set {217}
OMP: pid 295950 tid 295950 thread 0 bound to OS proc set {68}
OMP: pid 295760 tid 295760 thread 0 bound to OS proc set {127}
OMP: pid 295867 tid 295867 thread 0 bound to OS proc set {185}
OMP: pid 295914 tid 295914 thread 0 bound to OS proc set {207}
OMP: pid 295850 tid 295850 thread 0 bound to OS proc set {123}
OMP: pid 295930 tid 295930 thread 0 bound to OS proc set {97}
OMP: pid 295929 tid 295929 thread 0 bound to OS proc set {101}
OMP: pid 295883 tid 295883 thread 0 bound to OS proc set {137}
OMP: pid 295767 tid 295767 thread 0 bound to OS proc set {39}
OMP: pid 295766 tid 295766 thread 0 bound to OS proc set {227}
OMP: pid 295809 tid 295809 thread 0 bound to OS proc set {61}
OMP: pid 295813 tid 295813 thread 0 bound to OS proc set {100}
OMP: pid 295834 tid 295834 thread 0 bound to OS proc set {94}
OMP: pid 295935 tid 295935 thread 0 bound to OS proc set {135}
OMP: pid 295788 tid 295788 thread 0 bound to OS proc set {0}
OMP: pid 295743 tid 295743 thread 0 bound to OS proc set {69}
OMP: pid 295902 tid 295902 thread 0 bound to OS proc set {38}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 295825 tid 295825 thread 0 bound to OS proc set {162}
OMP: pid 295723 tid 295723 thread 0 bound to OS proc set {125}
OMP: pid 295736 tid 295736 thread 0 bound to OS proc set {181}
OMP: pid 295829 tid 295829 thread 0 bound to OS proc set {134}
OMP: pid 295905 tid 295905 thread 0 bound to OS proc set {182}
OMP: pid 295853 tid 295853 thread 0 bound to OS proc set {88}
OMP: pid 295806 tid 295806 thread 0 bound to OS proc set {234}
OMP: pid 295884 tid 295884 thread 0 bound to OS proc set {211}
OMP: pid 295891 tid 295891 thread 0 bound to OS proc set {89}
OMP: pid 295965 tid 295965 thread 0 bound to OS proc set {82}
OMP: pid 295786 tid 295786 thread 0 bound to OS proc set {216}
OMP: pid 295893 tid 295893 thread 0 bound to OS proc set {103}
OMP: pid 295900 tid 295900 thread 0 bound to OS proc set {122}
OMP: pid 295763 tid 295763 thread 0 bound to OS proc set {130}
OMP: pid 295961 tid 295961 thread 0 bound to OS proc set {74}
OMP: pid 295911 tid 295911 thread 0 bound to OS proc set {154}
OMP: pid 295724 tid 295724 thread 0 bound to OS proc set {21}
OMP: pid 295928 tid 295928 thread 0 bound to OS proc set {197}
OMP: pid 295838 tid 295838 thread 0 bound to OS proc set {48}
OMP: pid 295764 tid 295764 thread 0 bound to OS proc set {133}
OMP: pid 295869 tid 295869 thread 0 bound to OS proc set {152}
OMP: pid 295789 tid 295789 thread 0 bound to OS proc set {49}
OMP: pid 295800 tid 295800 thread 0 bound to OS proc set {85}
OMP: pid 295946 tid 295946 thread 0 bound to OS proc set {83}
OMP: pid 295932 tid 295932 thread 0 bound to OS proc set {161}
OMP: pid 295827 tid 295827 thread 0 bound to OS proc set {224}
OMP: pid 295776 tid 295776 thread 0 bound to OS proc set {225}
OMP: pid 295901 tid 295901 thread 0 bound to OS proc set {193}
OMP: pid 295898 tid 295898 thread 0 bound to OS proc set {106}
OMP: pid 295889 tid 295889 thread 0 bound to OS proc set {6}
OMP: pid 295907 tid 295907 thread 0 bound to OS proc set {51}
OMP: pid 295794 tid 295794 thread 0 bound to OS proc set {79}
OMP: pid 295808 tid 295808 thread 0 bound to OS proc set {138}
OMP: pid 295752 tid 295752 thread 0 bound to OS proc set {113}
OMP: pid 295823 tid 295823 thread 0 bound to OS proc set {92}
OMP: pid 295927 tid 295927 thread 0 bound to OS proc set {110}
OMP: pid 295818 tid 295818 thread 0 bound to OS proc set {25}
OMP: pid 295951 tid 295951 thread 0 bound to OS proc set {183}
OMP: pid 295876 tid 295876 thread 0 bound to OS proc set {23}
OMP: pid 295791 tid 295791 thread 0 bound to OS proc set {64}
OMP: pid 295890 tid 295890 thread 0 bound to OS proc set {206}
OMP: pid 295775 tid 295775 thread 0 bound to OS proc set {226}
OMP: pid 295954 tid 295954 thread 0 bound to OS proc set {167}
OMP: pid 295801 tid 295801 thread 0 bound to OS proc set {232}
OMP: pid 295793 tid 295793 thread 0 bound to OS proc set {40}
OMP: pid 295882 tid 295882 thread 0 bound to OS proc set {140}
OMP: pid 295922 tid 295922 thread 0 bound to OS proc set {65}
OMP: pid 295862 tid 295862 thread 0 bound to OS proc set {30}
OMP: pid 295762 tid 295762 thread 0 bound to OS proc set {148}
OMP: pid 295759 tid 295759 thread 0 bound to OS proc set {32}
OMP: pid 295863 tid 295863 thread 0 bound to OS proc set {208}
OMP: pid 295860 tid 295860 thread 0 bound to OS proc set {26}
OMP: pid 295966 tid 295966 thread 0 bound to OS proc set {36}
OMP: pid 295910 tid 295910 thread 0 bound to OS proc set {52}
OMP: pid 295916 tid 295916 thread 0 bound to OS proc set {157}
OMP: pid 295792 tid 295792 thread 0 bound to OS proc set {80}
OMP: pid 295868 tid 295868 thread 0 bound to OS proc set {158}
OMP: pid 295870 tid 295870 thread 0 bound to OS proc set {9}
OMP: pid 295939 tid 295939 thread 0 bound to OS proc set {104}
OMP: pid 295921 tid 295921 thread 0 bound to OS proc set {145}
OMP: pid 295779 tid 295779 thread 0 bound to OS proc set {129}
OMP: pid 295746 tid 295746 thread 0 bound to OS proc set {174}
OMP: pid 295797 tid 295797 thread 0 bound to OS proc set {43}
OMP: pid 295781 tid 295781 thread 0 bound to OS proc set {215}
OMP: pid 295778 tid 295778 thread 0 bound to OS proc set {124}
OMP: pid 295814 tid 295814 thread 0 bound to OS proc set {194}
OMP: pid 295857 tid 295857 thread 0 bound to OS proc set {33}
OMP: pid 295906 tid 295906 thread 0 bound to OS proc set {70}
OMP: pid 295810 tid 295810 thread 0 bound to OS proc set {212}
OMP: pid 295744 tid 295744 thread 0 bound to OS proc set {214}
OMP: pid 295957 tid 295957 thread 0 bound to OS proc set {3}
OMP: pid 295795 tid 295795 thread 0 bound to OS proc set {98}
OMP: pid 295782 tid 295782 thread 0 bound to OS proc set {91}
OMP: pid 295885 tid 295885 thread 0 bound to OS proc set {189}
OMP: pid 295872 tid 295872 thread 0 bound to OS proc set {156}
OMP: pid 295811 tid 295811 thread 0 bound to OS proc set {209}
OMP: pid 295815 tid 295815 thread 0 bound to OS proc set {44}
OMP: pid 295851 tid 295851 thread 0 bound to OS proc set {111}
OMP: pid 295821 tid 295821 thread 0 bound to OS proc set {8}
OMP: pid 295817 tid 295817 thread 0 bound to OS proc set {178}
OMP: pid 295908 tid 295908 thread 0 bound to OS proc set {67}
OMP: pid 295899 tid 295899 thread 0 bound to OS proc set {180}
OMP: pid 295879 tid 295879 thread 0 bound to OS proc set {195}
OMP: pid 295897 tid 295897 thread 0 bound to OS proc set {10}
OMP: pid 295874 tid 295874 thread 0 bound to OS proc set {237}
OMP: pid 295848 tid 295848 thread 0 bound to OS proc set {62}
OMP: pid 295846 tid 295846 thread 0 bound to OS proc set {57}
OMP: pid 295944 tid 295944 thread 0 bound to OS proc set {60}
OMP: pid 295812 tid 295812 thread 0 bound to OS proc set {186}
OMP: pid 295730 tid 295730 thread 0 bound to OS proc set {201}
OMP: pid 295780 tid 295780 thread 0 bound to OS proc set {210}
OMP: pid 295875 tid 295875 thread 0 bound to OS proc set {136}
OMP: pid 295917 tid 295917 thread 0 bound to OS proc set {151}
OMP: pid 295757 tid 295757 thread 0 bound to OS proc set {2}
OMP: pid 295803 tid 295803 thread 0 bound to OS proc set {58}
OMP: pid 295729 tid 295729 thread 0 bound to OS proc set {165}
OMP: pid 295739 tid 295739 thread 0 bound to OS proc set {176}
OMP: pid 295933 tid 295933 thread 0 bound to OS proc set {121}
OMP: pid 295925 tid 295925 thread 0 bound to OS proc set {228}
OMP: pid 295770 tid 295770 thread 0 bound to OS proc set {179}
OMP: pid 295777 tid 295777 thread 0 bound to OS proc set {107}
OMP: pid 295835 tid 295835 thread 0 bound to OS proc set {190}
OMP: pid 295844 tid 295844 thread 0 bound to OS proc set {54}
OMP: pid 295769 tid 295769 thread 0 bound to OS proc set {143}
OMP: pid 295771 tid 295771 thread 0 bound to OS proc set {4}
OMP: pid 295722 tid 295722 thread 0 bound to OS proc set {45}
OMP: pid 295753 tid 295753 thread 0 bound to OS proc set {173}
OMP: pid 295896 tid 295896 thread 0 bound to OS proc set {29}
OMP: pid 295728 tid 295728 thread 0 bound to OS proc set {204}
OMP: pid 295840 tid 295840 thread 0 bound to OS proc set {221}
OMP: pid 295742 tid 295742 thread 0 bound to OS proc set {131}
OMP: pid 295804 tid 295804 thread 0 bound to OS proc set {112}
OMP: pid 295948 tid 295948 thread 0 bound to OS proc set {166}
OMP: pid 295754 tid 295754 thread 0 bound to OS proc set {99}
OMP: pid 295861 tid 295861 thread 0 bound to OS proc set {109}
OMP: pid 295833 tid 295833 thread 0 bound to OS proc set {177}
OMP: pid 295740 tid 295740 thread 0 bound to OS proc set {233}
OMP: pid 295947 tid 295947 thread 0 bound to OS proc set {84}
OMP: pid 295841 tid 295841 thread 0 bound to OS proc set {81}
OMP: pid 295904 tid 295904 thread 0 bound to OS proc set {87}
OMP: pid 295920 tid 295920 thread 0 bound to OS proc set {90}
OMP: pid 295866 tid 295866 thread 0 bound to OS proc set {191}
OMP: pid 295832 tid 295832 thread 0 bound to OS proc set {35}
OMP: pid 295768 tid 295768 thread 0 bound to OS proc set {18}
OMP: pid 295755 tid 295755 thread 0 bound to OS proc set {198}
OMP: pid 295953 tid 295953 thread 0 bound to OS proc set {72}
OMP: pid 295864 tid 295864 thread 0 bound to OS proc set {27}
OMP: pid 295843 tid 295843 thread 0 bound to OS proc set {66}
OMP: pid 295936 tid 295936 thread 0 bound to OS proc set {163}
OMP: pid 295877 tid 295877 thread 0 bound to OS proc set {220}
OMP: pid 295858 tid 295858 thread 0 bound to OS proc set {31}
OMP: pid 295903 tid 295903 thread 0 bound to OS proc set {55}
OMP: pid 295799 tid 295799 thread 0 bound to OS proc set {71}
OMP: pid 295909 tid 295909 thread 0 bound to OS proc set {105}
OMP: pid 295731 tid 295731 thread 0 bound to OS proc set {118}
OMP: pid 295785 tid 295785 thread 0 bound to OS proc set {77}
OMP: pid 295790 tid 295790 thread 0 bound to OS proc set {115}
OMP: pid 295773 tid 295773 thread 0 bound to OS proc set {116}
OMP: pid 295837 tid 295837 thread 0 bound to OS proc set {12}
OMP: pid 295886 tid 295886 thread 0 bound to OS proc set {13}
OMP: pid 295880 tid 295880 thread 0 bound to OS proc set {20}
OMP: pid 295878 tid 295878 thread 0 bound to OS proc set {28}
OMP: pid 295735 tid 295735 thread 0 bound to OS proc set {34}
OMP: pid 295865 tid 295865 thread 0 bound to OS proc set {41}
OMP: pid 295941 tid 295941 thread 0 bound to OS proc set {78}
OMP: pid 295964 tid 295964 thread 0 bound to OS proc set {117}
OMP: pid 295955 tid 295955 thread 0 bound to OS proc set {150}
OMP: pid 295761 tid 295761 thread 0 bound to OS proc set {187}
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 = 0.158 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 56.57 | 57.71 | 58.82 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 1.62264 on 240 procs for 10 steps with 32768000 atoms
Performance: 2.662 ns/day, 9.015 hours/ns, 6.163 timesteps/s, 201.943 Matom-step/s
87.2% CPU use with 240 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0475 | 1.1402 | 1.2296 | 4.0 | 70.27
Neigh | 0.14377 | 0.16638 | 0.17519 | 1.8 | 10.25
Comm | 0.095902 | 0.18869 | 0.31081 | 10.7 | 11.63
Output | 0.029277 | 0.031054 | 0.033298 | 0.5 | 1.91
Modify | 0.03471 | 0.051562 | 0.061506 | 2.6 | 3.18
Other | | 0.04471 | | | 2.76
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 = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 56.61 | 57.73 | 58.82 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 93.4615 on 240 procs for 500 steps with 32768000 atoms
Performance: 2.311 ns/day, 10.385 hours/ns, 5.350 timesteps/s, 175.302 Matom-step/s
98.4% CPU use with 240 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 66.576 | 69.883 | 71.785 | 17.2 | 74.77
Neigh | 12.547 | 15.29 | 16.655 | 25.4 | 16.36
Comm | 1.7378 | 4.8785 | 10.706 | 112.7 | 5.22
Output | 0.016306 | 0.019508 | 0.03133 | 2.5 | 0.02
Modify | 1.0403 | 2.3483 | 3.0558 | 43.5 | 2.51
Other | | 1.042 | | | 1.12
Nlocal: 136533 ave 137378 max 135207 min
Histogram: 9 24 33 13 1 0 14 59 65 22
Nghost: 48368.2 ave 49132 max 47807 min
Histogram: 6 13 34 59 56 42 17 6 4 3
Neighs: 5.15374e+06 ave 5.1949e+06 max 5.09703e+06 min
Histogram: 7 20 26 18 10 10 40 65 33 11
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:38
[MAQAO] Info: 162/240 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_8 #
#####################################################################################################################################################################################################################
* [MAQAO] Info: Detected 256 Lprof instances in isix03.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 301074 isix03.benchmarkcenter.megware.com {0,256}
[0] MPI startup(): 1 301235 isix03.benchmarkcenter.megware.com {1,257}
[0] MPI startup(): 2 301068 isix03.benchmarkcenter.megware.com {2,258}
[0] MPI startup(): 3 301293 isix03.benchmarkcenter.megware.com {3,259}
[0] MPI startup(): 4 301198 isix03.benchmarkcenter.megware.com {4,260}
[0] MPI startup(): 5 301226 isix03.benchmarkcenter.megware.com {5,261}
[0] MPI startup(): 6 301251 isix03.benchmarkcenter.megware.com {6,262}
[0] MPI startup(): 7 301135 isix03.benchmarkcenter.megware.com {7,263}
[0] MPI startup(): 8 301057 isix03.benchmarkcenter.megware.com {8,264}
[0] MPI startup(): 9 301140 isix03.benchmarkcenter.megware.com {9,265}
[0] MPI startup(): 10 301205 isix03.benchmarkcenter.megware.com {10,266}
[0] MPI startup(): 11 301098 isix03.benchmarkcenter.megware.com {11,267}
[0] MPI startup(): 12 301145 isix03.benchmarkcenter.megware.com {12,268}
[0] MPI startup(): 13 301287 isix03.benchmarkcenter.megware.com {13,269}
[0] MPI startup(): 14 301201 isix03.benchmarkcenter.megware.com {14,270}
[0] MPI startup(): 15 301116 isix03.benchmarkcenter.megware.com {15,271}
[0] MPI startup(): 16 301148 isix03.benchmarkcenter.megware.com {16,272}
[0] MPI startup(): 17 301099 isix03.benchmarkcenter.megware.com {17,273}
[0] MPI startup(): 18 301064 isix03.benchmarkcenter.megware.com {18,274}
[0] MPI startup(): 19 301223 isix03.benchmarkcenter.megware.com {19,275}
[0] MPI startup(): 20 301199 isix03.benchmarkcenter.megware.com {20,276}
[0] MPI startup(): 21 301260 isix03.benchmarkcenter.megware.com {21,277}
[0] MPI startup(): 22 301160 isix03.benchmarkcenter.megware.com {22,278}
[0] MPI startup(): 23 301134 isix03.benchmarkcenter.megware.com {23,279}
[0] MPI startup(): 24 301271 isix03.benchmarkcenter.megware.com {24,280}
[0] MPI startup(): 25 301213 isix03.benchmarkcenter.megware.com {25,281}
[0] MPI startup(): 26 301222 isix03.benchmarkcenter.megware.com {26,282}
[0] MPI startup(): 27 301292 isix03.benchmarkcenter.megware.com {27,283}
[0] MPI startup(): 28 301258 isix03.benchmarkcenter.megware.com {28,284}
[0] MPI startup(): 29 301142 isix03.benchmarkcenter.megware.com {29,285}
[0] MPI startup(): 30 301095 isix03.benchmarkcenter.megware.com {30,286}
[0] MPI startup(): 31 301265 isix03.benchmarkcenter.megware.com {31,287}
[0] MPI startup(): 32 301228 isix03.benchmarkcenter.megware.com {32,288}
[0] MPI startup(): 33 301242 isix03.benchmarkcenter.megware.com {33,289}
[0] MPI startup(): 34 301316 isix03.benchmarkcenter.megware.com {34,290}
[0] MPI startup(): 35 301133 isix03.benchmarkcenter.megware.com {35,291}
[0] MPI startup(): 36 301303 isix03.benchmarkcenter.megware.com {36,292}
[0] MPI startup(): 37 301189 isix03.benchmarkcenter.megware.com {37,293}
[0] MPI startup(): 38 301283 isix03.benchmarkcenter.megware.com {38,294}
[0] MPI startup(): 39 301131 isix03.benchmarkcenter.megware.com {39,295}
[0] MPI startup(): 40 301087 isix03.benchmarkcenter.megware.com {40,296}
[0] MPI startup(): 41 301139 isix03.benchmarkcenter.megware.com {41,297}
[0] MPI startup(): 42 301158 isix03.benchmarkcenter.megware.com {42,298}
[0] MPI startup(): 43 301306 isix03.benchmarkcenter.megware.com {43,299}
[0] MPI startup(): 44 301290 isix03.benchmarkcenter.megware.com {44,300}
[0] MPI startup(): 45 301305 isix03.benchmarkcenter.megware.com {45,301}
[0] MPI startup(): 46 301104 isix03.benchmarkcenter.megware.com {46,302}
[0] MPI startup(): 47 301085 isix03.benchmarkcenter.megware.com {47,303}
[0] MPI startup(): 48 301153 isix03.benchmarkcenter.megware.com {48,304}
[0] MPI startup(): 49 301103 isix03.benchmarkcenter.megware.com {49,305}
[0] MPI startup(): 50 301245 isix03.benchmarkcenter.megware.com {50,306}
[0] MPI startup(): 51 301083 isix03.benchmarkcenter.megware.com {51,307}
[0] MPI startup(): 52 301236 isix03.benchmarkcenter.megware.com {52,308}
[0] MPI startup(): 53 301256 isix03.benchmarkcenter.megware.com {53,309}
[0] MPI startup(): 54 301168 isix03.benchmarkcenter.megware.com {54,310}
[0] MPI startup(): 55 301230 isix03.benchmarkcenter.megware.com {55,311}
[0] MPI startup(): 56 301123 isix03.benchmarkcenter.megware.com {56,312}
[0] MPI startup(): 57 301277 isix03.benchmarkcenter.megware.com {57,313}
[0] MPI startup(): 58 301315 isix03.benchmarkcenter.megware.com {58,314}
[0] MPI startup(): 59 301077 isix03.benchmarkcenter.megware.com {59,315}
[0] MPI startup(): 60 301282 isix03.benchmarkcenter.megware.com {60,316}
[0] MPI startup(): 61 301288 isix03.benchmarkcenter.megware.com {61,317}
[0] MPI startup(): 62 301172 isix03.benchmarkcenter.megware.com {62,318}
[0] MPI startup(): 63 301203 isix03.benchmarkcenter.megware.com {63,319}
[0] MPI startup(): 64 301259 isix03.benchmarkcenter.megware.com {64,320}
[0] MPI startup(): 65 301309 isix03.benchmarkcenter.megware.com {65,321}
[0] MPI startup(): 66 301154 isix03.benchmarkcenter.megware.com {66,322}
[0] MPI startup(): 67 301152 isix03.benchmarkcenter.megware.com {67,323}
[0] MPI startup(): 68 301195 isix03.benchmarkcenter.megware.com {68,324}
[0] MPI startup(): 69 301262 isix03.benchmarkcenter.megware.com {69,325}
[0] MPI startup(): 70 301215 isix03.benchmarkcenter.megware.com {70,326}
[0] MPI startup(): 71 301217 isix03.benchmarkcenter.megware.com {71,327}
[0] MPI startup(): 72 301231 isix03.benchmarkcenter.megware.com {72,328}
[0] MPI startup(): 73 301232 isix03.benchmarkcenter.megware.com {73,329}
[0] MPI startup(): 74 301100 isix03.benchmarkcenter.megware.com {74,330}
[0] MPI startup(): 75 301102 isix03.benchmarkcenter.megware.com {75,331}
[0] MPI startup(): 76 301252 isix03.benchmarkcenter.megware.com {76,332}
[0] MPI startup(): 77 301312 isix03.benchmarkcenter.megware.com {77,333}
[0] MPI startup(): 78 301227 isix03.benchmarkcenter.megware.com {78,334}
[0] MPI startup(): 79 301280 isix03.benchmarkcenter.megware.com {79,335}
[0] MPI startup(): 80 301294 isix03.benchmarkcenter.megware.com {80,336}
[0] MPI startup(): 81 301211 isix03.benchmarkcenter.megware.com {81,337}
[0] MPI startup(): 82 301313 isix03.benchmarkcenter.megware.com {82,338}
[0] MPI startup(): 83 301310 isix03.benchmarkcenter.megware.com {83,339}
[0] MPI startup(): 84 301080 isix03.benchmarkcenter.megware.com {84,340}
[0] MPI startup(): 85 301257 isix03.benchmarkcenter.megware.com {85,341}
[0] MPI startup(): 86 301108 isix03.benchmarkcenter.megware.com {86,342}
[0] MPI startup(): 87 301241 isix03.benchmarkcenter.megware.com {87,343}
[0] MPI startup(): 88 301208 isix03.benchmarkcenter.megware.com {88,344}
[0] MPI startup(): 89 301126 isix03.benchmarkcenter.megware.com {89,345}
[0] MPI startup(): 90 301295 isix03.benchmarkcenter.megware.com {90,346}
[0] MPI startup(): 91 301301 isix03.benchmarkcenter.megware.com {91,347}
[0] MPI startup(): 92 301253 isix03.benchmarkcenter.megware.com {92,348}
[0] MPI startup(): 93 301278 isix03.benchmarkcenter.megware.com {93,349}
[0] MPI startup(): 94 301279 isix03.benchmarkcenter.megware.com {94,350}
[0] MPI startup(): 95 301214 isix03.benchmarkcenter.megware.com {95,351}
[0] MPI startup(): 96 301264 isix03.benchmarkcenter.megware.com {96,352}
[0] MPI startup(): 97 301164 isix03.benchmarkcenter.megware.com {97,353}
[0] MPI startup(): 98 301124 isix03.benchmarkcenter.megware.com {98,354}
[0] MPI startup(): 99 301204 isix03.benchmarkcenter.megware.com {99,355}
[0] MPI startup(): 100 301117 isix03.benchmarkcenter.megware.com {100,356}
[0] MPI startup(): 101 301192 isix03.benchmarkcenter.megware.com {101,357}
[0] MPI startup(): 102 301156 isix03.benchmarkcenter.megware.com {102,358}
[0] MPI startup(): 103 301296 isix03.benchmarkcenter.megware.com {103,359}
[0] MPI startup(): 104 301314 isix03.benchmarkcenter.megware.com {104,360}
[0] MPI startup(): 105 301234 isix03.benchmarkcenter.megware.com {105,361}
[0] MPI startup(): 106 301070 isix03.benchmarkcenter.megware.com {106,362}
[0] MPI startup(): 107 301276 isix03.benchmarkcenter.megware.com {107,363}
[0] MPI startup(): 108 301107 isix03.benchmarkcenter.megware.com {108,364}
[0] MPI startup(): 109 301304 isix03.benchmarkcenter.megware.com {109,365}
[0] MPI startup(): 110 301188 isix03.benchmarkcenter.megware.com {110,366}
[0] MPI startup(): 111 301162 isix03.benchmarkcenter.megware.com {111,367}
[0] MPI startup(): 112 301281 isix03.benchmarkcenter.megware.com {112,368}
[0] MPI startup(): 113 301225 isix03.benchmarkcenter.megware.com {113,369}
[0] MPI startup(): 114 301171 isix03.benchmarkcenter.megware.com {114,370}
[0] MPI startup(): 115 301063 isix03.benchmarkcenter.megware.com {115,371}
[0] MPI startup(): 116 301266 isix03.benchmarkcenter.megware.com {116,372}
[0] MPI startup(): 117 301130 isix03.benchmarkcenter.megware.com {117,373}
[0] MPI startup(): 118 301286 isix03.benchmarkcenter.megware.com {118,374}
[0] MPI startup(): 119 301065 isix03.benchmarkcenter.megware.com {119,375}
[0] MPI startup(): 120 301127 isix03.benchmarkcenter.megware.com {120,376}
[0] MPI startup(): 121 301238 isix03.benchmarkcenter.megware.com {121,377}
[0] MPI startup(): 122 301244 isix03.benchmarkcenter.megware.com {122,378}
[0] MPI startup(): 123 301096 isix03.benchmarkcenter.megware.com {123,379}
[0] MPI startup(): 124 301151 isix03.benchmarkcenter.megware.com {124,380}
[0] MPI startup(): 125 301132 isix03.benchmarkcenter.megware.com {125,381}
[0] MPI startup(): 126 301120 isix03.benchmarkcenter.megware.com {126,382}
[0] MPI startup(): 127 301268 isix03.benchmarkcenter.megware.com {127,383}
[0] MPI startup(): 128 301243 isix03.benchmarkcenter.megware.com {128,384}
[0] MPI startup(): 129 301078 isix03.benchmarkcenter.megware.com {129,385}
[0] MPI startup(): 130 301101 isix03.benchmarkcenter.megware.com {130,386}
[0] MPI startup(): 131 301299 isix03.benchmarkcenter.megware.com {131,387}
[0] MPI startup(): 132 301175 isix03.benchmarkcenter.megware.com {132,388}
[0] MPI startup(): 133 301122 isix03.benchmarkcenter.megware.com {133,389}
[0] MPI startup(): 134 301178 isix03.benchmarkcenter.megware.com {134,390}
[0] MPI startup(): 135 301146 isix03.benchmarkcenter.megware.com {135,391}
[0] MPI startup(): 136 301157 isix03.benchmarkcenter.megware.com {136,392}
[0] MPI startup(): 137 301219 isix03.benchmarkcenter.megware.com {137,393}
[0] MPI startup(): 138 301300 isix03.benchmarkcenter.megware.com {138,394}
[0] MPI startup(): 139 301297 isix03.benchmarkcenter.megware.com {139,395}
[0] MPI startup(): 140 301143 isix03.benchmarkcenter.megware.com {140,396}
[0] MPI startup(): 141 301239 isix03.benchmarkcenter.megware.com {141,397}
[0] MPI startup(): 142 301112 isix03.benchmarkcenter.megware.com {142,398}
[0] MPI startup(): 143 301224 isix03.benchmarkcenter.megware.com {143,399}
[0] MPI startup(): 144 301185 isix03.benchmarkcenter.megware.com {144,400}
[0] MPI startup(): 145 301170 isix03.benchmarkcenter.megware.com {145,401}
[0] MPI startup(): 146 301137 isix03.benchmarkcenter.megware.com {146,402}
[0] MPI startup(): 147 301110 isix03.benchmarkcenter.megware.com {147,403}
[0] MPI startup(): 148 301163 isix03.benchmarkcenter.megware.com {148,404}
[0] MPI startup(): 149 301125 isix03.benchmarkcenter.megware.com {149,405}
[0] MPI startup(): 150 301269 isix03.benchmarkcenter.megware.com {150,406}
[0] MPI startup(): 151 301165 isix03.benchmarkcenter.megware.com {151,407}
[0] MPI startup(): 152 301193 isix03.benchmarkcenter.megware.com {152,408}
[0] MPI startup(): 153 301194 isix03.benchmarkcenter.megware.com {153,409}
[0] MPI startup(): 154 301273 isix03.benchmarkcenter.megware.com {154,410}
[0] MPI startup(): 155 301196 isix03.benchmarkcenter.megware.com {155,411}
[0] MPI startup(): 156 301186 isix03.benchmarkcenter.megware.com {156,412}
[0] MPI startup(): 157 301218 isix03.benchmarkcenter.megware.com {157,413}
[0] MPI startup(): 158 301150 isix03.benchmarkcenter.megware.com {158,414}
[0] MPI startup(): 159 301060 isix03.benchmarkcenter.megware.com {159,415}
[0] MPI startup(): 160 301094 isix03.benchmarkcenter.megware.com {160,416}
[0] MPI startup(): 161 301059 isix03.benchmarkcenter.megware.com {161,417}
[0] MPI startup(): 162 301084 isix03.benchmarkcenter.megware.com {162,418}
[0] MPI startup(): 163 301200 isix03.benchmarkcenter.megware.com {163,419}
[0] MPI startup(): 164 301174 isix03.benchmarkcenter.megware.com {164,420}
[0] MPI startup(): 165 301187 isix03.benchmarkcenter.megware.com {165,421}
[0] MPI startup(): 166 301161 isix03.benchmarkcenter.megware.com {166,422}
[0] MPI startup(): 167 301285 isix03.benchmarkcenter.megware.com {167,423}
[0] MPI startup(): 168 301073 isix03.benchmarkcenter.megware.com {168,424}
[0] MPI startup(): 169 301212 isix03.benchmarkcenter.megware.com {169,425}
[0] MPI startup(): 170 301144 isix03.benchmarkcenter.megware.com {170,426}
[0] MPI startup(): 171 301221 isix03.benchmarkcenter.megware.com {171,427}
[0] MPI startup(): 172 301184 isix03.benchmarkcenter.megware.com {172,428}
[0] MPI startup(): 173 301216 isix03.benchmarkcenter.megware.com {173,429}
[0] MPI startup(): 174 301113 isix03.benchmarkcenter.megware.com {174,430}
[0] MPI startup(): 175 301176 isix03.benchmarkcenter.megware.com {175,431}
[0] MPI startup(): 176 301263 isix03.benchmarkcenter.megware.com {176,432}
[0] MPI startup(): 177 301061 isix03.benchmarkcenter.megware.com {177,433}
[0] MPI startup(): 178 301179 isix03.benchmarkcenter.megware.com {178,434}
[0] MPI startup(): 179 301202 isix03.benchmarkcenter.megware.com {179,435}
[0] MPI startup(): 180 301082 isix03.benchmarkcenter.megware.com {180,436}
[0] MPI startup(): 181 301092 isix03.benchmarkcenter.megware.com {181,437}
[0] MPI startup(): 182 301081 isix03.benchmarkcenter.megware.com {182,438}
[0] MPI startup(): 183 301191 isix03.benchmarkcenter.megware.com {183,439}
[0] MPI startup(): 184 301173 isix03.benchmarkcenter.megware.com {184,440}
[0] MPI startup(): 185 301284 isix03.benchmarkcenter.megware.com {185,441}
[0] MPI startup(): 186 301181 isix03.benchmarkcenter.megware.com {186,442}
[0] MPI startup(): 187 301182 isix03.benchmarkcenter.megware.com {187,443}
[0] MPI startup(): 188 301090 isix03.benchmarkcenter.megware.com {188,444}
[0] MPI startup(): 189 301075 isix03.benchmarkcenter.megware.com {189,445}
[0] MPI startup(): 190 301111 isix03.benchmarkcenter.megware.com {190,446}
[0] MPI startup(): 191 301177 isix03.benchmarkcenter.megware.com {191,447}
[0] MPI startup(): 192 301076 isix03.benchmarkcenter.megware.com {192,448}
[0] MPI startup(): 193 301255 isix03.benchmarkcenter.megware.com {193,449}
[0] MPI startup(): 194 301229 isix03.benchmarkcenter.megware.com {194,450}
[0] MPI startup(): 195 301246 isix03.benchmarkcenter.megware.com {195,451}
[0] MPI startup(): 196 301249 isix03.benchmarkcenter.megware.com {196,452}
[0] MPI startup(): 197 301105 isix03.benchmarkcenter.megware.com {197,453}
[0] MPI startup(): 198 301118 isix03.benchmarkcenter.megware.com {198,454}
[0] MPI startup(): 199 301180 isix03.benchmarkcenter.megware.com {199,455}
[0] MPI startup(): 200 301166 isix03.benchmarkcenter.megware.com {200,456}
[0] MPI startup(): 201 301093 isix03.benchmarkcenter.megware.com {201,457}
[0] MPI startup(): 202 301069 isix03.benchmarkcenter.megware.com {202,458}
[0] MPI startup(): 203 301274 isix03.benchmarkcenter.megware.com {203,459}
[0] MPI startup(): 204 301091 isix03.benchmarkcenter.megware.com {204,460}
[0] MPI startup(): 205 301141 isix03.benchmarkcenter.megware.com {205,461}
[0] MPI startup(): 206 301086 isix03.benchmarkcenter.megware.com {206,462}
[0] MPI startup(): 207 301206 isix03.benchmarkcenter.megware.com {207,463}
[0] MPI startup(): 208 301210 isix03.benchmarkcenter.megware.com {208,464}
[0] MPI startup(): 209 301072 isix03.benchmarkcenter.megware.com {209,465}
[0] MPI startup(): 210 301097 isix03.benchmarkcenter.megware.com {210,466}
[0] MPI startup(): 211 301190 isix03.benchmarkcenter.megware.com {211,467}
[0] MPI startup(): 212 301167 isix03.benchmarkcenter.megware.com {212,468}
[0] MPI startup(): 213 301149 isix03.benchmarkcenter.megware.com {213,469}
[0] MPI startup(): 214 301106 isix03.benchmarkcenter.megware.com {214,470}
[0] MPI startup(): 215 301250 isix03.benchmarkcenter.megware.com {215,471}
[0] MPI startup(): 216 301311 isix03.benchmarkcenter.megware.com {216,472}
[0] MPI startup(): 217 301109 isix03.benchmarkcenter.megware.com {217,473}
[0] MPI startup(): 218 301066 isix03.benchmarkcenter.megware.com {218,474}
[0] MPI startup(): 219 301155 isix03.benchmarkcenter.megware.com {219,475}
[0] MPI startup(): 220 301058 isix03.benchmarkcenter.megware.com {220,476}
[0] MPI startup(): 221 301067 isix03.benchmarkcenter.megware.com {221,477}
[0] MPI startup(): 222 301248 isix03.benchmarkcenter.megware.com {222,478}
[0] MPI startup(): 223 301254 isix03.benchmarkcenter.megware.com {223,479}
[0] MPI startup(): 224 301197 isix03.benchmarkcenter.megware.com {224,480}
[0] MPI startup(): 225 301079 isix03.benchmarkcenter.megware.com {225,481}
[0] MPI startup(): 226 301136 isix03.benchmarkcenter.megware.com {226,482}
[0] MPI startup(): 227 301220 isix03.benchmarkcenter.megware.com {227,483}
[0] MPI startup(): 228 301272 isix03.benchmarkcenter.megware.com {228,484}
[0] MPI startup(): 229 301247 isix03.benchmarkcenter.megware.com {229,485}
[0] MPI startup(): 230 301240 isix03.benchmarkcenter.megware.com {230,486}
[0] MPI startup(): 231 301270 isix03.benchmarkcenter.megware.com {231,487}
[0] MPI startup(): 232 301071 isix03.benchmarkcenter.megware.com {232,488}
[0] MPI startup(): 233 301089 isix03.benchmarkcenter.megware.com {233,489}
[0] MPI startup(): 234 301275 isix03.benchmarkcenter.megware.com {234,490}
[0] MPI startup(): 235 301121 isix03.benchmarkcenter.megware.com {235,491}
[0] MPI startup(): 236 301307 isix03.benchmarkcenter.megware.com {236,492}
[0] MPI startup(): 237 301308 isix03.benchmarkcenter.megware.com {237,493}
[0] MPI startup(): 238 301062 isix03.benchmarkcenter.megware.com {238,494}
[0] MPI startup(): 239 301209 isix03.benchmarkcenter.megware.com {239,495}
[0] MPI startup(): 240 301088 isix03.benchmarkcenter.megware.com {240,496}
[0] MPI startup(): 241 301169 isix03.benchmarkcenter.megware.com {241,497}
[0] MPI startup(): 242 301291 isix03.benchmarkcenter.megware.com {242,498}
[0] MPI startup(): 243 301129 isix03.benchmarkcenter.megware.com {243,499}
[0] MPI startup(): 244 301114 isix03.benchmarkcenter.megware.com {244,500}
[0] MPI startup(): 245 301159 isix03.benchmarkcenter.megware.com {245,501}
[0] MPI startup(): 246 301138 isix03.benchmarkcenter.megware.com {246,502}
[0] MPI startup(): 247 301298 isix03.benchmarkcenter.megware.com {247,503}
[0] MPI startup(): 248 301233 isix03.benchmarkcenter.megware.com {248,504}
[0] MPI startup(): 249 301267 isix03.benchmarkcenter.megware.com {249,505}
[0] MPI startup(): 250 301261 isix03.benchmarkcenter.megware.com {250,506}
[0] MPI startup(): 251 301289 isix03.benchmarkcenter.megware.com {251,507}
[0] MPI startup(): 252 301119 isix03.benchmarkcenter.megware.com {252,508}
[0] MPI startup(): 253 301115 isix03.benchmarkcenter.megware.com {253,509}
[0] MPI startup(): 254 301302 isix03.benchmarkcenter.megware.com {254,510}
[0] MPI startup(): 255 301183 isix03.benchmarkcenter.megware.com {255,511}
OMP: pid 301183 tid 301183 thread 0 bound to OS proc set {255}
OMP: pid 301066 tid 301066 thread 0 bound to OS proc set {218}
OMP: pid 301261 tid 301261 thread 0 bound to OS proc set {250}
OMP: pid 301176 tid 301176 thread 0 bound to OS proc set {175}
OMP: pid 301151 tid 301151 thread 0 bound to OS proc set {124}
OMP: pid 301093 tid 301093 thread 0 bound to OS proc set {201}
OMP: pid 301224 tid 301224 thread 0 bound to OS proc set {143}
OMP: pid 301229 tid 301229 thread 0 bound to OS proc set {194}
OMP: pid 301195 tid 301195 thread 0 bound to OS proc set {68}
OMP: pid 301298 tid 301298 thread 0 bound to OS proc set {247}
OMP: pid 301061 tid 301061 thread 0 bound to OS proc set {177}
OMP: pid 301082 tid 301082 thread 0 bound to OS proc set {180}
OMP: pid 301284 tid 301284 thread 0 bound to OS proc set {185}
OMP: pid 301271 tid 301271 thread 0 bound to OS proc set {24}
OMP: pid 301239 tid 301239 thread 0 bound to OS proc set {141}
OMP: pid 301094 tid 301094 thread 0 bound to OS proc set {160}
OMP: pid 301087 tid 301087 thread 0 bound to OS proc set {40}
OMP: pid 301160 tid 301160 thread 0 bound to OS proc set {22}
OMP: pid 301073 tid 301073 thread 0 bound to OS proc set {168}
OMP: pid 301212 tid 301212 thread 0 bound to OS proc set {169}
OMP: pid 301092 tid 301092 thread 0 bound to OS proc set {181}
OMP: pid 301309 tid 301309 thread 0 bound to OS proc set {65}
OMP: pid 301141 tid 301141 thread 0 bound to OS proc set {205}
OMP: pid 301181 tid 301181 thread 0 bound to OS proc set {186}
OMP: pid 301074 tid 301074 thread 0 bound to OS proc set {0}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
OMP: pid 301118 tid 301118 thread 0 bound to OS proc set {198}
OMP: pid 301186 tid 301186 thread 0 bound to OS proc set {156}
OMP: pid 301242 tid 301242 thread 0 bound to OS proc set {33}
OMP: pid 301110 tid 301110 thread 0 bound to OS proc set {147}
OMP: pid 301287 tid 301287 thread 0 bound to OS proc set {13}
OMP: pid 301133 tid 301133 thread 0 bound to OS proc set {35}
OMP: pid 301236 tid 301236 thread 0 bound to OS proc set {52}
OMP: pid 301182 tid 301182 thread 0 bound to OS proc set {187}
OMP: pid 301304 tid 301304 thread 0 bound to OS proc set {109}
OMP: pid 301112 tid 301112 thread 0 bound to OS proc set {142}
OMP: pid 301174 tid 301174 thread 0 bound to OS proc set {164}
OMP: pid 301291 tid 301291 thread 0 bound to OS proc set {242}
OMP: pid 301057 tid 301057 thread 0 bound to OS proc set {8}
OMP: pid 301225 tid 301225 thread 0 bound to OS proc set {113}
OMP: pid 301279 tid 301279 thread 0 bound to OS proc set {94}
OMP: pid 301281 tid 301281 thread 0 bound to OS proc set {112}
OMP: pid 301294 tid 301294 thread 0 bound to OS proc set {80}
OMP: pid 301247 tid 301247 thread 0 bound to OS proc set {229}
OMP: pid 301131 tid 301131 thread 0 bound to OS proc set {39}
OMP: pid 301302 tid 301302 thread 0 bound to OS proc set {254}
OMP: pid 301065 tid 301065 thread 0 bound to OS proc set {119}
OMP: pid 301228 tid 301228 thread 0 bound to OS proc set {32}
OMP: pid 301104 tid 301104 thread 0 bound to OS proc set {46}
OMP: pid 301257 tid 301257 thread 0 bound to OS proc set {85}
OMP: pid 301221 tid 301221 thread 0 bound to OS proc set {171}
OMP: pid 301077 tid 301077 thread 0 bound to OS proc set {59}
OMP: pid 301083 tid 301083 thread 0 bound to OS proc set {51}
OMP: pid 301233 tid 301233 thread 0 bound to OS proc set {248}
OMP: pid 301144 tid 301144 thread 0 bound to OS proc set {170}
OMP: pid 301150 tid 301150 thread 0 bound to OS proc set {158}
OMP: pid 301308 tid 301308 thread 0 bound to OS proc set {237}
OMP: pid 301292 tid 301292 thread 0 bound to OS proc set {27}
OMP: pid 301089 tid 301089 thread 0 bound to OS proc set {233}
OMP: pid 301157 tid 301157 thread 0 bound to OS proc set {136}
OMP: pid 301201 tid 301201 thread 0 bound to OS proc set {14}
OMP: pid 301296 tid 301296 thread 0 bound to OS proc set {103}
OMP: pid 301143 tid 301143 thread 0 bound to OS proc set {140}
OMP: pid 301154 tid 301154 thread 0 bound to OS proc set {66}
OMP: pid 301313 tid 301313 thread 0 bound to OS proc set {82}
OMP: pid 301165 tid 301165 thread 0 bound to OS proc set {151}
OMP: pid 301268 tid 301268 thread 0 bound to OS proc set {127}
OMP: pid 301134 tid 301134 thread 0 bound to OS proc set {23}
OMP: pid 301243 tid 301243 thread 0 bound to OS proc set {128}
OMP: pid 301300 tid 301300 thread 0 bound to OS proc set {138}
OMP: pid 301316 tid 301316 thread 0 bound to OS proc set {34}
OMP: pid 301240 tid 301240 thread 0 bound to OS proc set {230}
OMP: pid 301227 tid 301227 thread 0 bound to OS proc set {78}
OMP: pid 301116 tid 301116 thread 0 bound to OS proc set {15}
OMP: pid 301076 tid 301076 thread 0 bound to OS proc set {192}
OMP: pid 301250 tid 301250 thread 0 bound to OS proc set {215}
OMP: pid 301098 tid 301098 thread 0 bound to OS proc set {11}
OMP: pid 301068 tid 301068 thread 0 bound to OS proc set {2}
OMP: pid 301276 tid 301276 thread 0 bound to OS proc set {107}
OMP: pid 301132 tid 301132 thread 0 bound to OS proc set {125}
OMP: pid 301096 tid 301096 thread 0 bound to OS proc set {123}
OMP: pid 301171 tid 301171 thread 0 bound to OS proc set {114}
OMP: pid 301293 tid 301293 thread 0 bound to OS proc set {3}
OMP: pid 301222 tid 301222 thread 0 bound to OS proc set {26}
OMP: pid 301138 tid 301138 thread 0 bound to OS proc set {246}
OMP: pid 301058 tid 301058 thread 0 bound to OS proc set {220}
OMP: pid 301095 tid 301095 thread 0 bound to OS proc set {30}
OMP: pid 301167 tid 301167 thread 0 bound to OS proc set {212}
OMP: pid 301278 tid 301278 thread 0 bound to OS proc set {93}
OMP: pid 301136 tid 301136 thread 0 bound to OS proc set {226}
OMP: pid 301137 tid 301137 thread 0 bound to OS proc set {146}
OMP: pid 301209 tid 301209 thread 0 bound to OS proc set {239}
OMP: pid 301115 tid 301115 thread 0 bound to OS proc set {253}
OMP: pid 301123 tid 301123 thread 0 bound to OS proc set {56}
OMP: pid 301203 tid 301203 thread 0 bound to OS proc set {63}
OMP: pid 301081 tid 301081 thread 0 bound to OS proc set {182}
OMP: pid 301180 tid 301180 thread 0 bound to OS proc set {199}
OMP: pid 301111 tid 301111 thread 0 bound to OS proc set {190}
OMP: pid 301202 tid 301202 thread 0 bound to OS proc set {179}
OMP: pid 301193 tid 301193 thread 0 bound to OS proc set {152}
OMP: pid 301189 tid 301189 thread 0 bound to OS proc set {37}
OMP: pid 301204 tid 301204 thread 0 bound to OS proc set {99}
OMP: pid 301272 tid 301272 thread 0 bound to OS proc set {228}
OMP: pid 301241 tid 301241 thread 0 bound to OS proc set {87}
OMP: pid 301124 tid 301124 thread 0 bound to OS proc set {98}
OMP: pid 301311 tid 301311 thread 0 bound to OS proc set {216}
OMP: pid 301197 tid 301197 thread 0 bound to OS proc set {224}
OMP: pid 301101 tid 301101 thread 0 bound to OS proc set {130}
OMP: pid 301277 tid 301277 thread 0 bound to OS proc set {57}
OMP: pid 301270 tid 301270 thread 0 bound to OS proc set {231}
OMP: pid 301253 tid 301253 thread 0 bound to OS proc set {92}
OMP: pid 301159 tid 301159 thread 0 bound to OS proc set {245}
OMP: pid 301063 tid 301063 thread 0 bound to OS proc set {115}
OMP: pid 301299 tid 301299 thread 0 bound to OS proc set {131}
OMP: pid 301109 tid 301109 thread 0 bound to OS proc set {217}
OMP: pid 301216 tid 301216 thread 0 bound to OS proc set {173}
OMP: pid 301312 tid 301312 thread 0 bound to OS proc set {77}
OMP: pid 301290 tid 301290 thread 0 bound to OS proc set {44}
OMP: pid 301187 tid 301187 thread 0 bound to OS proc set {165}
OMP: pid 301140 tid 301140 thread 0 bound to OS proc set {9}
OMP: pid 301107 tid 301107 thread 0 bound to OS proc set {108}
OMP: pid 301175 tid 301175 thread 0 bound to OS proc set {132}
OMP: pid 301108 tid 301108 thread 0 bound to OS proc set {86}
OMP: pid 301090 tid 301090 thread 0 bound to OS proc set {188}
OMP: pid 301266 tid 301266 thread 0 bound to OS proc set {116}
OMP: pid 301210 tid 301210 thread 0 bound to OS proc set {208}
OMP: pid 301264 tid 301264 thread 0 bound to OS proc set {96}
OMP: pid 301158 tid 301158 thread 0 bound to OS proc set {42}
OMP: pid 301129 tid 301129 thread 0 bound to OS proc set {243}
OMP: pid 301121 tid 301121 thread 0 bound to OS proc set {235}
OMP: pid 301072 tid 301072 thread 0 bound to OS proc set {209}
OMP: pid 301248 tid 301248 thread 0 bound to OS proc set {222}
OMP: pid 301185 tid 301185 thread 0 bound to OS proc set {144}
OMP: pid 301303 tid 301303 thread 0 bound to OS proc set {36}
OMP: pid 301199 tid 301199 thread 0 bound to OS proc set {20}
OMP: pid 301198 tid 301198 thread 0 bound to OS proc set {4}
OMP: pid 301259 tid 301259 thread 0 bound to OS proc set {64}
OMP: pid 301173 tid 301173 thread 0 bound to OS proc set {184}
OMP: pid 301255 tid 301255 thread 0 bound to OS proc set {193}
OMP: pid 301213 tid 301213 thread 0 bound to OS proc set {25}
OMP: pid 301288 tid 301288 thread 0 bound to OS proc set {61}
OMP: pid 301155 tid 301155 thread 0 bound to OS proc set {219}
OMP: pid 301192 tid 301192 thread 0 bound to OS proc set {101}
OMP: pid 301285 tid 301285 thread 0 bound to OS proc set {167}
OMP: pid 301119 tid 301119 thread 0 bound to OS proc set {252}
OMP: pid 301274 tid 301274 thread 0 bound to OS proc set {203}
OMP: pid 301280 tid 301280 thread 0 bound to OS proc set {79}
OMP: pid 301135 tid 301135 thread 0 bound to OS proc set {7}
OMP: pid 301306 tid 301306 thread 0 bound to OS proc set {43}
OMP: pid 301127 tid 301127 thread 0 bound to OS proc set {120}
OMP: pid 301286 tid 301286 thread 0 bound to OS proc set {118}
OMP: pid 301188 tid 301188 thread 0 bound to OS proc set {110}
OMP: pid 301230 tid 301230 thread 0 bound to OS proc set {55}
OMP: pid 301139 tid 301139 thread 0 bound to OS proc set {41}
OMP: pid 301262 tid 301262 thread 0 bound to OS proc set {69}
OMP: pid 301282 tid 301282 thread 0 bound to OS proc set {60}
OMP: pid 301191 tid 301191 thread 0 bound to OS proc set {183}
OMP: pid 301071 tid 301071 thread 0 bound to OS proc set {232}
OMP: pid 301196 tid 301196 thread 0 bound to OS proc set {155}
OMP: pid 301080 tid 301080 thread 0 bound to OS proc set {84}
OMP: pid 301164 tid 301164 thread 0 bound to OS proc set {97}
OMP: pid 301075 tid 301075 thread 0 bound to OS proc set {189}
OMP: pid 301267 tid 301267 thread 0 bound to OS proc set {249}
OMP: pid 301149 tid 301149 thread 0 bound to OS proc set {213}
OMP: pid 301305 tid 301305 thread 0 bound to OS proc set {45}
OMP: pid 301314 tid 301314 thread 0 bound to OS proc set {104}
OMP: pid 301145 tid 301145 thread 0 bound to OS proc set {12}
OMP: pid 301105 tid 301105 thread 0 bound to OS proc set {197}
OMP: pid 301120 tid 301120 thread 0 bound to OS proc set {126}
OMP: pid 301219 tid 301219 thread 0 bound to OS proc set {137}
OMP: pid 301152 tid 301152 thread 0 bound to OS proc set {67}
OMP: pid 301205 tid 301205 thread 0 bound to OS proc set {10}
OMP: pid 301172 tid 301172 thread 0 bound to OS proc set {62}
OMP: pid 301091 tid 301091 thread 0 bound to OS proc set {204}
OMP: pid 301148 tid 301148 thread 0 bound to OS proc set {16}
OMP: pid 301085 tid 301085 thread 0 bound to OS proc set {47}
OMP: pid 301289 tid 301289 thread 0 bound to OS proc set {251}
OMP: pid 301099 tid 301099 thread 0 bound to OS proc set {17}
OMP: pid 301256 tid 301256 thread 0 bound to OS proc set {53}
OMP: pid 301125 tid 301125 thread 0 bound to OS proc set {149}
OMP: pid 301153 tid 301153 thread 0 bound to OS proc set {48}
OMP: pid 301062 tid 301062 thread 0 bound to OS proc set {238}
OMP: pid 301170 tid 301170 thread 0 bound to OS proc set {145}
OMP: pid 301163 tid 301163 thread 0 bound to OS proc set {148}
OMP: pid 301226 tid 301226 thread 0 bound to OS proc set {5}
OMP: pid 301238 tid 301238 thread 0 bound to OS proc set {121}
OMP: pid 301254 tid 301254 thread 0 bound to OS proc set {223}
OMP: pid 301162 tid 301162 thread 0 bound to OS proc set {111}
OMP: pid 301078 tid 301078 thread 0 bound to OS proc set {129}
OMP: pid 301059 tid 301059 thread 0 bound to OS proc set {161}
OMP: pid 301215 tid 301215 thread 0 bound to OS proc set {70}
OMP: pid 301265 tid 301265 thread 0 bound to OS proc set {31}
OMP: pid 301100 tid 301100 thread 0 bound to OS proc set {74}
OMP: pid 301244 tid 301244 thread 0 bound to OS proc set {122}
OMP: pid 301184 tid 301184 thread 0 bound to OS proc set {172}
OMP: pid 301103 tid 301103 thread 0 bound to OS proc set {49}
OMP: pid 301146 tid 301146 thread 0 bound to OS proc set {135}
OMP: pid 301097 tid 301097 thread 0 bound to OS proc set {210}
OMP: pid 301235 tid 301235 thread 0 bound to OS proc set {1}
OMP: pid 301315 tid 301315 thread 0 bound to OS proc set {58}
OMP: pid 301275 tid 301275 thread 0 bound to OS proc set {234}
OMP: pid 301223 tid 301223 thread 0 bound to OS proc set {19}
OMP: pid 301232 tid 301232 thread 0 bound to OS proc set {73}
OMP: pid 301166 tid 301166 thread 0 bound to OS proc set {200}
OMP: pid 301079 tid 301079 thread 0 bound to OS proc set {225}
OMP: pid 301084 tid 301084 thread 0 bound to OS proc set {162}
OMP: pid 301214 tid 301214 thread 0 bound to OS proc set {95}
OMP: pid 301269 tid 301269 thread 0 bound to OS proc set {150}
OMP: pid 301297 tid 301297 thread 0 bound to OS proc set {139}
OMP: pid 301245 tid 301245 thread 0 bound to OS proc set {50}
OMP: pid 301190 tid 301190 thread 0 bound to OS proc set {211}
OMP: pid 301246 tid 301246 thread 0 bound to OS proc set {195}
OMP: pid 301211 tid 301211 thread 0 bound to OS proc set {81}
OMP: pid 301069 tid 301069 thread 0 bound to OS proc set {202}
OMP: pid 301301 tid 301301 thread 0 bound to OS proc set {91}
OMP: pid 301102 tid 301102 thread 0 bound to OS proc set {75}
OMP: pid 301283 tid 301283 thread 0 bound to OS proc set {38}
OMP: pid 301194 tid 301194 thread 0 bound to OS proc set {153}
OMP: pid 301206 tid 301206 thread 0 bound to OS proc set {207}
OMP: pid 301178 tid 301178 thread 0 bound to OS proc set {134}
OMP: pid 301067 tid 301067 thread 0 bound to OS proc set {221}
OMP: pid 301113 tid 301113 thread 0 bound to OS proc set {174}
OMP: pid 301064 tid 301064 thread 0 bound to OS proc set {18}
OMP: pid 301217 tid 301217 thread 0 bound to OS proc set {71}
OMP: pid 301070 tid 301070 thread 0 bound to OS proc set {106}
OMP: pid 301126 tid 301126 thread 0 bound to OS proc set {89}
OMP: pid 301177 tid 301177 thread 0 bound to OS proc set {191}
OMP: pid 301252 tid 301252 thread 0 bound to OS proc set {76}
OMP: pid 301234 tid 301234 thread 0 bound to OS proc set {105}
OMP: pid 301273 tid 301273 thread 0 bound to OS proc set {154}
OMP: pid 301310 tid 301310 thread 0 bound to OS proc set {83}
OMP: pid 301231 tid 301231 thread 0 bound to OS proc set {72}
OMP: pid 301086 tid 301086 thread 0 bound to OS proc set {206}
OMP: pid 301161 tid 301161 thread 0 bound to OS proc set {166}
OMP: pid 301106 tid 301106 thread 0 bound to OS proc set {214}
OMP: pid 301307 tid 301307 thread 0 bound to OS proc set {236}
OMP: pid 301142 tid 301142 thread 0 bound to OS proc set {29}
OMP: pid 301168 tid 301168 thread 0 bound to OS proc set {54}
OMP: pid 301130 tid 301130 thread 0 bound to OS proc set {117}
OMP: pid 301060 tid 301060 thread 0 bound to OS proc set {159}
OMP: pid 301088 tid 301088 thread 0 bound to OS proc set {240}
OMP: pid 301251 tid 301251 thread 0 bound to OS proc set {6}
OMP: pid 301258 tid 301258 thread 0 bound to OS proc set {28}
OMP: pid 301208 tid 301208 thread 0 bound to OS proc set {88}
OMP: pid 301122 tid 301122 thread 0 bound to OS proc set {133}
OMP: pid 301218 tid 301218 thread 0 bound to OS proc set {157}
OMP: pid 301200 tid 301200 thread 0 bound to OS proc set {163}
OMP: pid 301156 tid 301156 thread 0 bound to OS proc set {102}
OMP: pid 301220 tid 301220 thread 0 bound to OS proc set {227}
OMP: pid 301117 tid 301117 thread 0 bound to OS proc set {100}
OMP: pid 301295 tid 301295 thread 0 bound to OS proc set {90}
OMP: pid 301263 tid 301263 thread 0 bound to OS proc set {176}
OMP: pid 301114 tid 301114 thread 0 bound to OS proc set {244}
OMP: pid 301260 tid 301260 thread 0 bound to OS proc set {21}
OMP: pid 301179 tid 301179 thread 0 bound to OS proc set {178}
OMP: pid 301249 tid 301249 thread 0 bound to OS proc set {196}
OMP: pid 301169 tid 301169 thread 0 bound to OS proc set {241}
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 = 0.374 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 53.28 | 54.25 | 55.65 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599872e+08 0 -1.0922177e+08 18704.157
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
Loop time of 1.56304 on 256 procs for 10 steps with 32768000 atoms
Performance: 2.764 ns/day, 8.684 hours/ns, 6.398 timesteps/s, 209.643 Matom-step/s
86.5% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0332 | 1.0759 | 1.1766 | 2.0 | 68.83
Neigh | 0.15516 | 0.18114 | 0.20734 | 3.3 | 11.59
Comm | 0.09433 | 0.20177 | 0.28897 | 7.1 | 12.91
Output | 0.019754 | 0.020008 | 0.02683 | 0.3 | 1.28
Modify | 0.018604 | 0.031806 | 0.055259 | 3.9 | 2.03
Other | | 0.05241 | | | 3.35
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 23 35 43 63 27 24 13 5
Neighs: 4.81815e+06 ave 4.84288e+06 max 4.79424e+06 min
Histogram: 26 42 51 9 0 0 18 49 44 17
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 53.49 | 54.31 | 55.65 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 95.5351 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.261 ns/day, 10.615 hours/ns, 5.234 timesteps/s, 171.497 Matom-step/s
98.7% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 68.15 | 70.148 | 75.911 | 11.2 | 73.43
Neigh | 14.322 | 14.912 | 16.562 | 11.3 | 15.61
Comm | 1.43 | 6.6704 | 11.093 | 50.6 | 6.98
Output | 0.015659 | 0.02093 | 0.033209 | 2.8 | 0.02
Modify | 0.74083 | 1.6255 | 2.2716 | 39.4 | 1.70
Other | | 2.158 | | | 2.26
Nlocal: 128000 ave 128317 max 127675 min
Histogram: 5 16 27 35 40 42 44 23 17 7
Nghost: 49867.6 ave 50192 max 49552 min
Histogram: 7 16 24 44 41 41 35 26 17 5
Neighs: 4.83163e+06 ave 4.86159e+06 max 4.79896e+06 min
Histogram: 5 19 37 39 21 18 39 39 33 6
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:40
[MAQAO] Info: 167/256 lprof instances finished
[MAQAO] Info: 226/256 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
#####################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/multicore/icx/oneview_results_1758062206/tools/lprof_npsu_run_9 #
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