* [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 2021.14 Build 20240911 (id: b3fc682)
[0] MPI startup(): Copyright (C) 2003-2024 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2025.0.0/mpi/2021.14/opt/mpi/etc/tuning_gnr_shm.dat"
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 186083 isix03.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 186071 isix03.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 186040 isix03.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 186043 isix03.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 186076 isix03.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 186077 isix03.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 186184 isix03.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 186042 isix03.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 186264 isix03.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 186072 isix03.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 186056 isix03.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 186148 isix03.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 186112 isix03.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 186129 isix03.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 186113 isix03.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 186041 isix03.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 186135 isix03.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 186070 isix03.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 186085 isix03.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 186084 isix03.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 186279 isix03.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 186044 isix03.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 186096 isix03.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 186075 isix03.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 186271 isix03.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 186183 isix03.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 186089 isix03.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 186199 isix03.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 186073 isix03.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 186074 isix03.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 186125 isix03.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 186069 isix03.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 186130 isix03.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 186093 isix03.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 186236 isix03.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 186238 isix03.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 186087 isix03.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 186058 isix03.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 186088 isix03.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 186258 isix03.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 186278 isix03.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 186247 isix03.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 186260 isix03.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 186257 isix03.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 186206 isix03.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 186280 isix03.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 186268 isix03.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 186116 isix03.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 186122 isix03.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 186171 isix03.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 186252 isix03.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 186095 isix03.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 186050 isix03.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 186223 isix03.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 186160 isix03.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 186139 isix03.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 186136 isix03.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 186244 isix03.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 186173 isix03.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 186163 isix03.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 186276 isix03.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 186187 isix03.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 186197 isix03.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 186239 isix03.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 186049 isix03.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 186121 isix03.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 186291 isix03.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 186221 isix03.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 186275 isix03.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 186053 isix03.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 186248 isix03.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 186281 isix03.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 186292 isix03.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 186091 isix03.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 186147 isix03.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 186080 isix03.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 186166 isix03.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 186151 isix03.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 186150 isix03.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 186114 isix03.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 186246 isix03.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 186123 isix03.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 186127 isix03.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 186262 isix03.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 186277 isix03.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 186052 isix03.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 186107 isix03.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 186086 isix03.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 186232 isix03.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 186155 isix03.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 186090 isix03.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 186120 isix03.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 186235 isix03.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 186055 isix03.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 186158 isix03.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 186172 isix03.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 186106 isix03.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 186169 isix03.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 186118 isix03.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 186175 isix03.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 186180 isix03.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 186126 isix03.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 186225 isix03.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 186233 isix03.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 186242 isix03.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 186189 isix03.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 186154 isix03.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 186168 isix03.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 186282 isix03.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 186054 isix03.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 186231 isix03.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 186097 isix03.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 186288 isix03.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 186293 isix03.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 186137 isix03.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 186146 isix03.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 186237 isix03.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 186062 isix03.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 186057 isix03.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 186272 isix03.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 186161 isix03.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 186156 isix03.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 186157 isix03.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 186190 isix03.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 186082 isix03.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 186143 isix03.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 186270 isix03.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 186230 isix03.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 186131 isix03.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 186219 isix03.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 186117 isix03.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 186159 isix03.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 186067 isix03.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 186202 isix03.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 186132 isix03.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 186250 isix03.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 186094 isix03.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 186265 isix03.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 186101 isix03.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 186066 isix03.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 186102 isix03.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 186200 isix03.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 186284 isix03.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 186254 isix03.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 186245 isix03.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 186176 isix03.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 186140 isix03.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 186081 isix03.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 186047 isix03.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 186167 isix03.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 186100 isix03.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 186273 isix03.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 186295 isix03.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 186229 isix03.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 186109 isix03.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 186108 isix03.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 186267 isix03.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 186119 isix03.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 186115 isix03.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 186222 isix03.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 186224 isix03.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 186103 isix03.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 186063 isix03.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 186186 isix03.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 186104 isix03.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 186045 isix03.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 186138 isix03.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 186249 isix03.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 186064 isix03.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 186065 isix03.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 186098 isix03.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 186283 isix03.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 186182 isix03.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 186068 isix03.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 186099 isix03.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 186193 isix03.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 186253 isix03.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 186269 isix03.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 186210 isix03.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 186209 isix03.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 186251 isix03.benchmarkcenter.megware.com {180}
[0] MPI startup(): 181 186051 isix03.benchmarkcenter.megware.com {181}
[0] MPI startup(): 182 186243 isix03.benchmarkcenter.megware.com {182}
[0] MPI startup(): 183 186294 isix03.benchmarkcenter.megware.com {183}
[0] MPI startup(): 184 186195 isix03.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 186179 isix03.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 186296 isix03.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 186177 isix03.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 186144 isix03.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 186234 isix03.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 186192 isix03.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 186201 isix03.benchmarkcenter.megware.com {191}
[0] MPI startup(): 192 186079 isix03.benchmarkcenter.megware.com {192}
[0] MPI startup(): 193 186046 isix03.benchmarkcenter.megware.com {193}
[0] MPI startup(): 194 186164 isix03.benchmarkcenter.megware.com {194}
[0] MPI startup(): 195 186240 isix03.benchmarkcenter.megware.com {195}
[0] MPI startup(): 196 186287 isix03.benchmarkcenter.megware.com {196}
[0] MPI startup(): 197 186059 isix03.benchmarkcenter.megware.com {197}
[0] MPI startup(): 198 186263 isix03.benchmarkcenter.megware.com {198}
[0] MPI startup(): 199 186191 isix03.benchmarkcenter.megware.com {199}
[0] MPI startup(): 200 186149 isix03.benchmarkcenter.megware.com {200}
[0] MPI startup(): 201 186286 isix03.benchmarkcenter.megware.com {201}
[0] MPI startup(): 202 186165 isix03.benchmarkcenter.megware.com {202}
[0] MPI startup(): 203 186142 isix03.benchmarkcenter.megware.com {203}
[0] MPI startup(): 204 186198 isix03.benchmarkcenter.megware.com {204}
[0] MPI startup(): 205 186181 isix03.benchmarkcenter.megware.com {205}
[0] MPI startup(): 206 186152 isix03.benchmarkcenter.megware.com {206}
[0] MPI startup(): 207 186204 isix03.benchmarkcenter.megware.com {207}
[0] MPI startup(): 208 186227 isix03.benchmarkcenter.megware.com {208}
[0] MPI startup(): 209 186297 isix03.benchmarkcenter.megware.com {209}
[0] MPI startup(): 210 186241 isix03.benchmarkcenter.megware.com {210}
[0] MPI startup(): 211 186048 isix03.benchmarkcenter.megware.com {211}
[0] MPI startup(): 212 186134 isix03.benchmarkcenter.megware.com {212}
[0] MPI startup(): 213 186256 isix03.benchmarkcenter.megware.com {213}
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[0] MPI startup(): 219 186226 isix03.benchmarkcenter.megware.com {219}
[0] MPI startup(): 220 186259 isix03.benchmarkcenter.megware.com {220}
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[0] MPI startup(): 255 186141 isix03.benchmarkcenter.megware.com {255}
LAMMPS (22 Jul 2025)
using 1 OpenMP thread(s) per MPI task
Lattice spacing in x,y,z = 3.615 3.615 3.615
Created orthogonal box = (0 0 0) to (1156.8 578.4 578.4)
8 by 4 by 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 = 0.021 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 1.27891 on 256 procs for 10 steps with 32768000 atoms
Performance: 3.378 ns/day, 7.105 hours/ns, 7.819 timesteps/s, 256.219 Matom-step/s
98.6% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.96464 | 0.99896 | 1.0449 | 1.4 | 78.11
Neigh | 0.15236 | 0.15548 | 0.15965 | 0.3 | 12.16
Comm | 0.02667 | 0.063255 | 0.11698 | 6.8 | 4.95
Output | 0.0013675 | 0.0016078 | 0.0023156 | 0.4 | 0.13
Modify | 0.019606 | 0.039474 | 0.04763 | 3.4 | 3.09
Other | | 0.02013 | | | 1.57
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 97.4609 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.216 ns/day, 10.829 hours/ns, 5.130 timesteps/s, 168.108 Matom-step/s
98.8% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 72.954 | 75.309 | 78.49 | 11.5 | 77.27
Neigh | 14.111 | 14.625 | 15.556 | 10.5 | 15.01
Comm | 1.4981 | 4.6601 | 7.8482 | 59.4 | 4.78
Output | 0.015328 | 0.017476 | 0.019467 | 0.6 | 0.02
Modify | 0.87269 | 1.7268 | 2.2505 | 32.2 | 1.77
Other | | 1.123 | | | 1.15
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: 0:01:39
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
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# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3573/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758136630/tools/lprof_npsu_run_0 #
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