* [MAQAO] Info: Detected 219 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 52361 isix03.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 52286 isix03.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 52316 isix03.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 52289 isix03.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 52490 isix03.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 52247 isix03.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 52327 isix03.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 52368 isix03.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 52439 isix03.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 52334 isix03.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 52270 isix03.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 52271 isix03.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 52339 isix03.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 52380 isix03.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 52338 isix03.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 52314 isix03.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 52256 isix03.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 52372 isix03.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 52378 isix03.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 52432 isix03.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 52309 isix03.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 52416 isix03.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 52331 isix03.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 52337 isix03.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 52332 isix03.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 52374 isix03.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 52253 isix03.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 52340 isix03.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 52333 isix03.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 52311 isix03.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 52304 isix03.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 52312 isix03.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 52315 isix03.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 52464 isix03.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 52313 isix03.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 52335 isix03.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 52489 isix03.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 52310 isix03.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 52336 isix03.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 52255 isix03.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 52341 isix03.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 52297 isix03.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 52399 isix03.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 52406 isix03.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 52384 isix03.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 52401 isix03.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 52274 isix03.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 52317 isix03.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 52322 isix03.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 52282 isix03.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 52277 isix03.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 52296 isix03.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 52366 isix03.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 52251 isix03.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 52395 isix03.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 52364 isix03.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 52429 isix03.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 52375 isix03.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 52266 isix03.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 52353 isix03.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 52373 isix03.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 52400 isix03.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 52346 isix03.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 52308 isix03.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 52263 isix03.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 52447 isix03.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 52254 isix03.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 52365 isix03.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 52303 isix03.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 52283 isix03.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 52350 isix03.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 52352 isix03.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 52260 isix03.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 52294 isix03.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 52259 isix03.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 52492 isix03.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 52299 isix03.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 52436 isix03.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 52262 isix03.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 52415 isix03.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 52347 isix03.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 52275 isix03.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 52354 isix03.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 52278 isix03.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 52284 isix03.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 52298 isix03.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 52281 isix03.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 52342 isix03.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 52285 isix03.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 52248 isix03.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 52343 isix03.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 52276 isix03.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 52450 isix03.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 52408 isix03.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 52412 isix03.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 52433 isix03.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 52413 isix03.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 52423 isix03.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 52468 isix03.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 52351 isix03.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 52355 isix03.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 52482 isix03.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 52461 isix03.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 52469 isix03.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 52391 isix03.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 52326 isix03.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 52396 isix03.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 52403 isix03.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 52404 isix03.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 52465 isix03.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 52497 isix03.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 52493 isix03.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 52305 isix03.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 52456 isix03.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 52498 isix03.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 52325 isix03.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 52424 isix03.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 52324 isix03.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 52370 isix03.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 52494 isix03.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 52392 isix03.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 52389 isix03.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 52427 isix03.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 52410 isix03.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 52257 isix03.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 52293 isix03.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 52454 isix03.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 52357 isix03.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 52249 isix03.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 52288 isix03.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 52405 isix03.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 52419 isix03.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 52452 isix03.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 52430 isix03.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 52272 isix03.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 52475 isix03.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 52320 isix03.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 52503 isix03.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 52449 isix03.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 52426 isix03.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 52448 isix03.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 52438 isix03.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 52409 isix03.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 52411 isix03.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 52376 isix03.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 52444 isix03.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 52371 isix03.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 52250 isix03.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 52420 isix03.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 52481 isix03.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 52386 isix03.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 52466 isix03.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 52434 isix03.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 52446 isix03.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 52323 isix03.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 52369 isix03.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 52421 isix03.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 52318 isix03.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 52356 isix03.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 52287 isix03.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 52397 isix03.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 52348 isix03.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 52359 isix03.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 52329 isix03.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 52358 isix03.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 52480 isix03.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 52362 isix03.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 52321 isix03.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 52470 isix03.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 52407 isix03.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 52484 isix03.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 52487 isix03.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 52264 isix03.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 52457 isix03.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 52387 isix03.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 52398 isix03.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 52252 isix03.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 52385 isix03.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 52367 isix03.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 52261 isix03.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 52388 isix03.benchmarkcenter.megware.com {180}
[0] MPI startup(): 181 52390 isix03.benchmarkcenter.megware.com {181}
[0] MPI startup(): 182 52496 isix03.benchmarkcenter.megware.com {182}
[0] MPI startup(): 183 52474 isix03.benchmarkcenter.megware.com {183}
[0] MPI startup(): 184 52265 isix03.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 52379 isix03.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 52300 isix03.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 52458 isix03.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 52471 isix03.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 52328 isix03.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 52393 isix03.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 52441 isix03.benchmarkcenter.megware.com {191}
[0] MPI startup(): 192 52319 isix03.benchmarkcenter.megware.com {192}
[0] MPI startup(): 193 52307 isix03.benchmarkcenter.megware.com {193}
[0] MPI startup(): 194 52467 isix03.benchmarkcenter.megware.com {194}
[0] MPI startup(): 195 52460 isix03.benchmarkcenter.megware.com {195}
[0] MPI startup(): 196 52280 isix03.benchmarkcenter.megware.com {196}
[0] MPI startup(): 197 52501 isix03.benchmarkcenter.megware.com {197}
[0] MPI startup(): 198 52473 isix03.benchmarkcenter.megware.com {198}
[0] MPI startup(): 199 52502 isix03.benchmarkcenter.megware.com {199}
[0] MPI startup(): 200 52360 isix03.benchmarkcenter.megware.com {200}
[0] MPI startup(): 201 52418 isix03.benchmarkcenter.megware.com {201}
[0] MPI startup(): 202 52455 isix03.benchmarkcenter.megware.com {202}
[0] MPI startup(): 203 52279 isix03.benchmarkcenter.megware.com {203}
[0] MPI startup(): 204 52273 isix03.benchmarkcenter.megware.com {204}
[0] MPI startup(): 205 52291 isix03.benchmarkcenter.megware.com {205}
[0] MPI startup(): 206 52431 isix03.benchmarkcenter.megware.com {206}
[0] MPI startup(): 207 52499 isix03.benchmarkcenter.megware.com {207}
[0] MPI startup(): 208 52453 isix03.benchmarkcenter.megware.com {208}
[0] MPI startup(): 209 52445 isix03.benchmarkcenter.megware.com {209}
[0] MPI startup(): 210 52495 isix03.benchmarkcenter.megware.com {210}
[0] MPI startup(): 211 52425 isix03.benchmarkcenter.megware.com {211}
[0] MPI startup(): 212 52488 isix03.benchmarkcenter.megware.com {212}
[0] MPI startup(): 213 52292 isix03.benchmarkcenter.megware.com {213}
[0] MPI startup(): 214 52483 isix03.benchmarkcenter.megware.com {214}
[0] MPI startup(): 215 52428 isix03.benchmarkcenter.megware.com {215}
[0] MPI startup(): 216 52290 isix03.benchmarkcenter.megware.com {216}
[0] MPI startup(): 217 52383 isix03.benchmarkcenter.megware.com {217}
[0] MPI startup(): 218 52485 isix03.benchmarkcenter.megware.com {218}
[0] MPI startup(): 219 52472 isix03.benchmarkcenter.megware.com {219}
[0] MPI startup(): 220 52443 isix03.benchmarkcenter.megware.com {220}
[0] MPI startup(): 221 52345 isix03.benchmarkcenter.megware.com {221}
[0] MPI startup(): 222 52417 isix03.benchmarkcenter.megware.com {222}
[0] MPI startup(): 223 52414 isix03.benchmarkcenter.megware.com {223}
[0] MPI startup(): 224 52267 isix03.benchmarkcenter.megware.com {224}
[0] MPI startup(): 225 52394 isix03.benchmarkcenter.megware.com {225}
[0] MPI startup(): 226 52269 isix03.benchmarkcenter.megware.com {226}
[0] MPI startup(): 227 52486 isix03.benchmarkcenter.megware.com {227}
[0] MPI startup(): 228 52302 isix03.benchmarkcenter.megware.com {228}
[0] MPI startup(): 229 52478 isix03.benchmarkcenter.megware.com {229}
[0] MPI startup(): 230 52363 isix03.benchmarkcenter.megware.com {230}
[0] MPI startup(): 231 52301 isix03.benchmarkcenter.megware.com {231}
[0] MPI startup(): 232 52451 isix03.benchmarkcenter.megware.com {232}
[0] MPI startup(): 233 52500 isix03.benchmarkcenter.megware.com {233}
[0] MPI startup(): 234 52476 isix03.benchmarkcenter.megware.com {234}
[0] MPI startup(): 235 52402 isix03.benchmarkcenter.megware.com {235}
[0] MPI startup(): 236 52268 isix03.benchmarkcenter.megware.com {236}
[0] MPI startup(): 237 52381 isix03.benchmarkcenter.megware.com {237}
[0] MPI startup(): 238 52491 isix03.benchmarkcenter.megware.com {238}
[0] MPI startup(): 239 52504 isix03.benchmarkcenter.megware.com {239}
[0] MPI startup(): 240 52477 isix03.benchmarkcenter.megware.com {240}
[0] MPI startup(): 241 52463 isix03.benchmarkcenter.megware.com {241}
[0] MPI startup(): 242 52258 isix03.benchmarkcenter.megware.com {242}
[0] MPI startup(): 243 52442 isix03.benchmarkcenter.megware.com {243}
[0] MPI startup(): 244 52440 isix03.benchmarkcenter.megware.com {244}
[0] MPI startup(): 245 52479 isix03.benchmarkcenter.megware.com {245}
[0] MPI startup(): 246 52422 isix03.benchmarkcenter.megware.com {246}
[0] MPI startup(): 247 52462 isix03.benchmarkcenter.megware.com {247}
[0] MPI startup(): 248 52349 isix03.benchmarkcenter.megware.com {248}
[0] MPI startup(): 249 52437 isix03.benchmarkcenter.megware.com {249}
[0] MPI startup(): 250 52382 isix03.benchmarkcenter.megware.com {250}
[0] MPI startup(): 251 52435 isix03.benchmarkcenter.megware.com {251}
[0] MPI startup(): 252 52459 isix03.benchmarkcenter.megware.com {252}
[0] MPI startup(): 253 52306 isix03.benchmarkcenter.megware.com {253}
[0] MPI startup(): 254 52295 isix03.benchmarkcenter.megware.com {254}
[0] MPI startup(): 255 52377 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 = 0.016 seconds
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 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 88.839 on 256 procs for 10 steps with 32768000 atoms
Performance: 0.049 ns/day, 493.550 hours/ns, 0.113 timesteps/s, 3.688 Matom-step/s
91.0% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 21.808 | 44.205 | 67.933 | 101.5 | 49.76
Neigh | 0.15256 | 0.15756 | 0.16716 | 0.7 | 0.18
Comm | 16.716 | 39.11 | 58.812 | 106.7 | 44.02
Output | 0.0015131 | 0.0033651 | 0.0052997 | 2.0 | 0.00
Modify | 0.017486 | 0.028825 | 0.036811 | 2.6 | 0.03
Other | | 5.334 | | | 6.00
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 98.7911 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.186 ns/day, 10.977 hours/ns, 5.061 timesteps/s, 165.845 Matom-step/s
98.5% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 73.373 | 75.87 | 79.393 | 12.6 | 76.80
Neigh | 14.18 | 14.805 | 16.049 | 13.1 | 14.99
Comm | 1.4624 | 5.2488 | 8.7122 | 62.6 | 5.31
Output | 0.028453 | 0.034322 | 0.047109 | 2.3 | 0.03
Modify | 0.84842 | 1.6237 | 2.2042 | 31.5 | 1.64
Other | | 1.208 | | | 1.22
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: 0:03:24
[MAQAO] Info: 82/256 lprof instances finished
[MAQAO] Info: 84/256 lprof instances finished
[MAQAO] Info: 87/256 lprof instances finished
[MAQAO] Info: 91/256 lprof instances finished
[MAQAO] Info: 95/256 lprof instances finished
[MAQAO] Info: 96/256 lprof instances finished
[MAQAO] Info: 105/256 lprof instances finished
[MAQAO] Info: 123/256 lprof instances finished
[MAQAO] Info: 150/256 lprof instances finished
[MAQAO] Info: 253/256 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/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/defaults/gcc/oneview_results_1758043193/tools/lprof_npsu_run_0 #
####################################################################################################################################################################################################################
