* [MAQAO] Info: Detected 256 Lprof instances in isix04.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 272412 isix04.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 272394 isix04.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 272434 isix04.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 272335 isix04.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 272268 isix04.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 272292 isix04.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 272262 isix04.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 272401 isix04.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 272187 isix04.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 272320 isix04.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 272188 isix04.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 272230 isix04.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 272177 isix04.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 272286 isix04.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 272426 isix04.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 272433 isix04.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 272360 isix04.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 272239 isix04.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 272306 isix04.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 272307 isix04.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 272289 isix04.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 272261 isix04.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 272234 isix04.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 272413 isix04.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 272402 isix04.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 272410 isix04.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 272354 isix04.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 272235 isix04.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 272258 isix04.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 272266 isix04.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 272418 isix04.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 272260 isix04.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 272265 isix04.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 272432 isix04.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 272263 isix04.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 272343 isix04.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 272215 isix04.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 272366 isix04.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 272236 isix04.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 272415 isix04.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 272254 isix04.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 272195 isix04.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 272424 isix04.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 272202 isix04.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 272246 isix04.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 272179 isix04.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 272299 isix04.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 272334 isix04.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 272303 isix04.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 272350 isix04.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 272248 isix04.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 272403 isix04.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 272332 isix04.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 272209 isix04.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 272183 isix04.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 272210 isix04.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 272422 isix04.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 272304 isix04.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 272277 isix04.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 272383 isix04.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 272278 isix04.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 272279 isix04.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 272204 isix04.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 272205 isix04.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 272206 isix04.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 272192 isix04.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 272421 isix04.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 272417 isix04.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 272207 isix04.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 272338 isix04.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 272423 isix04.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 272302 isix04.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 272362 isix04.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 272342 isix04.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 272240 isix04.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 272269 isix04.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 272271 isix04.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 272203 isix04.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 272232 isix04.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 272247 isix04.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 272344 isix04.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 272314 isix04.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 272296 isix04.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 272193 isix04.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 272208 isix04.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 272339 isix04.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 272367 isix04.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 272250 isix04.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 272376 isix04.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 272377 isix04.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 272356 isix04.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 272251 isix04.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 272430 isix04.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 272252 isix04.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 272345 isix04.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 272222 isix04.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 272330 isix04.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 272428 isix04.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 272363 isix04.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 272391 isix04.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 272347 isix04.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 272214 isix04.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 272375 isix04.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 272404 isix04.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 272242 isix04.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 272283 isix04.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 272393 isix04.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 272282 isix04.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 272337 isix04.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 272397 isix04.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 272425 isix04.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 272276 isix04.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 272221 isix04.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 272378 isix04.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 272374 isix04.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 272211 isix04.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 272212 isix04.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 272213 isix04.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 272371 isix04.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 272398 isix04.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 272384 isix04.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 272382 isix04.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 272237 isix04.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 272275 isix04.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 272301 isix04.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 272309 isix04.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 272219 isix04.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 272249 isix04.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 272245 isix04.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 272387 isix04.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 272388 isix04.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 272416 isix04.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 272327 isix04.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 272323 isix04.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 272199 isix04.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 272305 isix04.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 272381 isix04.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 272231 isix04.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 272364 isix04.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 272244 isix04.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 272392 isix04.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 272290 isix04.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 272284 isix04.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 272288 isix04.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 272321 isix04.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 272358 isix04.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 272331 isix04.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 272324 isix04.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 272319 isix04.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 272386 isix04.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 272198 isix04.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 272315 isix04.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 272201 isix04.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 272313 isix04.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 272243 isix04.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 272365 isix04.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 272297 isix04.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 272329 isix04.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 272336 isix04.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 272190 isix04.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 272351 isix04.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 272196 isix04.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 272191 isix04.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 272322 isix04.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 272197 isix04.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 272317 isix04.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 272308 isix04.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 272325 isix04.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 272200 isix04.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 272346 isix04.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 272272 isix04.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 272285 isix04.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 272217 isix04.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 272311 isix04.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 272300 isix04.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 272291 isix04.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 272218 isix04.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 272220 isix04.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 272420 isix04.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 272312 isix04.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 272359 isix04.benchmarkcenter.megware.com {180}
[0] MPI startup(): 181 272182 isix04.benchmarkcenter.megware.com {181}
[0] MPI startup(): 182 272267 isix04.benchmarkcenter.megware.com {182}
[0] MPI startup(): 183 272352 isix04.benchmarkcenter.megware.com {183}
[0] MPI startup(): 184 272333 isix04.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 272184 isix04.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 272185 isix04.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 272264 isix04.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 272216 isix04.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 272348 isix04.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 272298 isix04.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 272396 isix04.benchmarkcenter.megware.com {191}
[0] MPI startup(): 192 272287 isix04.benchmarkcenter.megware.com {192}
[0] MPI startup(): 193 272431 isix04.benchmarkcenter.megware.com {193}
[0] MPI startup(): 194 272395 isix04.benchmarkcenter.megware.com {194}
[0] MPI startup(): 195 272294 isix04.benchmarkcenter.megware.com {195}
[0] MPI startup(): 196 272357 isix04.benchmarkcenter.megware.com {196}
[0] MPI startup(): 197 272224 isix04.benchmarkcenter.megware.com {197}
[0] MPI startup(): 198 272280 isix04.benchmarkcenter.megware.com {198}
[0] MPI startup(): 199 272310 isix04.benchmarkcenter.megware.com {199}
[0] MPI startup(): 200 272318 isix04.benchmarkcenter.megware.com {200}
[0] MPI startup(): 201 272353 isix04.benchmarkcenter.megware.com {201}
[0] MPI startup(): 202 272178 isix04.benchmarkcenter.megware.com {202}
[0] MPI startup(): 203 272238 isix04.benchmarkcenter.megware.com {203}
[0] MPI startup(): 204 272316 isix04.benchmarkcenter.megware.com {204}
[0] MPI startup(): 205 272233 isix04.benchmarkcenter.megware.com {205}
[0] MPI startup(): 206 272295 isix04.benchmarkcenter.megware.com {206}
[0] MPI startup(): 207 272419 isix04.benchmarkcenter.megware.com {207}
[0] MPI startup(): 208 272270 isix04.benchmarkcenter.megware.com {208}
[0] MPI startup(): 209 272368 isix04.benchmarkcenter.megware.com {209}
[0] MPI startup(): 210 272373 isix04.benchmarkcenter.megware.com {210}
[0] MPI startup(): 211 272326 isix04.benchmarkcenter.megware.com {211}
[0] MPI startup(): 212 272223 isix04.benchmarkcenter.megware.com {212}
[0] MPI startup(): 213 272349 isix04.benchmarkcenter.megware.com {213}
[0] MPI startup(): 214 272406 isix04.benchmarkcenter.megware.com {214}
[0] MPI startup(): 215 272389 isix04.benchmarkcenter.megware.com {215}
[0] MPI startup(): 216 272429 isix04.benchmarkcenter.megware.com {216}
[0] MPI startup(): 217 272408 isix04.benchmarkcenter.megware.com {217}
[0] MPI startup(): 218 272427 isix04.benchmarkcenter.megware.com {218}
[0] MPI startup(): 219 272341 isix04.benchmarkcenter.megware.com {219}
[0] MPI startup(): 220 272328 isix04.benchmarkcenter.megware.com {220}
[0] MPI startup(): 221 272186 isix04.benchmarkcenter.megware.com {221}
[0] MPI startup(): 222 272241 isix04.benchmarkcenter.megware.com {222}
[0] MPI startup(): 223 272385 isix04.benchmarkcenter.megware.com {223}
[0] MPI startup(): 224 272369 isix04.benchmarkcenter.megware.com {224}
[0] MPI startup(): 225 272361 isix04.benchmarkcenter.megware.com {225}
[0] MPI startup(): 226 272180 isix04.benchmarkcenter.megware.com {226}
[0] MPI startup(): 227 272379 isix04.benchmarkcenter.megware.com {227}
[0] MPI startup(): 228 272274 isix04.benchmarkcenter.megware.com {228}
[0] MPI startup(): 229 272194 isix04.benchmarkcenter.megware.com {229}
[0] MPI startup(): 230 272226 isix04.benchmarkcenter.megware.com {230}
[0] MPI startup(): 231 272293 isix04.benchmarkcenter.megware.com {231}
[0] MPI startup(): 232 272227 isix04.benchmarkcenter.megware.com {232}
[0] MPI startup(): 233 272411 isix04.benchmarkcenter.megware.com {233}
[0] MPI startup(): 234 272229 isix04.benchmarkcenter.megware.com {234}
[0] MPI startup(): 235 272370 isix04.benchmarkcenter.megware.com {235}
[0] MPI startup(): 236 272273 isix04.benchmarkcenter.megware.com {236}
[0] MPI startup(): 237 272355 isix04.benchmarkcenter.megware.com {237}
[0] MPI startup(): 238 272225 isix04.benchmarkcenter.megware.com {238}
[0] MPI startup(): 239 272400 isix04.benchmarkcenter.megware.com {239}
[0] MPI startup(): 240 272390 isix04.benchmarkcenter.megware.com {240}
[0] MPI startup(): 241 272372 isix04.benchmarkcenter.megware.com {241}
[0] MPI startup(): 242 272380 isix04.benchmarkcenter.megware.com {242}
[0] MPI startup(): 243 272189 isix04.benchmarkcenter.megware.com {243}
[0] MPI startup(): 244 272256 isix04.benchmarkcenter.megware.com {244}
[0] MPI startup(): 245 272181 isix04.benchmarkcenter.megware.com {245}
[0] MPI startup(): 246 272340 isix04.benchmarkcenter.megware.com {246}
[0] MPI startup(): 247 272257 isix04.benchmarkcenter.megware.com {247}
[0] MPI startup(): 248 272259 isix04.benchmarkcenter.megware.com {248}
[0] MPI startup(): 249 272253 isix04.benchmarkcenter.megware.com {249}
[0] MPI startup(): 250 272228 isix04.benchmarkcenter.megware.com {250}
[0] MPI startup(): 251 272414 isix04.benchmarkcenter.megware.com {251}
[0] MPI startup(): 252 272407 isix04.benchmarkcenter.megware.com {252}
[0] MPI startup(): 253 272399 isix04.benchmarkcenter.megware.com {253}
[0] MPI startup(): 254 272405 isix04.benchmarkcenter.megware.com {254}
[0] MPI startup(): 255 272409 isix04.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 = 0.020 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: GNU C++ 14.2.0
SIMD compiler directives: Disabled
Precision: mixed
----------------------------------------------------------
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.969
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.603
Loop time of 0.99843 on 256 procs for 10 steps with 32768000 atoms
Performance: 4.327 ns/day, 5.547 hours/ns, 10.016 timesteps/s, 328.195 Matom-step/s
99.1% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.73664 | 0.75401 | 0.77005 | 0.7 | 75.52
Neigh | 0.087137 | 0.088682 | 0.090193 | 0.2 | 8.88
Comm | 0.049363 | 0.065642 | 0.088115 | 3.0 | 6.57
Output | 0.0013291 | 0.0021692 | 0.0034987 | 1.0 | 0.22
Modify | 0.050386 | 0.0674 | 0.077023 | 2.1 | 6.75
Other | | 0.02053 | | | 2.06
Nlocal: 128000 ave 128127 max 127867 min
Histogram: 4 14 23 26 63 44 35 24 16 7
Nghost: 49871 ave 50004 max 49744 min
Histogram: 7 16 22 36 43 63 27 24 13 5
Neighs: 4.81815e+06 ave 4.84289e+06 max 4.79425e+06 min
Histogram: 26 42 51 9 0 0 18 49 44 17
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641768
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: GNU C++ 14.2.0
SIMD compiler directives: Disabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.603
50 780.89879 -1.1250693e+08 0 -1.0919936e+08 52278.946
100 798.3417 -1.1258126e+08 0 -1.0919981e+08 51472.989
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.285
200 797.61746 -1.1257821e+08 0 -1.0919982e+08 51537.356
250 797.85519 -1.1257922e+08 0 -1.0919983e+08 51529.08
300 797.68663 -1.125785e+08 0 -1.0919982e+08 51538.828
350 797.80495 -1.12579e+08 0 -1.0919982e+08 51537.476
400 797.74798 -1.1257875e+08 0 -1.0919981e+08 51540.407
450 797.84576 -1.1257916e+08 0 -1.0919981e+08 51536.963
500 797.72455 -1.1257864e+08 0 -1.091998e+08 51543.036
510 797.68336 -1.1257846e+08 0 -1.091998e+08 51545.131
Loop time of 73.3032 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.947 ns/day, 8.145 hours/ns, 6.821 timesteps/s, 223.510 Matom-step/s
98.9% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 55.574 | 56.364 | 57.832 | 4.8 | 76.89
Neigh | 7.7735 | 7.9528 | 8.3011 | 5.0 | 10.85
Comm | 3.4806 | 4.6624 | 6.1414 | 25.9 | 6.36
Output | 0.015233 | 0.036181 | 0.068125 | 6.5 | 0.05
Modify | 1.8422 | 3.2629 | 3.8151 | 24.3 | 4.45
Other | | 1.025 | | | 1.40
Nlocal: 128000 ave 128319 max 127676 min
Histogram: 6 15 27 35 42 41 45 22 17 6
Nghost: 49867.6 ave 50191 max 49550 min
Histogram: 7 16 23 44 40 41 37 27 15 6
Neighs: 4.83163e+06 ave 4.86157e+06 max 4.799e+06 min
Histogram: 6 17 38 39 21 18 39 38 34 6
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747092
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:14
[MAQAO] Info: 49/256 lprof instances finished
[MAQAO] Info: 50/256 lprof instances finished
[MAQAO] Info: 57/256 lprof instances finished
[MAQAO] Info: 62/256 lprof instances finished
[MAQAO] Info: 78/256 lprof instances finished
[MAQAO] Info: 79/256 lprof instances finished
[MAQAO] Info: 83/256 lprof instances finished
[MAQAO] Info: 85/256 lprof instances finished
[MAQAO] Info: 86/256 lprof instances finished
[MAQAO] Info: 90/256 lprof instances finished
[MAQAO] Info: 91/256 lprof instances finished
[MAQAO] Info: 99/256 lprof instances finished
[MAQAO] Info: 104/256 lprof instances finished
[MAQAO] Info: 111/256 lprof instances finished
[MAQAO] Info: 143/256 lprof instances finished
[MAQAO] Info: 203/256 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0
To display your profiling results:
#######################################################################################################################################################################################################################
# LEVEL | REPORT | COMMAND #
#######################################################################################################################################################################################################################
# Functions | Cluster-wide | maqao lprof -df xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3591/intel/LAMMPS/run/oneview_runs/compilers/gcc_7/oneview_results_1758145381/tools/lprof_npsu_run_0 #
#######################################################################################################################################################################################################################