* Info: Detected 256 Lprof instances in ortce-gnrap3.
If this is incorrect, rerun with number-processes-per-node=X
[0] MPI startup(): Intel(R) MPI Library, Version 2021.15 Build 20250213 (id: d233448)
[0] MPI startup(): Copyright (C) 2003-2025 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): libfabric version: 1.21.0-impi
[0] MPI startup(): libfabric provider: tcp
[0] MPI startup(): File "/opt/intel/oneapi/mpi/2021.15/opt/mpi/etc/tuning_gnr_shm-ofi_tcp_1_x1.dat" not found
[0] MPI startup(): File "/opt/intel/oneapi/mpi/2021.15/opt/mpi/etc/tuning_gnr_shm-ofi_tcp_1.dat" not found
[0] MPI startup(): File "/opt/intel/oneapi/mpi/2021.15/opt/mpi/etc/tuning_gnr_shm-ofi_tcp.dat" not found
[0] MPI startup(): Load tuning file: "/opt/intel/oneapi/mpi/2021.15/opt/mpi/etc/tuning_gnr_shm-ofi.dat"
[0] MPI startup(): Number of NICs: 1
[0] MPI startup(): ===== NIC pinning on ortce-gnrap3 =====
[0] MPI startup(): Rank Thread id Pin nic
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[0] MPI startup(): 255 0 eno1
[0] MPI startup(): ===== CPU pinning =====
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 1081444 ortce-gnrap3 {0}
[0] MPI startup(): 1 1081514 ortce-gnrap3 {1}
[0] MPI startup(): 2 1081440 ortce-gnrap3 {2}
[0] MPI startup(): 3 1081654 ortce-gnrap3 {3}
[0] MPI startup(): 4 1081667 ortce-gnrap3 {4}
[0] MPI startup(): 5 1081679 ortce-gnrap3 {5}
[0] MPI startup(): 6 1081673 ortce-gnrap3 {6}
[0] MPI startup(): 7 1081677 ortce-gnrap3 {7}
[0] MPI startup(): 8 1081923 ortce-gnrap3 {8}
[0] MPI startup(): 9 1081655 ortce-gnrap3 {9}
[0] MPI startup(): 10 1081663 ortce-gnrap3 {10}
[0] MPI startup(): 11 1081656 ortce-gnrap3 {11}
[0] MPI startup(): 12 1081664 ortce-gnrap3 {12}
[0] MPI startup(): 13 1081661 ortce-gnrap3 {13}
[0] MPI startup(): 14 1081659 ortce-gnrap3 {14}
[0] MPI startup(): 15 1081645 ortce-gnrap3 {15}
[0] MPI startup(): 16 1081603 ortce-gnrap3 {16}
[0] MPI startup(): 17 1081638 ortce-gnrap3 {17}
[0] MPI startup(): 18 1081647 ortce-gnrap3 {18}
[0] MPI startup(): 19 1081668 ortce-gnrap3 {19}
[0] MPI startup(): 20 1081666 ortce-gnrap3 {20}
[0] MPI startup(): 21 1081670 ortce-gnrap3 {21}
[0] MPI startup(): 22 1081675 ortce-gnrap3 {22}
[0] MPI startup(): 23 1081671 ortce-gnrap3 {23}
[0] MPI startup(): 24 1081407 ortce-gnrap3 {24}
[0] MPI startup(): 25 1081439 ortce-gnrap3 {25}
[0] MPI startup(): 26 1081657 ortce-gnrap3 {26}
[0] MPI startup(): 27 1081658 ortce-gnrap3 {27}
[0] MPI startup(): 28 1081650 ortce-gnrap3 {28}
[0] MPI startup(): 29 1081665 ortce-gnrap3 {29}
[0] MPI startup(): 30 1081678 ortce-gnrap3 {30}
[0] MPI startup(): 31 1081644 ortce-gnrap3 {31}
[0] MPI startup(): 32 1081635 ortce-gnrap3 {32}
[0] MPI startup(): 33 1081620 ortce-gnrap3 {33}
[0] MPI startup(): 34 1081592 ortce-gnrap3 {34}
[0] MPI startup(): 35 1081579 ortce-gnrap3 {35}
[0] MPI startup(): 36 1081662 ortce-gnrap3 {36}
[0] MPI startup(): 37 1081669 ortce-gnrap3 {37}
[0] MPI startup(): 38 1081676 ortce-gnrap3 {38}
[0] MPI startup(): 39 1081674 ortce-gnrap3 {39}
[0] MPI startup(): 40 1081672 ortce-gnrap3 {40}
[0] MPI startup(): 41 1081653 ortce-gnrap3 {41}
[0] MPI startup(): 42 1081660 ortce-gnrap3 {42}
[0] MPI startup(): 43 1081562 ortce-gnrap3 {43}
[0] MPI startup(): 44 1081599 ortce-gnrap3 {44}
[0] MPI startup(): 45 1081601 ortce-gnrap3 {45}
[0] MPI startup(): 46 1081598 ortce-gnrap3 {46}
[0] MPI startup(): 47 1081552 ortce-gnrap3 {47}
[0] MPI startup(): 48 1081591 ortce-gnrap3 {48}
[0] MPI startup(): 49 1081584 ortce-gnrap3 {49}
[0] MPI startup(): 50 1081587 ortce-gnrap3 {50}
[0] MPI startup(): 51 1081597 ortce-gnrap3 {51}
[0] MPI startup(): 52 1081586 ortce-gnrap3 {52}
[0] MPI startup(): 53 1081585 ortce-gnrap3 {53}
[0] MPI startup(): 54 1081618 ortce-gnrap3 {54}
[0] MPI startup(): 55 1081617 ortce-gnrap3 {55}
[0] MPI startup(): 56 1081613 ortce-gnrap3 {56}
[0] MPI startup(): 57 1081612 ortce-gnrap3 {57}
[0] MPI startup(): 58 1081581 ortce-gnrap3 {58}
[0] MPI startup(): 59 1081411 ortce-gnrap3 {59}
[0] MPI startup(): 60 1081577 ortce-gnrap3 {60}
[0] MPI startup(): 61 1081427 ortce-gnrap3 {61}
[0] MPI startup(): 62 1081600 ortce-gnrap3 {62}
[0] MPI startup(): 63 1081560 ortce-gnrap3 {63}
[0] MPI startup(): 64 1081621 ortce-gnrap3 {64}
[0] MPI startup(): 65 1081609 ortce-gnrap3 {65}
[0] MPI startup(): 66 1081588 ortce-gnrap3 {66}
[0] MPI startup(): 67 1081622 ortce-gnrap3 {67}
[0] MPI startup(): 68 1081449 ortce-gnrap3 {68}
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[0] MPI startup(): 72 1081596 ortce-gnrap3 {72}
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[0] MPI startup(): 83 1081540 ortce-gnrap3 {83}
[0] MPI startup(): 84 1081471 ortce-gnrap3 {84}
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[0] MPI startup(): 100 1081479 ortce-gnrap3 {100}
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[0] MPI startup(): 105 1081516 ortce-gnrap3 {105}
[0] MPI startup(): 106 1081480 ortce-gnrap3 {106}
[0] MPI startup(): 107 1081515 ortce-gnrap3 {107}
[0] MPI startup(): 108 1081452 ortce-gnrap3 {108}
[0] MPI startup(): 109 1081519 ortce-gnrap3 {109}
[0] MPI startup(): 110 1081533 ortce-gnrap3 {110}
[0] MPI startup(): 111 1081406 ortce-gnrap3 {111}
[0] MPI startup(): 112 1081522 ortce-gnrap3 {112}
[0] MPI startup(): 113 1081531 ortce-gnrap3 {113}
[0] MPI startup(): 114 1081525 ortce-gnrap3 {114}
[0] MPI startup(): 115 1081534 ortce-gnrap3 {115}
[0] MPI startup(): 116 1081402 ortce-gnrap3 {116}
[0] MPI startup(): 117 1081460 ortce-gnrap3 {117}
[0] MPI startup(): 118 1081462 ortce-gnrap3 {118}
[0] MPI startup(): 119 1081442 ortce-gnrap3 {119}
[0] MPI startup(): 120 1081405 ortce-gnrap3 {120}
[0] MPI startup(): 121 1081510 ortce-gnrap3 {121}
[0] MPI startup(): 122 1081433 ortce-gnrap3 {122}
[0] MPI startup(): 123 1081468 ortce-gnrap3 {123}
[0] MPI startup(): 124 1081447 ortce-gnrap3 {124}
[0] MPI startup(): 125 1081450 ortce-gnrap3 {125}
[0] MPI startup(): 126 1081435 ortce-gnrap3 {126}
[0] MPI startup(): 127 1081526 ortce-gnrap3 {127}
[0] MPI startup(): 128 1081606 ortce-gnrap3 {128}
[0] MPI startup(): 129 1081625 ortce-gnrap3 {129}
[0] MPI startup(): 130 1081593 ortce-gnrap3 {130}
[0] MPI startup(): 131 1081615 ortce-gnrap3 {131}
[0] MPI startup(): 132 1081610 ortce-gnrap3 {132}
[0] MPI startup(): 133 1081627 ortce-gnrap3 {133}
[0] MPI startup(): 134 1081494 ortce-gnrap3 {134}
[0] MPI startup(): 135 1081628 ortce-gnrap3 {135}
[0] MPI startup(): 136 1081633 ortce-gnrap3 {136}
[0] MPI startup(): 137 1081631 ortce-gnrap3 {137}
[0] MPI startup(): 138 1081630 ortce-gnrap3 {138}
[0] MPI startup(): 139 1081629 ortce-gnrap3 {139}
[0] MPI startup(): 140 1081642 ortce-gnrap3 {140}
[0] MPI startup(): 141 1081641 ortce-gnrap3 {141}
[0] MPI startup(): 142 1081632 ortce-gnrap3 {142}
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[0] MPI startup(): 146 1081470 ortce-gnrap3 {146}
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[0] MPI startup(): 148 1081639 ortce-gnrap3 {148}
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[0] MPI startup(): 181 1081487 ortce-gnrap3 {181}
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[0] MPI startup(): 186 1081561 ortce-gnrap3 {186}
[0] MPI startup(): 187 1081445 ortce-gnrap3 {187}
[0] MPI startup(): 188 1081443 ortce-gnrap3 {188}
[0] MPI startup(): 189 1081409 ortce-gnrap3 {189}
[0] MPI startup(): 190 1081475 ortce-gnrap3 {190}
[0] MPI startup(): 191 1081469 ortce-gnrap3 {191}
[0] MPI startup(): 192 1081424 ortce-gnrap3 {192}
[0] MPI startup(): 193 1081419 ortce-gnrap3 {193}
[0] MPI startup(): 194 1081476 ortce-gnrap3 {194}
[0] MPI startup(): 195 1081512 ortce-gnrap3 {195}
[0] MPI startup(): 196 1081451 ortce-gnrap3 {196}
[0] MPI startup(): 197 1081500 ortce-gnrap3 {197}
[0] MPI startup(): 198 1081504 ortce-gnrap3 {198}
[0] MPI startup(): 199 1081527 ortce-gnrap3 {199}
[0] MPI startup(): 200 1081502 ortce-gnrap3 {200}
[0] MPI startup(): 201 1081532 ortce-gnrap3 {201}
[0] MPI startup(): 202 1081541 ortce-gnrap3 {202}
[0] MPI startup(): 203 1081537 ortce-gnrap3 {203}
[0] MPI startup(): 204 1081543 ortce-gnrap3 {204}
[0] MPI startup(): 205 1081542 ortce-gnrap3 {205}
[0] MPI startup(): 206 1081454 ortce-gnrap3 {206}
[0] MPI startup(): 207 1081428 ortce-gnrap3 {207}
[0] MPI startup(): 208 1081404 ortce-gnrap3 {208}
[0] MPI startup(): 209 1081539 ortce-gnrap3 {209}
[0] MPI startup(): 210 1081484 ortce-gnrap3 {210}
[0] MPI startup(): 211 1081458 ortce-gnrap3 {211}
[0] MPI startup(): 212 1081485 ortce-gnrap3 {212}
[0] MPI startup(): 213 1081483 ortce-gnrap3 {213}
[0] MPI startup(): 214 1081550 ortce-gnrap3 {214}
[0] MPI startup(): 215 1081457 ortce-gnrap3 {215}
[0] MPI startup(): 216 1081557 ortce-gnrap3 {216}
[0] MPI startup(): 217 1081410 ortce-gnrap3 {217}
[0] MPI startup(): 218 1081472 ortce-gnrap3 {218}
[0] MPI startup(): 219 1081463 ortce-gnrap3 {219}
[0] MPI startup(): 220 1081528 ortce-gnrap3 {220}
[0] MPI startup(): 221 1081408 ortce-gnrap3 {221}
[0] MPI startup(): 222 1081417 ortce-gnrap3 {222}
[0] MPI startup(): 223 1081564 ortce-gnrap3 {223}
[0] MPI startup(): 224 1081429 ortce-gnrap3 {224}
[0] MPI startup(): 225 1081434 ortce-gnrap3 {225}
[0] MPI startup(): 226 1081416 ortce-gnrap3 {226}
[0] MPI startup(): 227 1081448 ortce-gnrap3 {227}
[0] MPI startup(): 228 1081513 ortce-gnrap3 {228}
[0] MPI startup(): 229 1081523 ortce-gnrap3 {229}
[0] MPI startup(): 230 1081420 ortce-gnrap3 {230}
[0] MPI startup(): 231 1081574 ortce-gnrap3 {231}
[0] MPI startup(): 232 1081432 ortce-gnrap3 {232}
[0] MPI startup(): 233 1081545 ortce-gnrap3 {233}
[0] MPI startup(): 234 1081566 ortce-gnrap3 {234}
[0] MPI startup(): 235 1081563 ortce-gnrap3 {235}
[0] MPI startup(): 236 1081570 ortce-gnrap3 {236}
[0] MPI startup(): 237 1081565 ortce-gnrap3 {237}
[0] MPI startup(): 238 1081567 ortce-gnrap3 {238}
[0] MPI startup(): 239 1081569 ortce-gnrap3 {239}
[0] MPI startup(): 240 1081575 ortce-gnrap3 {240}
[0] MPI startup(): 241 1081573 ortce-gnrap3 {241}
[0] MPI startup(): 242 1081507 ortce-gnrap3 {242}
[0] MPI startup(): 243 1081571 ortce-gnrap3 {243}
[0] MPI startup(): 244 1081474 ortce-gnrap3 {244}
[0] MPI startup(): 245 1081576 ortce-gnrap3 {245}
[0] MPI startup(): 246 1081446 ortce-gnrap3 {246}
[0] MPI startup(): 247 1081456 ortce-gnrap3 {247}
[0] MPI startup(): 248 1081426 ortce-gnrap3 {248}
[0] MPI startup(): 249 1081568 ortce-gnrap3 {249}
[0] MPI startup(): 250 1081412 ortce-gnrap3 {250}
[0] MPI startup(): 251 1081508 ortce-gnrap3 {251}
[0] MPI startup(): 252 1081503 ortce-gnrap3 {252}
[0] MPI startup(): 253 1081441 ortce-gnrap3 {253}
[0] MPI startup(): 254 1081415 ortce-gnrap3 {254}
[0] MPI startup(): 255 1081520 ortce-gnrap3 {255}
LAMMPS (2 Apr 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 = 0.019 seconds
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202501.0 / Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Neighbor list info ...
update: every = 1 steps, delay = 5 steps, check = yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 5.95
ghost atom cutoff = 5.95
binsize = 2.975, bins = 389 195 195
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair eam/intel, perpetual
attributes: half, newton on, intel
pair build: half/bin/newton/intel
stencil: half/bin/3d/intel
bin: intel
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.005
OMP: pid 1081444 tid 1081444 thread 0 bound to OS proc set {0}
OMP: pid 1081653 tid 1081653 thread 0 bound to OS proc set {41}
OMP: pid 1081601 tid 1081601 thread 0 bound to OS proc set {45}
OMP: pid 1081581 tid 1081581 thread 0 bound to OS proc set {58}
OMP: pid 1081560 tid 1081560 thread 0 bound to OS proc set {63}
OMP: pid 1081449 tid 1081449 thread 0 bound to OS proc set {68}
OMP: pid 1081462 tid 1081462 thread 0 bound to OS proc set {118}
OMP: pid 1081615 tid 1081615 thread 0 bound to OS proc set {131}
OMP: pid 1081489 tid 1081489 thread 0 bound to OS proc set {145}
OMP: pid 1081544 tid 1081544 thread 0 bound to OS proc set {162}
OMP: pid 1081466 tid 1081466 thread 0 bound to OS proc set {171}
OMP: pid 1081443 tid 1081443 thread 0 bound to OS proc set {188}
OMP: pid 1081476 tid 1081476 thread 0 bound to OS proc set {194}
OMP: pid 1081454 tid 1081454 thread 0 bound to OS proc set {206}
OMP: pid 1081410 tid 1081410 thread 0 bound to OS proc set {217}
OMP: pid 1081523 tid 1081523 thread 0 bound to OS proc set {229}
OMP: pid 1081563 tid 1081563 thread 0 bound to OS proc set {235}
OMP: pid 1081446 tid 1081446 thread 0 bound to OS proc set {246}
OMP: pid 1081508 tid 1081508 thread 0 bound to OS proc set {251}
OMP: pid 1081441 tid 1081441 thread 0 bound to OS proc set {253}
OMP: pid 1081514 tid 1081514 thread 0 bound to OS proc set {1}
OMP: pid 1081440 tid 1081440 thread 0 bound to OS proc set {2}
OMP: pid 1081654 tid 1081654 thread 0 bound to OS proc set {3}
OMP: pid 1081667 tid 1081667 thread 0 bound to OS proc set {4}
OMP: pid 1081679 tid 1081679 thread 0 bound to OS proc set {5}
OMP: pid 1081673 tid 1081673 thread 0 bound to OS proc set {6}
OMP: pid 1081677 tid 1081677 thread 0 bound to OS proc set {7}
OMP: pid 1081923 tid 1081923 thread 0 bound to OS proc set {8}
OMP: pid 1081655 tid 1081655 thread 0 bound to OS proc set {9}
OMP: pid 1081663 tid 1081663 thread 0 bound to OS proc set {10}
OMP: pid 1081656 tid 1081656 thread 0 bound to OS proc set {11}
OMP: pid 1081664 tid 1081664 thread 0 bound to OS proc set {12}
OMP: pid 1081661 tid 1081661 thread 0 bound to OS proc set {13}
OMP: pid 1081659 tid 1081659 thread 0 bound to OS proc set {14}
OMP: pid 1081645 tid 1081645 thread 0 bound to OS proc set {15}
OMP: pid 1081603 tid 1081603 thread 0 bound to OS proc set {16}
OMP: pid 1081638 tid 1081638 thread 0 bound to OS proc set {17}
OMP: pid 1081647 tid 1081647 thread 0 bound to OS proc set {18}
OMP: pid 1081668 tid 1081668 thread 0 bound to OS proc set {19}
OMP: pid 1081666 tid 1081666 thread 0 bound to OS proc set {20}
OMP: pid 1081670 tid 1081670 thread 0 bound to OS proc set {21}
OMP: pid 1081675 tid 1081675 thread 0 bound to OS proc set {22}
OMP: pid 1081671 tid 1081671 thread 0 bound to OS proc set {23}
OMP: pid 1081407 tid 1081407 thread 0 bound to OS proc set {24}
OMP: pid 1081439 tid 1081439 thread 0 bound to OS proc set {25}
OMP: pid 1081657 tid 1081657 thread 0 bound to OS proc set {26}
OMP: pid 1081658 tid 1081658 thread 0 bound to OS proc set {27}
OMP: pid 1081650 tid 1081650 thread 0 bound to OS proc set {28}
OMP: pid 1081665 tid 1081665 thread 0 bound to OS proc set {29}
OMP: pid 1081678 tid 1081678 thread 0 bound to OS proc set {30}
OMP: pid 1081644 tid 1081644 thread 0 bound to OS proc set {31}
OMP: pid 1081635 tid 1081635 thread 0 bound to OS proc set {32}
OMP: pid 1081620 tid 1081620 thread 0 bound to OS proc set {33}
OMP: pid 1081592 tid 1081592 thread 0 bound to OS proc set {34}
OMP: pid 1081579 tid 1081579 thread 0 bound to OS proc set {35}
OMP: pid 1081662 tid 1081662 thread 0 bound to OS proc set {36}
OMP: pid 1081669 tid 1081669 thread 0 bound to OS proc set {37}
OMP: pid 1081676 tid 1081676 thread 0 bound to OS proc set {38}
OMP: pid 1081674 tid 1081674 thread 0 bound to OS proc set {39}
OMP: pid 1081672 tid 1081672 thread 0 bound to OS proc set {40}
OMP: pid 1081660 tid 1081660 thread 0 bound to OS proc set {42}
OMP: pid 1081562 tid 1081562 thread 0 bound to OS proc set {43}
OMP: pid 1081599 tid 1081599 thread 0 bound to OS proc set {44}
OMP: pid 1081598 tid 1081598 thread 0 bound to OS proc set {46}
OMP: pid 1081552 tid 1081552 thread 0 bound to OS proc set {47}
OMP: pid 1081591 tid 1081591 thread 0 bound to OS proc set {48}
OMP: pid 1081584 tid 1081584 thread 0 bound to OS proc set {49}
OMP: pid 1081587 tid 1081587 thread 0 bound to OS proc set {50}
OMP: pid 1081597 tid 1081597 thread 0 bound to OS proc set {51}
OMP: pid 1081586 tid 1081586 thread 0 bound to OS proc set {52}
OMP: pid 1081585 tid 1081585 thread 0 bound to OS proc set {53}
OMP: pid 1081618 tid 1081618 thread 0 bound to OS proc set {54}
OMP: pid 1081617 tid 1081617 thread 0 bound to OS proc set {55}
OMP: pid 1081613 tid 1081613 thread 0 bound to OS proc set {56}
OMP: pid 1081612 tid 1081612 thread 0 bound to OS proc set {57}
OMP: pid 1081411 tid 1081411 thread 0 bound to OS proc set {59}
OMP: pid 1081577 tid 1081577 thread 0 bound to OS proc set {60}
OMP: pid 1081427 tid 1081427 thread 0 bound to OS proc set {61}
OMP: pid 1081600 tid 1081600 thread 0 bound to OS proc set {62}
OMP: pid 1081621 tid 1081621 thread 0 bound to OS proc set {64}
OMP: pid 1081609 tid 1081609 thread 0 bound to OS proc set {65}
OMP: pid 1081588 tid 1081588 thread 0 bound to OS proc set {66}
OMP: pid 1081622 tid 1081622 thread 0 bound to OS proc set {67}
OMP: pid 1081473 tid 1081473 thread 0 bound to OS proc set {69}
OMP: pid 1081558 tid 1081558 thread 0 bound to OS proc set {70}
OMP: pid 1081403 tid 1081403 thread 0 bound to OS proc set {71}
OMP: pid 1081596 tid 1081596 thread 0 bound to OS proc set {72}
OMP: pid 1081619 tid 1081619 thread 0 bound to OS proc set {73}
OMP: pid 1081590 tid 1081590 thread 0 bound to OS proc set {74}
OMP: pid 1081459 tid 1081459 thread 0 bound to OS proc set {75}
OMP: pid 1081431 tid 1081431 thread 0 bound to OS proc set {76}
OMP: pid 1081553 tid 1081553 thread 0 bound to OS proc set {77}
OMP: pid 1081436 tid 1081436 thread 0 bound to OS proc set {78}
OMP: pid 1081490 tid 1081490 thread 0 bound to OS proc set {79}
OMP: pid 1081421 tid 1081421 thread 0 bound to OS proc set {80}
OMP: pid 1081580 tid 1081580 thread 0 bound to OS proc set {81}
OMP: pid 1081461 tid 1081461 thread 0 bound to OS proc set {82}
OMP: pid 1081540 tid 1081540 thread 0 bound to OS proc set {83}
OMP: pid 1081471 tid 1081471 thread 0 bound to OS proc set {84}
OMP: pid 1081611 tid 1081611 thread 0 bound to OS proc set {85}
OMP: pid 1081535 tid 1081535 thread 0 bound to OS proc set {86}
OMP: pid 1081530 tid 1081530 thread 0 bound to OS proc set {87}
OMP: pid 1081517 tid 1081517 thread 0 bound to OS proc set {88}
OMP: pid 1081423 tid 1081423 thread 0 bound to OS proc set {89}
OMP: pid 1081425 tid 1081425 thread 0 bound to OS proc set {90}
OMP: pid 1081437 tid 1081437 thread 0 bound to OS proc set {91}
OMP: pid 1081413 tid 1081413 thread 0 bound to OS proc set {92}
OMP: pid 1081482 tid 1081482 thread 0 bound to OS proc set {93}
OMP: pid 1081496 tid 1081496 thread 0 bound to OS proc set {94}
OMP: pid 1081455 tid 1081455 thread 0 bound to OS proc set {95}
OMP: pid 1081422 tid 1081422 thread 0 bound to OS proc set {96}
OMP: pid 1081401 tid 1081401 thread 0 bound to OS proc set {97}
OMP: pid 1081430 tid 1081430 thread 0 bound to OS proc set {98}
OMP: pid 1081491 tid 1081491 thread 0 bound to OS proc set {99}
OMP: pid 1081479 tid 1081479 thread 0 bound to OS proc set {100}
OMP: pid 1081486 tid 1081486 thread 0 bound to OS proc set {101}
OMP: pid 1081492 tid 1081492 thread 0 bound to OS proc set {102}
OMP: pid 1081464 tid 1081464 thread 0 bound to OS proc set {103}
OMP: pid 1081509 tid 1081509 thread 0 bound to OS proc set {104}
OMP: pid 1081516 tid 1081516 thread 0 bound to OS proc set {105}
OMP: pid 1081480 tid 1081480 thread 0 bound to OS proc set {106}
OMP: pid 1081515 tid 1081515 thread 0 bound to OS proc set {107}
OMP: pid 1081452 tid 1081452 thread 0 bound to OS proc set {108}
OMP: pid 1081519 tid 1081519 thread 0 bound to OS proc set {109}
OMP: pid 1081533 tid 1081533 thread 0 bound to OS proc set {110}
OMP: pid 1081406 tid 1081406 thread 0 bound to OS proc set {111}
OMP: pid 1081522 tid 1081522 thread 0 bound to OS proc set {112}
OMP: pid 1081531 tid 1081531 thread 0 bound to OS proc set {113}
OMP: pid 1081525 tid 1081525 thread 0 bound to OS proc set {114}
OMP: pid 1081534 tid 1081534 thread 0 bound to OS proc set {115}
OMP: pid 1081402 tid 1081402 thread 0 bound to OS proc set {116}
OMP: pid 1081460 tid 1081460 thread 0 bound to OS proc set {117}
OMP: pid 1081442 tid 1081442 thread 0 bound to OS proc set {119}
OMP: pid 1081405 tid 1081405 thread 0 bound to OS proc set {120}
OMP: pid 1081510 tid 1081510 thread 0 bound to OS proc set {121}
OMP: pid 1081433 tid 1081433 thread 0 bound to OS proc set {122}
OMP: pid 1081468 tid 1081468 thread 0 bound to OS proc set {123}
OMP: pid 1081447 tid 1081447 thread 0 bound to OS proc set {124}
OMP: pid 1081450 tid 1081450 thread 0 bound to OS proc set {125}
OMP: pid 1081435 tid 1081435 thread 0 bound to OS proc set {126}
OMP: pid 1081526 tid 1081526 thread 0 bound to OS proc set {127}
OMP: pid 1081606 tid 1081606 thread 0 bound to OS proc set {128}
OMP: pid 1081625 tid 1081625 thread 0 bound to OS proc set {129}
OMP: pid 1081593 tid 1081593 thread 0 bound to OS proc set {130}
OMP: pid 1081610 tid 1081610 thread 0 bound to OS proc set {132}
OMP: pid 1081627 tid 1081627 thread 0 bound to OS proc set {133}
OMP: pid 1081494 tid 1081494 thread 0 bound to OS proc set {134}
OMP: pid 1081628 tid 1081628 thread 0 bound to OS proc set {135}
OMP: pid 1081633 tid 1081633 thread 0 bound to OS proc set {136}
OMP: pid 1081631 tid 1081631 thread 0 bound to OS proc set {137}
OMP: pid 1081630 tid 1081630 thread 0 bound to OS proc set {138}
OMP: pid 1081629 tid 1081629 thread 0 bound to OS proc set {139}
OMP: pid 1081642 tid 1081642 thread 0 bound to OS proc set {140}
OMP: pid 1081641 tid 1081641 thread 0 bound to OS proc set {141}
OMP: pid 1081632 tid 1081632 thread 0 bound to OS proc set {142}
OMP: pid 1081624 tid 1081624 thread 0 bound to OS proc set {143}
OMP: pid 1081637 tid 1081637 thread 0 bound to OS proc set {144}
OMP: pid 1081470 tid 1081470 thread 0 bound to OS proc set {146}
OMP: pid 1081453 tid 1081453 thread 0 bound to OS proc set {147}
OMP: pid 1081639 tid 1081639 thread 0 bound to OS proc set {148}
OMP: pid 1081400 tid 1081400 thread 0 bound to OS proc set {149}
OMP: pid 1081418 tid 1081418 thread 0 bound to OS proc set {150}
OMP: pid 1081465 tid 1081465 thread 0 bound to OS proc set {151}
OMP: pid 1081438 tid 1081438 thread 0 bound to OS proc set {152}
OMP: pid 1081488 tid 1081488 thread 0 bound to OS proc set {153}
OMP: pid 1081414 tid 1081414 thread 0 bound to OS proc set {154}
OMP: pid 1081478 tid 1081478 thread 0 bound to OS proc set {155}
OMP: pid 1081607 tid 1081607 thread 0 bound to OS proc set {156}
OMP: pid 1081583 tid 1081583 thread 0 bound to OS proc set {157}
OMP: pid 1081623 tid 1081623 thread 0 bound to OS proc set {158}
OMP: pid 1081521 tid 1081521 thread 0 bound to OS proc set {159}
OMP: pid 1081555 tid 1081555 thread 0 bound to OS proc set {160}
OMP: pid 1081572 tid 1081572 thread 0 bound to OS proc set {161}
OMP: pid 1081616 tid 1081616 thread 0 bound to OS proc set {163}
OMP: pid 1081594 tid 1081594 thread 0 bound to OS proc set {164}
OMP: pid 1081640 tid 1081640 thread 0 bound to OS proc set {165}
OMP: pid 1081614 tid 1081614 thread 0 bound to OS proc set {166}
OMP: pid 1081605 tid 1081605 thread 0 bound to OS proc set {167}
OMP: pid 1081643 tid 1081643 thread 0 bound to OS proc set {168}
OMP: pid 1081602 tid 1081602 thread 0 bound to OS proc set {169}
OMP: pid 1081595 tid 1081595 thread 0 bound to OS proc set {170}
OMP: pid 1081547 tid 1081547 thread 0 bound to OS proc set {172}
OMP: pid 1081499 tid 1081499 thread 0 bound to OS proc set {173}
OMP: pid 1081538 tid 1081538 thread 0 bound to OS proc set {174}
OMP: pid 1081551 tid 1081551 thread 0 bound to OS proc set {175}
OMP: pid 1081546 tid 1081546 thread 0 bound to OS proc set {176}
OMP: pid 1081548 tid 1081548 thread 0 bound to OS proc set {177}
OMP: pid 1081556 tid 1081556 thread 0 bound to OS proc set {178}
OMP: pid 1081549 tid 1081549 thread 0 bound to OS proc set {179}
OMP: pid 1081554 tid 1081554 thread 0 bound to OS proc set {180}
OMP: pid 1081487 tid 1081487 thread 0 bound to OS proc set {181}
OMP: pid 1081493 tid 1081493 thread 0 bound to OS proc set {182}
OMP: pid 1081477 tid 1081477 thread 0 bound to OS proc set {183}
OMP: pid 1081481 tid 1081481 thread 0 bound to OS proc set {184}
OMP: pid 1081467 tid 1081467 thread 0 bound to OS proc set {185}
OMP: pid 1081561 tid 1081561 thread 0 bound to OS proc set {186}
OMP: pid 1081445 tid 1081445 thread 0 bound to OS proc set {187}
OMP: pid 1081409 tid 1081409 thread 0 bound to OS proc set {189}
OMP: pid 1081475 tid 1081475 thread 0 bound to OS proc set {190}
OMP: pid 1081469 tid 1081469 thread 0 bound to OS proc set {191}
OMP: pid 1081424 tid 1081424 thread 0 bound to OS proc set {192}
OMP: pid 1081419 tid 1081419 thread 0 bound to OS proc set {193}
OMP: pid 1081512 tid 1081512 thread 0 bound to OS proc set {195}
OMP: pid 1081451 tid 1081451 thread 0 bound to OS proc set {196}
OMP: pid 1081500 tid 1081500 thread 0 bound to OS proc set {197}
OMP: pid 1081504 tid 1081504 thread 0 bound to OS proc set {198}
OMP: pid 1081527 tid 1081527 thread 0 bound to OS proc set {199}
OMP: pid 1081502 tid 1081502 thread 0 bound to OS proc set {200}
OMP: pid 1081532 tid 1081532 thread 0 bound to OS proc set {201}
OMP: pid 1081541 tid 1081541 thread 0 bound to OS proc set {202}
OMP: pid 1081537 tid 1081537 thread 0 bound to OS proc set {203}
OMP: pid 1081543 tid 1081543 thread 0 bound to OS proc set {204}
OMP: pid 1081542 tid 1081542 thread 0 bound to OS proc set {205}
OMP: pid 1081428 tid 1081428 thread 0 bound to OS proc set {207}
OMP: pid 1081404 tid 1081404 thread 0 bound to OS proc set {208}
OMP: pid 1081539 tid 1081539 thread 0 bound to OS proc set {209}
OMP: pid 1081484 tid 1081484 thread 0 bound to OS proc set {210}
OMP: pid 1081458 tid 1081458 thread 0 bound to OS proc set {211}
OMP: pid 1081485 tid 1081485 thread 0 bound to OS proc set {212}
OMP: pid 1081483 tid 1081483 thread 0 bound to OS proc set {213}
OMP: pid 1081550 tid 1081550 thread 0 bound to OS proc set {214}
OMP: pid 1081457 tid 1081457 thread 0 bound to OS proc set {215}
OMP: pid 1081557 tid 1081557 thread 0 bound to OS proc set {216}
OMP: pid 1081472 tid 1081472 thread 0 bound to OS proc set {218}
OMP: pid 1081463 tid 1081463 thread 0 bound to OS proc set {219}
OMP: pid 1081528 tid 1081528 thread 0 bound to OS proc set {220}
OMP: pid 1081408 tid 1081408 thread 0 bound to OS proc set {221}
OMP: pid 1081417 tid 1081417 thread 0 bound to OS proc set {222}
OMP: pid 1081564 tid 1081564 thread 0 bound to OS proc set {223}
OMP: pid 1081429 tid 1081429 thread 0 bound to OS proc set {224}
OMP: pid 1081434 tid 1081434 thread 0 bound to OS proc set {225}
OMP: pid 1081416 tid 1081416 thread 0 bound to OS proc set {226}
OMP: pid 1081448 tid 1081448 thread 0 bound to OS proc set {227}
OMP: pid 1081513 tid 1081513 thread 0 bound to OS proc set {228}
OMP: pid 1081420 tid 1081420 thread 0 bound to OS proc set {230}
OMP: pid 1081574 tid 1081574 thread 0 bound to OS proc set {231}
OMP: pid 1081432 tid 1081432 thread 0 bound to OS proc set {232}
OMP: pid 1081545 tid 1081545 thread 0 bound to OS proc set {233}
OMP: pid 1081566 tid 1081566 thread 0 bound to OS proc set {234}
OMP: pid 1081570 tid 1081570 thread 0 bound to OS proc set {236}
OMP: pid 1081565 tid 1081565 thread 0 bound to OS proc set {237}
OMP: pid 1081567 tid 1081567 thread 0 bound to OS proc set {238}
OMP: pid 1081569 tid 1081569 thread 0 bound to OS proc set {239}
OMP: pid 1081575 tid 1081575 thread 0 bound to OS proc set {240}
OMP: pid 1081573 tid 1081573 thread 0 bound to OS proc set {241}
OMP: pid 1081507 tid 1081507 thread 0 bound to OS proc set {242}
OMP: pid 1081571 tid 1081571 thread 0 bound to OS proc set {243}
OMP: pid 1081474 tid 1081474 thread 0 bound to OS proc set {244}
OMP: pid 1081576 tid 1081576 thread 0 bound to OS proc set {245}
OMP: pid 1081456 tid 1081456 thread 0 bound to OS proc set {247}
OMP: pid 1081426 tid 1081426 thread 0 bound to OS proc set {248}
OMP: pid 1081568 tid 1081568 thread 0 bound to OS proc set {249}
OMP: pid 1081412 tid 1081412 thread 0 bound to OS proc set {250}
OMP: pid 1081503 tid 1081503 thread 0 bound to OS proc set {252}
OMP: pid 1081415 tid 1081415 thread 0 bound to OS proc set {254}
OMP: pid 1081520 tid 1081520 thread 0 bound to OS proc set {255}
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1600 -1.1599871e+08 0 -1.0922176e+08 18703.984
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
Loop time of 0.657663 on 256 procs for 10 steps with 32768000 atoms
Performance: 6.569 ns/day, 3.654 hours/ns, 15.205 timesteps/s, 498.249 Matom-step/s
97.9% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.43371 | 0.44986 | 0.46816 | 0.8 | 68.40
Neigh | 0.02686 | 0.028745 | 0.030413 | 0.5 | 4.37
Comm | 0.072393 | 0.087759 | 0.10671 | 2.1 | 13.34
Output | 0.002973 | 0.0038691 | 0.0054758 | 0.9 | 0.59
Modify | 0.05286 | 0.067518 | 0.077457 | 1.7 | 10.27
Other | | 0.01991 | | | 3.03
Nlocal: 128000 ave 128127 max 127867 min
Histogram: 4 14 23 26 63 44 35 24 16 7
Nghost: 49871 ave 50004 max 49744 min
Histogram: 7 16 22 36 43 63 27 24 13 5
Neighs: 4.81815e+06 ave 4.84289e+06 max 4.79425e+06 min
Histogram: 26 42 51 9 0 0 18 49 44 17
Total # of neighbors = 1.2334455e+09
Ave neighs/atom = 37.641769
Neighbor list builds = 1
Dangerous builds = 0
----------------------------------------------------------
Using INTEL Package without Coprocessor.
Compiler: Intel LLVM C++ 202501.0 / Intel(R) oneAPI DPC++/C++ Compiler 2025.1.1 (2025.1.1.20250418)
SIMD compiler directives: Enabled
Precision: mixed
----------------------------------------------------------
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 1067 | 1120 | 1175 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.7934 -1.1121047e+08 0 -1.091952e+08 64942.604
50 780.89876 -1.1250693e+08 0 -1.0919936e+08 52278.945
100 798.34169 -1.1258126e+08 0 -1.0919981e+08 51472.984
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.287
200 797.61738 -1.1257821e+08 0 -1.0919982e+08 51537.352
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.071
300 797.68646 -1.125785e+08 0 -1.0919982e+08 51538.823
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.47
400 797.74785 -1.1257875e+08 0 -1.0919981e+08 51540.399
450 797.84598 -1.1257917e+08 0 -1.0919981e+08 51536.933
500 797.72449 -1.1257864e+08 0 -1.091998e+08 51543.024
510 797.68253 -1.1257846e+08 0 -1.091998e+08 51545.152
Loop time of 34.0079 on 256 procs for 500 steps with 32768000 atoms
Performance: 6.351 ns/day, 3.779 hours/ns, 14.702 timesteps/s, 481.770 Matom-step/s
99.5% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 22.241 | 22.512 | 23.109 | 1.9 | 66.20
Neigh | 2.493 | 2.5344 | 2.7638 | 1.5 | 7.45
Comm | 3.7048 | 4.1559 | 4.4395 | 5.8 | 12.22
Output | 0.029506 | 0.034763 | 0.041079 | 1.1 | 0.10
Modify | 3.5588 | 3.865 | 4.0617 | 5.5 | 11.36
Other | | 0.9055 | | | 2.66
Nlocal: 128000 ave 128318 max 127678 min
Histogram: 5 17 25 37 42 39 44 25 17 5
Nghost: 49867.6 ave 50189 max 49551 min
Histogram: 7 16 24 42 41 41 38 25 16 6
Neighs: 4.83163e+06 ave 4.86165e+06 max 4.79904e+06 min
Histogram: 6 18 38 38 21 18 39 39 33 6
Total # of neighbors = 1.2368967e+09
Ave neighs/atom = 37.747091
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:00:35
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Your experiment path is /scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/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=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/scratch/users/amazouz/QAAS/service/LAMMPS/174-732-6643/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1747327099/tools/lprof_npsu_run_0 #
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