* [MAQAO] Info: Detected 238 Lprof instances in isix02.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 65222 isix02.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 65231 isix02.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 65272 isix02.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 65225 isix02.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 65179 isix02.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 65230 isix02.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 65201 isix02.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 65245 isix02.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 65057 isix02.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 65258 isix02.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 65240 isix02.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 65282 isix02.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 65127 isix02.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 65215 isix02.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 65262 isix02.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 65264 isix02.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 65227 isix02.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 65166 isix02.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 65116 isix02.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 65138 isix02.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 65260 isix02.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 65038 isix02.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 65212 isix02.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 65206 isix02.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 65233 isix02.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 65224 isix02.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 65075 isix02.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 65271 isix02.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 65172 isix02.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 65210 isix02.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 65263 isix02.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 65239 isix02.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 65253 isix02.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 65284 isix02.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 65048 isix02.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 65199 isix02.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 65203 isix02.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 65045 isix02.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 65228 isix02.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 65242 isix02.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 65050 isix02.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 65261 isix02.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 65249 isix02.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 65173 isix02.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 65125 isix02.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 65259 isix02.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 65207 isix02.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 65150 isix02.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 65158 isix02.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 65177 isix02.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 65163 isix02.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 65157 isix02.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 65039 isix02.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 65062 isix02.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 65238 isix02.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 65281 isix02.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 65188 isix02.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 65086 isix02.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 65197 isix02.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 65175 isix02.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 65286 isix02.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 65128 isix02.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 65090 isix02.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 65078 isix02.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 65277 isix02.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 65205 isix02.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 65226 isix02.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 65047 isix02.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 65121 isix02.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 65137 isix02.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 65182 isix02.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 65042 isix02.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 65155 isix02.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 65208 isix02.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 65084 isix02.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 65289 isix02.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 65076 isix02.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 65082 isix02.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 65101 isix02.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 65170 isix02.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 65178 isix02.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 65237 isix02.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 65135 isix02.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 65280 isix02.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 65248 isix02.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 65066 isix02.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 65153 isix02.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 65254 isix02.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 65117 isix02.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 65037 isix02.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 65154 isix02.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 65267 isix02.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 65269 isix02.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 65087 isix02.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 65077 isix02.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 65202 isix02.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 65278 isix02.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 65283 isix02.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 65184 isix02.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 65279 isix02.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 65079 isix02.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 65046 isix02.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 65270 isix02.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 65211 isix02.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 65054 isix02.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 65209 isix02.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 65214 isix02.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 65106 isix02.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 65053 isix02.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 65193 isix02.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 65198 isix02.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 65159 isix02.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 65223 isix02.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 65218 isix02.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 65266 isix02.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 65144 isix02.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 65132 isix02.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 65250 isix02.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 65107 isix02.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 65274 isix02.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 65043 isix02.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 65164 isix02.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 65285 isix02.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 65052 isix02.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 65265 isix02.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 65268 isix02.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 65219 isix02.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 65165 isix02.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 65058 isix02.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 65167 isix02.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 65235 isix02.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 65247 isix02.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 65103 isix02.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 65191 isix02.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 65221 isix02.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 65122 isix02.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 65104 isix02.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 65192 isix02.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 65236 isix02.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 65041 isix02.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 65123 isix02.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 65133 isix02.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 65068 isix02.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 65287 isix02.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 65069 isix02.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 65130 isix02.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 65083 isix02.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 65126 isix02.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 65051 isix02.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 65256 isix02.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 65187 isix02.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 65195 isix02.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 65257 isix02.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 65196 isix02.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 65220 isix02.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 65143 isix02.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 65180 isix02.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 65241 isix02.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 65067 isix02.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 65095 isix02.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 65071 isix02.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 65140 isix02.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 65142 isix02.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 65252 isix02.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 65204 isix02.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 65085 isix02.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 65146 isix02.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 65049 isix02.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 65092 isix02.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 65081 isix02.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 65147 isix02.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 65124 isix02.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 65149 isix02.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 65070 isix02.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 65181 isix02.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 65080 isix02.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 65072 isix02.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 65216 isix02.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 65232 isix02.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 65094 isix02.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 65145 isix02.benchmarkcenter.megware.com {180}
[0] MPI startup(): 181 65105 isix02.benchmarkcenter.megware.com {181}
[0] MPI startup(): 182 65168 isix02.benchmarkcenter.megware.com {182}
[0] MPI startup(): 183 65174 isix02.benchmarkcenter.megware.com {183}
[0] MPI startup(): 184 65129 isix02.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 65134 isix02.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 65118 isix02.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 65119 isix02.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 65161 isix02.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 65074 isix02.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 65293 isix02.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 65108 isix02.benchmarkcenter.megware.com {191}
[0] MPI startup(): 192 65040 isix02.benchmarkcenter.megware.com {192}
[0] MPI startup(): 193 65294 isix02.benchmarkcenter.megware.com {193}
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[0] MPI startup(): 196 65139 isix02.benchmarkcenter.megware.com {196}
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[0] MPI startup(): 201 65162 isix02.benchmarkcenter.megware.com {201}
[0] MPI startup(): 202 65255 isix02.benchmarkcenter.megware.com {202}
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[0] MPI startup(): 204 65160 isix02.benchmarkcenter.megware.com {204}
[0] MPI startup(): 205 65109 isix02.benchmarkcenter.megware.com {205}
[0] MPI startup(): 206 65120 isix02.benchmarkcenter.megware.com {206}
[0] MPI startup(): 207 65194 isix02.benchmarkcenter.megware.com {207}
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[0] MPI startup(): 255 65112 isix02.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
----------------------------------------------------------
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 18703.979
10 475.79341 -1.1121047e+08 0 -1.091952e+08 64942.605
Loop time of 67.6555 on 256 procs for 10 steps with 32768000 atoms
Performance: 0.064 ns/day, 375.864 hours/ns, 0.148 timesteps/s, 4.843 Matom-step/s
78.5% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 21.226 | 37.342 | 51.661 | 88.5 | 55.19
Neigh | 0.091672 | 0.094826 | 0.10171 | 0.5 | 0.14
Comm | 7.88 | 20.993 | 36.337 | 126.9 | 31.03
Output | 0.022061 | 0.025123 | 0.029412 | 1.2 | 0.04
Modify | 0.028711 | 0.04227 | 0.061982 | 2.4 | 0.06
Other | | 9.158 | | | 13.54
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
10 475.79341 -1.1121047e+08 0 -1.091952e+08 64942.605
50 780.89878 -1.1250693e+08 0 -1.0919936e+08 52278.947
100 798.34168 -1.1258126e+08 0 -1.0919981e+08 51472.989
150 797.64371 -1.1257832e+08 0 -1.0919982e+08 51525.288
200 797.61741 -1.1257821e+08 0 -1.0919982e+08 51537.354
250 797.85529 -1.1257922e+08 0 -1.0919983e+08 51529.072
300 797.68652 -1.125785e+08 0 -1.0919982e+08 51538.826
350 797.80492 -1.12579e+08 0 -1.0919982e+08 51537.48
400 797.74806 -1.1257875e+08 0 -1.0919981e+08 51540.401
450 797.84591 -1.1257917e+08 0 -1.0919981e+08 51536.941
500 797.72485 -1.1257864e+08 0 -1.091998e+08 51543.019
510 797.68294 -1.1257846e+08 0 -1.091998e+08 51545.146
Loop time of 76.0955 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.839 ns/day, 8.455 hours/ns, 6.571 timesteps/s, 215.308 Matom-step/s
98.7% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 58.462 | 59.627 | 61.672 | 6.9 | 78.36
Neigh | 8.4011 | 8.7366 | 9.3744 | 8.8 | 11.48
Comm | 2.0195 | 4.1628 | 6.3549 | 41.5 | 5.47
Output | 0.023705 | 0.061708 | 0.11278 | 8.7 | 0.08
Modify | 1.1252 | 2.4347 | 3.1299 | 30.9 | 3.20
Other | | 1.073 | | | 1.41
Nlocal: 128000 ave 128315 max 127672 min
Histogram: 5 15 27 34 43 40 45 22 18 7
Nghost: 49867.6 ave 50195 max 49554 min
Histogram: 7 17 24 45 40 44 32 26 16 5
Neighs: 4.83163e+06 ave 4.86164e+06 max 4.79879e+06 min
Histogram: 5 18 37 40 21 18 39 39 33 6
Total # of neighbors = 1.2368964e+09
Ave neighs/atom = 37.747082
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:02:29
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/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_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/defaults/gcc/oneview_results_1758042386/tools/lprof_npsu_run_0 #
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