* [MAQAO] Info: Detected 213 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 262107 isix03.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 262239 isix03.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 262154 isix03.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 262310 isix03.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 262175 isix03.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 262296 isix03.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 262163 isix03.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 262306 isix03.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 262178 isix03.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 262298 isix03.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 262225 isix03.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 262242 isix03.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 262237 isix03.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 262295 isix03.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 262313 isix03.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 262139 isix03.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 262238 isix03.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 262325 isix03.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 262290 isix03.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 262243 isix03.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 262264 isix03.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 262248 isix03.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 262357 isix03.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 262259 isix03.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 262241 isix03.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 262240 isix03.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 262283 isix03.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 262157 isix03.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 262302 isix03.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 262174 isix03.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 262164 isix03.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 262326 isix03.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 262299 isix03.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 262304 isix03.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 262316 isix03.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 262282 isix03.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 262318 isix03.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 262160 isix03.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 262281 isix03.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 262102 isix03.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 262161 isix03.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 262288 isix03.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 262146 isix03.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 262135 isix03.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 262340 isix03.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 262315 isix03.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 262265 isix03.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 262235 isix03.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 262100 isix03.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 262256 isix03.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 262345 isix03.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 262309 isix03.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 262132 isix03.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 262143 isix03.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 262266 isix03.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 262294 isix03.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 262138 isix03.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 262336 isix03.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 262234 isix03.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 262162 isix03.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 262166 isix03.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 262335 isix03.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 262308 isix03.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 262170 isix03.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 262149 isix03.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 262323 isix03.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 262312 isix03.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 262158 isix03.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 262305 isix03.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 262319 isix03.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 262347 isix03.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 262343 isix03.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 262344 isix03.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 262118 isix03.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 262112 isix03.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 262147 isix03.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 262152 isix03.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 262320 isix03.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 262291 isix03.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 262297 isix03.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 262173 isix03.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 262142 isix03.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 262324 isix03.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 262355 isix03.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 262236 isix03.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 262136 isix03.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 262153 isix03.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 262311 isix03.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 262358 isix03.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 262220 isix03.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 262332 isix03.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 262141 isix03.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 262104 isix03.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 262263 isix03.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 262287 isix03.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 262327 isix03.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 262279 isix03.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 262184 isix03.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 262148 isix03.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 262307 isix03.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 262303 isix03.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 262314 isix03.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 262333 isix03.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 262301 isix03.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 262186 isix03.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 262126 isix03.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 262101 isix03.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 262277 isix03.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 262331 isix03.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 262190 isix03.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 262195 isix03.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 262348 isix03.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 262224 isix03.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 262108 isix03.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 262255 isix03.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 262354 isix03.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 262189 isix03.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 262113 isix03.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 262330 isix03.benchmarkcenter.megware.com {118}
[0] MPI startup(): 119 262247 isix03.benchmarkcenter.megware.com {119}
[0] MPI startup(): 120 262249 isix03.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 262338 isix03.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 262289 isix03.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 262109 isix03.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 262183 isix03.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 262185 isix03.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 262125 isix03.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 262205 isix03.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 262231 isix03.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 262140 isix03.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 262123 isix03.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 262134 isix03.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 262191 isix03.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 262145 isix03.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 262284 isix03.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 262218 isix03.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 262150 isix03.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 262252 isix03.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 262273 isix03.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 262169 isix03.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 262192 isix03.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 262167 isix03.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 262124 isix03.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 262144 isix03.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 262121 isix03.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 262270 isix03.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 262353 isix03.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 262133 isix03.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 262293 isix03.benchmarkcenter.megware.com {148}
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[0] MPI startup(): 151 262285 isix03.benchmarkcenter.megware.com {151}
[0] MPI startup(): 152 262116 isix03.benchmarkcenter.megware.com {152}
[0] MPI startup(): 153 262180 isix03.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 262339 isix03.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 262117 isix03.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 262244 isix03.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 262272 isix03.benchmarkcenter.megware.com {157}
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[0] MPI startup(): 159 262114 isix03.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 262110 isix03.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 262105 isix03.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 262156 isix03.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 262274 isix03.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 262300 isix03.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 262280 isix03.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 262269 isix03.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 262322 isix03.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 262115 isix03.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 262329 isix03.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 262103 isix03.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 262197 isix03.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 262181 isix03.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 262159 isix03.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 262213 isix03.benchmarkcenter.megware.com {174}
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[0] MPI startup(): 176 262196 isix03.benchmarkcenter.megware.com {176}
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[0] MPI startup(): 183 262245 isix03.benchmarkcenter.megware.com {183}
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[0] MPI startup(): 185 262267 isix03.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 262254 isix03.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 262211 isix03.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 262246 isix03.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 262217 isix03.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 262214 isix03.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 262130 isix03.benchmarkcenter.megware.com {191}
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[0] MPI startup(): 193 262171 isix03.benchmarkcenter.megware.com {193}
[0] MPI startup(): 194 262210 isix03.benchmarkcenter.megware.com {194}
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[0] MPI startup(): 196 262341 isix03.benchmarkcenter.megware.com {196}
[0] MPI startup(): 197 262177 isix03.benchmarkcenter.megware.com {197}
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[0] MPI startup(): 203 262198 isix03.benchmarkcenter.megware.com {203}
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[0] MPI startup(): 255 262257 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 = 0.018 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 116.832 on 256 procs for 10 steps with 32768000 atoms
Performance: 0.037 ns/day, 649.066 hours/ns, 0.086 timesteps/s, 2.805 Matom-step/s
83.6% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 26.863 | 46.845 | 71.786 | 105.7 | 40.10
Neigh | 0.1508 | 0.1598 | 0.17368 | 1.4 | 0.14
Comm | 27.577 | 51.535 | 78.194 | 118.2 | 44.11
Output | 0.023827 | 0.024559 | 0.026474 | 0.4 | 0.02
Modify | 0.01741 | 0.025769 | 0.038954 | 2.0 | 0.02
Other | | 18.24 | | | 15.61
Nlocal: 128000 ave 128127 max 127867 min
Histogram: 4 14 23 26 63 44 35 24 16 7
Nghost: 49871 ave 50004 max 49744 min
Histogram: 7 16 23 35 43 63 27 24 13 5
Neighs: 4.81815e+06 ave 4.84288e+06 max 4.79424e+06 min
Histogram: 26 42 51 9 0 0 18 49 44 17
Total # of neighbors = 1.2334454e+09
Ave neighs/atom = 37.641767
Neighbor list builds = 1
Dangerous builds = 0
Setting up Verlet run ...
Unit style : metal
Current step : 10
Time step : 0.005
Per MPI rank memory allocation (min/avg/max) = 53.49 | 54.31 | 55.65 Mbytes
Step Temp E_pair E_mol TotEng Press
10 475.79342 -1.1121048e+08 0 -1.0919521e+08 64942.612
50 780.89879 -1.1250694e+08 0 -1.0919937e+08 52278.952
100 798.34164 -1.1258126e+08 0 -1.0919981e+08 51472.994
150 797.64373 -1.1257832e+08 0 -1.0919982e+08 51525.291
200 797.61739 -1.1257821e+08 0 -1.0919983e+08 51537.361
250 797.85512 -1.1257922e+08 0 -1.0919983e+08 51529.084
300 797.68652 -1.125785e+08 0 -1.0919983e+08 51538.828
350 797.80485 -1.12579e+08 0 -1.0919982e+08 51537.471
400 797.7478 -1.1257876e+08 0 -1.0919982e+08 51540.406
450 797.84567 -1.1257917e+08 0 -1.0919982e+08 51536.952
500 797.72463 -1.1257864e+08 0 -1.0919981e+08 51543.012
510 797.68246 -1.1257846e+08 0 -1.091998e+08 51545.168
Loop time of 97.3874 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.218 ns/day, 10.821 hours/ns, 5.134 timesteps/s, 168.235 Matom-step/s
98.6% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 72.487 | 74.74 | 78.065 | 11.5 | 76.75
Neigh | 14.127 | 14.711 | 15.912 | 12.3 | 15.11
Comm | 1.4743 | 5.0544 | 8.2784 | 58.3 | 5.19
Output | 0.026018 | 0.03051 | 0.042493 | 1.9 | 0.03
Modify | 0.88475 | 1.6756 | 2.1976 | 29.8 | 1.72
Other | | 1.176 | | | 1.21
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: 0:03:35
[MAQAO] Info: 63/256 lprof instances finished
[MAQAO] Info: 65/256 lprof instances finished
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[MAQAO] Info: 165/256 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758054871/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_ZEN5/175-803-9958/intel/LAMMPS/run/oneview_runs/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/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/compilers/gcc_5/oneview_results_1758054871/tools/lprof_npsu_run_0 #
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