* [MAQAO] Info: Detected 256 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 286837 isix02.benchmarkcenter.megware.com {0}
[0] MPI startup(): 1 286697 isix02.benchmarkcenter.megware.com {1}
[0] MPI startup(): 2 286751 isix02.benchmarkcenter.megware.com {2}
[0] MPI startup(): 3 286792 isix02.benchmarkcenter.megware.com {3}
[0] MPI startup(): 4 286769 isix02.benchmarkcenter.megware.com {4}
[0] MPI startup(): 5 286817 isix02.benchmarkcenter.megware.com {5}
[0] MPI startup(): 6 286754 isix02.benchmarkcenter.megware.com {6}
[0] MPI startup(): 7 286871 isix02.benchmarkcenter.megware.com {7}
[0] MPI startup(): 8 286737 isix02.benchmarkcenter.megware.com {8}
[0] MPI startup(): 9 286889 isix02.benchmarkcenter.megware.com {9}
[0] MPI startup(): 10 286940 isix02.benchmarkcenter.megware.com {10}
[0] MPI startup(): 11 286941 isix02.benchmarkcenter.megware.com {11}
[0] MPI startup(): 12 286861 isix02.benchmarkcenter.megware.com {12}
[0] MPI startup(): 13 286938 isix02.benchmarkcenter.megware.com {13}
[0] MPI startup(): 14 286809 isix02.benchmarkcenter.megware.com {14}
[0] MPI startup(): 15 286832 isix02.benchmarkcenter.megware.com {15}
[0] MPI startup(): 16 286875 isix02.benchmarkcenter.megware.com {16}
[0] MPI startup(): 17 286947 isix02.benchmarkcenter.megware.com {17}
[0] MPI startup(): 18 286713 isix02.benchmarkcenter.megware.com {18}
[0] MPI startup(): 19 286943 isix02.benchmarkcenter.megware.com {19}
[0] MPI startup(): 20 286801 isix02.benchmarkcenter.megware.com {20}
[0] MPI startup(): 21 286931 isix02.benchmarkcenter.megware.com {21}
[0] MPI startup(): 22 286738 isix02.benchmarkcenter.megware.com {22}
[0] MPI startup(): 23 286800 isix02.benchmarkcenter.megware.com {23}
[0] MPI startup(): 24 286826 isix02.benchmarkcenter.megware.com {24}
[0] MPI startup(): 25 286939 isix02.benchmarkcenter.megware.com {25}
[0] MPI startup(): 26 286689 isix02.benchmarkcenter.megware.com {26}
[0] MPI startup(): 27 286883 isix02.benchmarkcenter.megware.com {27}
[0] MPI startup(): 28 286850 isix02.benchmarkcenter.megware.com {28}
[0] MPI startup(): 29 286855 isix02.benchmarkcenter.megware.com {29}
[0] MPI startup(): 30 286904 isix02.benchmarkcenter.megware.com {30}
[0] MPI startup(): 31 286693 isix02.benchmarkcenter.megware.com {31}
[0] MPI startup(): 32 286806 isix02.benchmarkcenter.megware.com {32}
[0] MPI startup(): 33 286893 isix02.benchmarkcenter.megware.com {33}
[0] MPI startup(): 34 286895 isix02.benchmarkcenter.megware.com {34}
[0] MPI startup(): 35 286854 isix02.benchmarkcenter.megware.com {35}
[0] MPI startup(): 36 286853 isix02.benchmarkcenter.megware.com {36}
[0] MPI startup(): 37 286687 isix02.benchmarkcenter.megware.com {37}
[0] MPI startup(): 38 286815 isix02.benchmarkcenter.megware.com {38}
[0] MPI startup(): 39 286860 isix02.benchmarkcenter.megware.com {39}
[0] MPI startup(): 40 286781 isix02.benchmarkcenter.megware.com {40}
[0] MPI startup(): 41 286704 isix02.benchmarkcenter.megware.com {41}
[0] MPI startup(): 42 286932 isix02.benchmarkcenter.megware.com {42}
[0] MPI startup(): 43 286824 isix02.benchmarkcenter.megware.com {43}
[0] MPI startup(): 44 286878 isix02.benchmarkcenter.megware.com {44}
[0] MPI startup(): 45 286849 isix02.benchmarkcenter.megware.com {45}
[0] MPI startup(): 46 286865 isix02.benchmarkcenter.megware.com {46}
[0] MPI startup(): 47 286859 isix02.benchmarkcenter.megware.com {47}
[0] MPI startup(): 48 286838 isix02.benchmarkcenter.megware.com {48}
[0] MPI startup(): 49 286722 isix02.benchmarkcenter.megware.com {49}
[0] MPI startup(): 50 286743 isix02.benchmarkcenter.megware.com {50}
[0] MPI startup(): 51 286845 isix02.benchmarkcenter.megware.com {51}
[0] MPI startup(): 52 286816 isix02.benchmarkcenter.megware.com {52}
[0] MPI startup(): 53 286820 isix02.benchmarkcenter.megware.com {53}
[0] MPI startup(): 54 286765 isix02.benchmarkcenter.megware.com {54}
[0] MPI startup(): 55 286846 isix02.benchmarkcenter.megware.com {55}
[0] MPI startup(): 56 286786 isix02.benchmarkcenter.megware.com {56}
[0] MPI startup(): 57 286808 isix02.benchmarkcenter.megware.com {57}
[0] MPI startup(): 58 286791 isix02.benchmarkcenter.megware.com {58}
[0] MPI startup(): 59 286922 isix02.benchmarkcenter.megware.com {59}
[0] MPI startup(): 60 286708 isix02.benchmarkcenter.megware.com {60}
[0] MPI startup(): 61 286863 isix02.benchmarkcenter.megware.com {61}
[0] MPI startup(): 62 286894 isix02.benchmarkcenter.megware.com {62}
[0] MPI startup(): 63 286720 isix02.benchmarkcenter.megware.com {63}
[0] MPI startup(): 64 286714 isix02.benchmarkcenter.megware.com {64}
[0] MPI startup(): 65 286788 isix02.benchmarkcenter.megware.com {65}
[0] MPI startup(): 66 286721 isix02.benchmarkcenter.megware.com {66}
[0] MPI startup(): 67 286734 isix02.benchmarkcenter.megware.com {67}
[0] MPI startup(): 68 286856 isix02.benchmarkcenter.megware.com {68}
[0] MPI startup(): 69 286823 isix02.benchmarkcenter.megware.com {69}
[0] MPI startup(): 70 286688 isix02.benchmarkcenter.megware.com {70}
[0] MPI startup(): 71 286847 isix02.benchmarkcenter.megware.com {71}
[0] MPI startup(): 72 286790 isix02.benchmarkcenter.megware.com {72}
[0] MPI startup(): 73 286848 isix02.benchmarkcenter.megware.com {73}
[0] MPI startup(): 74 286746 isix02.benchmarkcenter.megware.com {74}
[0] MPI startup(): 75 286768 isix02.benchmarkcenter.megware.com {75}
[0] MPI startup(): 76 286785 isix02.benchmarkcenter.megware.com {76}
[0] MPI startup(): 77 286728 isix02.benchmarkcenter.megware.com {77}
[0] MPI startup(): 78 286858 isix02.benchmarkcenter.megware.com {78}
[0] MPI startup(): 79 286712 isix02.benchmarkcenter.megware.com {79}
[0] MPI startup(): 80 286784 isix02.benchmarkcenter.megware.com {80}
[0] MPI startup(): 81 286750 isix02.benchmarkcenter.megware.com {81}
[0] MPI startup(): 82 286831 isix02.benchmarkcenter.megware.com {82}
[0] MPI startup(): 83 286843 isix02.benchmarkcenter.megware.com {83}
[0] MPI startup(): 84 286821 isix02.benchmarkcenter.megware.com {84}
[0] MPI startup(): 85 286758 isix02.benchmarkcenter.megware.com {85}
[0] MPI startup(): 86 286921 isix02.benchmarkcenter.megware.com {86}
[0] MPI startup(): 87 286699 isix02.benchmarkcenter.megware.com {87}
[0] MPI startup(): 88 286763 isix02.benchmarkcenter.megware.com {88}
[0] MPI startup(): 89 286911 isix02.benchmarkcenter.megware.com {89}
[0] MPI startup(): 90 286892 isix02.benchmarkcenter.megware.com {90}
[0] MPI startup(): 91 286735 isix02.benchmarkcenter.megware.com {91}
[0] MPI startup(): 92 286736 isix02.benchmarkcenter.megware.com {92}
[0] MPI startup(): 93 286830 isix02.benchmarkcenter.megware.com {93}
[0] MPI startup(): 94 286918 isix02.benchmarkcenter.megware.com {94}
[0] MPI startup(): 95 286700 isix02.benchmarkcenter.megware.com {95}
[0] MPI startup(): 96 286764 isix02.benchmarkcenter.megware.com {96}
[0] MPI startup(): 97 286807 isix02.benchmarkcenter.megware.com {97}
[0] MPI startup(): 98 286797 isix02.benchmarkcenter.megware.com {98}
[0] MPI startup(): 99 286756 isix02.benchmarkcenter.megware.com {99}
[0] MPI startup(): 100 286852 isix02.benchmarkcenter.megware.com {100}
[0] MPI startup(): 101 286695 isix02.benchmarkcenter.megware.com {101}
[0] MPI startup(): 102 286920 isix02.benchmarkcenter.megware.com {102}
[0] MPI startup(): 103 286773 isix02.benchmarkcenter.megware.com {103}
[0] MPI startup(): 104 286910 isix02.benchmarkcenter.megware.com {104}
[0] MPI startup(): 105 286715 isix02.benchmarkcenter.megware.com {105}
[0] MPI startup(): 106 286749 isix02.benchmarkcenter.megware.com {106}
[0] MPI startup(): 107 286873 isix02.benchmarkcenter.megware.com {107}
[0] MPI startup(): 108 286819 isix02.benchmarkcenter.megware.com {108}
[0] MPI startup(): 109 286930 isix02.benchmarkcenter.megware.com {109}
[0] MPI startup(): 110 286798 isix02.benchmarkcenter.megware.com {110}
[0] MPI startup(): 111 286741 isix02.benchmarkcenter.megware.com {111}
[0] MPI startup(): 112 286795 isix02.benchmarkcenter.megware.com {112}
[0] MPI startup(): 113 286705 isix02.benchmarkcenter.megware.com {113}
[0] MPI startup(): 114 286891 isix02.benchmarkcenter.megware.com {114}
[0] MPI startup(): 115 286706 isix02.benchmarkcenter.megware.com {115}
[0] MPI startup(): 116 286884 isix02.benchmarkcenter.megware.com {116}
[0] MPI startup(): 117 286740 isix02.benchmarkcenter.megware.com {117}
[0] MPI startup(): 118 286825 isix02.benchmarkcenter.megware.com {118}
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[0] MPI startup(): 120 286928 isix02.benchmarkcenter.megware.com {120}
[0] MPI startup(): 121 286731 isix02.benchmarkcenter.megware.com {121}
[0] MPI startup(): 122 286888 isix02.benchmarkcenter.megware.com {122}
[0] MPI startup(): 123 286703 isix02.benchmarkcenter.megware.com {123}
[0] MPI startup(): 124 286804 isix02.benchmarkcenter.megware.com {124}
[0] MPI startup(): 125 286913 isix02.benchmarkcenter.megware.com {125}
[0] MPI startup(): 126 286936 isix02.benchmarkcenter.megware.com {126}
[0] MPI startup(): 127 286909 isix02.benchmarkcenter.megware.com {127}
[0] MPI startup(): 128 286771 isix02.benchmarkcenter.megware.com {128}
[0] MPI startup(): 129 286899 isix02.benchmarkcenter.megware.com {129}
[0] MPI startup(): 130 286755 isix02.benchmarkcenter.megware.com {130}
[0] MPI startup(): 131 286725 isix02.benchmarkcenter.megware.com {131}
[0] MPI startup(): 132 286866 isix02.benchmarkcenter.megware.com {132}
[0] MPI startup(): 133 286914 isix02.benchmarkcenter.megware.com {133}
[0] MPI startup(): 134 286834 isix02.benchmarkcenter.megware.com {134}
[0] MPI startup(): 135 286844 isix02.benchmarkcenter.megware.com {135}
[0] MPI startup(): 136 286934 isix02.benchmarkcenter.megware.com {136}
[0] MPI startup(): 137 286879 isix02.benchmarkcenter.megware.com {137}
[0] MPI startup(): 138 286870 isix02.benchmarkcenter.megware.com {138}
[0] MPI startup(): 139 286868 isix02.benchmarkcenter.megware.com {139}
[0] MPI startup(): 140 286864 isix02.benchmarkcenter.megware.com {140}
[0] MPI startup(): 141 286923 isix02.benchmarkcenter.megware.com {141}
[0] MPI startup(): 142 286898 isix02.benchmarkcenter.megware.com {142}
[0] MPI startup(): 143 286829 isix02.benchmarkcenter.megware.com {143}
[0] MPI startup(): 144 286698 isix02.benchmarkcenter.megware.com {144}
[0] MPI startup(): 145 286753 isix02.benchmarkcenter.megware.com {145}
[0] MPI startup(): 146 286903 isix02.benchmarkcenter.megware.com {146}
[0] MPI startup(): 147 286901 isix02.benchmarkcenter.megware.com {147}
[0] MPI startup(): 148 286933 isix02.benchmarkcenter.megware.com {148}
[0] MPI startup(): 149 286869 isix02.benchmarkcenter.megware.com {149}
[0] MPI startup(): 150 286876 isix02.benchmarkcenter.megware.com {150}
[0] MPI startup(): 151 286842 isix02.benchmarkcenter.megware.com {151}
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[0] MPI startup(): 153 286779 isix02.benchmarkcenter.megware.com {153}
[0] MPI startup(): 154 286907 isix02.benchmarkcenter.megware.com {154}
[0] MPI startup(): 155 286805 isix02.benchmarkcenter.megware.com {155}
[0] MPI startup(): 156 286937 isix02.benchmarkcenter.megware.com {156}
[0] MPI startup(): 157 286716 isix02.benchmarkcenter.megware.com {157}
[0] MPI startup(): 158 286882 isix02.benchmarkcenter.megware.com {158}
[0] MPI startup(): 159 286906 isix02.benchmarkcenter.megware.com {159}
[0] MPI startup(): 160 286767 isix02.benchmarkcenter.megware.com {160}
[0] MPI startup(): 161 286822 isix02.benchmarkcenter.megware.com {161}
[0] MPI startup(): 162 286814 isix02.benchmarkcenter.megware.com {162}
[0] MPI startup(): 163 286777 isix02.benchmarkcenter.megware.com {163}
[0] MPI startup(): 164 286915 isix02.benchmarkcenter.megware.com {164}
[0] MPI startup(): 165 286877 isix02.benchmarkcenter.megware.com {165}
[0] MPI startup(): 166 286770 isix02.benchmarkcenter.megware.com {166}
[0] MPI startup(): 167 286874 isix02.benchmarkcenter.megware.com {167}
[0] MPI startup(): 168 286887 isix02.benchmarkcenter.megware.com {168}
[0] MPI startup(): 169 286759 isix02.benchmarkcenter.megware.com {169}
[0] MPI startup(): 170 286867 isix02.benchmarkcenter.megware.com {170}
[0] MPI startup(): 171 286880 isix02.benchmarkcenter.megware.com {171}
[0] MPI startup(): 172 286761 isix02.benchmarkcenter.megware.com {172}
[0] MPI startup(): 173 286890 isix02.benchmarkcenter.megware.com {173}
[0] MPI startup(): 174 286719 isix02.benchmarkcenter.megware.com {174}
[0] MPI startup(): 175 286707 isix02.benchmarkcenter.megware.com {175}
[0] MPI startup(): 176 286745 isix02.benchmarkcenter.megware.com {176}
[0] MPI startup(): 177 286935 isix02.benchmarkcenter.megware.com {177}
[0] MPI startup(): 178 286799 isix02.benchmarkcenter.megware.com {178}
[0] MPI startup(): 179 286885 isix02.benchmarkcenter.megware.com {179}
[0] MPI startup(): 180 286730 isix02.benchmarkcenter.megware.com {180}
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[0] MPI startup(): 184 286902 isix02.benchmarkcenter.megware.com {184}
[0] MPI startup(): 185 286851 isix02.benchmarkcenter.megware.com {185}
[0] MPI startup(): 186 286723 isix02.benchmarkcenter.megware.com {186}
[0] MPI startup(): 187 286752 isix02.benchmarkcenter.megware.com {187}
[0] MPI startup(): 188 286944 isix02.benchmarkcenter.megware.com {188}
[0] MPI startup(): 189 286711 isix02.benchmarkcenter.megware.com {189}
[0] MPI startup(): 190 286796 isix02.benchmarkcenter.megware.com {190}
[0] MPI startup(): 191 286946 isix02.benchmarkcenter.megware.com {191}
[0] MPI startup(): 192 286729 isix02.benchmarkcenter.megware.com {192}
[0] MPI startup(): 193 286828 isix02.benchmarkcenter.megware.com {193}
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[0] MPI startup(): 195 286926 isix02.benchmarkcenter.megware.com {195}
[0] MPI startup(): 196 286702 isix02.benchmarkcenter.megware.com {196}
[0] MPI startup(): 197 286803 isix02.benchmarkcenter.megware.com {197}
[0] MPI startup(): 198 286802 isix02.benchmarkcenter.megware.com {198}
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[0] MPI startup(): 206 286886 isix02.benchmarkcenter.megware.com {206}
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[0] MPI startup(): 219 286949 isix02.benchmarkcenter.megware.com {219}
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[0] MPI startup(): 255 286710 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 = 0.020 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 80.3701 on 256 procs for 10 steps with 32768000 atoms
Performance: 0.054 ns/day, 446.500 hours/ns, 0.124 timesteps/s, 4.077 Matom-step/s
88.5% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 11.555 | 40.394 | 65.469 | 153.1 | 50.26
Neigh | 0.088881 | 0.093491 | 0.099371 | 1.0 | 0.12
Comm | 14.72 | 39.793 | 68.631 | 154.1 | 49.51
Output | 0.0027527 | 0.0059854 | 0.011134 | 2.3 | 0.01
Modify | 0.01961 | 0.039199 | 0.048914 | 3.1 | 0.05
Other | | 0.04438 | | | 0.06
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 76.0041 on 256 procs for 500 steps with 32768000 atoms
Performance: 2.842 ns/day, 8.445 hours/ns, 6.579 timesteps/s, 215.567 Matom-step/s
98.4% CPU use with 256 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 57.341 | 58.509 | 60.992 | 7.5 | 76.98
Neigh | 7.8458 | 8.1468 | 8.7233 | 8.9 | 10.72
Comm | 3.509 | 5.7153 | 7.8191 | 35.0 | 7.52
Output | 0.027829 | 0.066286 | 0.12065 | 8.4 | 0.09
Modify | 1.3009 | 2.4341 | 3.1212 | 33.3 | 3.20
Other | | 1.133 | | | 1.49
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: 0:03:03
[MAQAO] Info: 166/256 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-803-9852/intel/LAMMPS/run/oneview_runs/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/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/compilers/gcc_3/oneview_results_1758052181/tools/lprof_npsu_run_0 #
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