* [MAQAO] Info: Detected 192 Lprof instances in gmz12.benchmarkcenter.megware.com.
If this is incorrect, rerun with number-processes-per-node=X
[0] MPI startup(): Intel(R) MPI Library, Version 2021.11 Build 20231005 (id: 74c4a23)
[0] MPI startup(): Copyright (C) 2003-2023 Intel Corporation. All rights reserved.
[0] MPI startup(): library kind: release
[0] MPI startup(): File "" not found
[0] MPI startup(): Load tuning file: "/cluster/intel/oneapi/2024.0.0/mpi/2021.11/opt/mpi/etc/tuning_generic_shm.dat"
[0] MPI startup(): Rank Pid Node name Pin cpu
[0] MPI startup(): 0 750834 gmz12.benchmarkcenter.megware.com 0
[0] MPI startup(): 1 750669 gmz12.benchmarkcenter.megware.com 1
[0] MPI startup(): 2 750668 gmz12.benchmarkcenter.megware.com 2
[0] MPI startup(): 3 750724 gmz12.benchmarkcenter.megware.com 3
[0] MPI startup(): 4 750833 gmz12.benchmarkcenter.megware.com 4
[0] MPI startup(): 5 750740 gmz12.benchmarkcenter.megware.com 5
[0] MPI startup(): 6 750767 gmz12.benchmarkcenter.megware.com 6
[0] MPI startup(): 7 750770 gmz12.benchmarkcenter.megware.com 7
[0] MPI startup(): 8 750763 gmz12.benchmarkcenter.megware.com 8
[0] MPI startup(): 9 750679 gmz12.benchmarkcenter.megware.com 9
[0] MPI startup(): 10 750741 gmz12.benchmarkcenter.megware.com 10
[0] MPI startup(): 11 750802 gmz12.benchmarkcenter.megware.com 11
[0] MPI startup(): 12 750831 gmz12.benchmarkcenter.megware.com 12
[0] MPI startup(): 13 750742 gmz12.benchmarkcenter.megware.com 13
[0] MPI startup(): 14 750682 gmz12.benchmarkcenter.megware.com 14
[0] MPI startup(): 15 750803 gmz12.benchmarkcenter.megware.com 15
[0] MPI startup(): 16 750832 gmz12.benchmarkcenter.megware.com 16
[0] MPI startup(): 17 750693 gmz12.benchmarkcenter.megware.com 17
[0] MPI startup(): 18 750683 gmz12.benchmarkcenter.megware.com 18
[0] MPI startup(): 19 750800 gmz12.benchmarkcenter.megware.com 19
[0] MPI startup(): 20 750726 gmz12.benchmarkcenter.megware.com 20
[0] MPI startup(): 21 750760 gmz12.benchmarkcenter.megware.com 21
[0] MPI startup(): 22 750757 gmz12.benchmarkcenter.megware.com 22
[0] MPI startup(): 23 750839 gmz12.benchmarkcenter.megware.com 23
[0] MPI startup(): 24 750729 gmz12.benchmarkcenter.megware.com 24
[0] MPI startup(): 25 750844 gmz12.benchmarkcenter.megware.com 25
[0] MPI startup(): 26 750841 gmz12.benchmarkcenter.megware.com 26
[0] MPI startup(): 27 750787 gmz12.benchmarkcenter.megware.com 27
[0] MPI startup(): 28 750695 gmz12.benchmarkcenter.megware.com 28
[0] MPI startup(): 29 750835 gmz12.benchmarkcenter.megware.com 29
[0] MPI startup(): 30 750771 gmz12.benchmarkcenter.megware.com 30
[0] MPI startup(): 31 750813 gmz12.benchmarkcenter.megware.com 31
[0] MPI startup(): 32 750707 gmz12.benchmarkcenter.megware.com 32
[0] MPI startup(): 33 750808 gmz12.benchmarkcenter.megware.com 33
[0] MPI startup(): 34 750774 gmz12.benchmarkcenter.megware.com 34
[0] MPI startup(): 35 750727 gmz12.benchmarkcenter.megware.com 35
[0] MPI startup(): 36 750709 gmz12.benchmarkcenter.megware.com 36
[0] MPI startup(): 37 750772 gmz12.benchmarkcenter.megware.com 37
[0] MPI startup(): 38 750687 gmz12.benchmarkcenter.megware.com 38
[0] MPI startup(): 39 750725 gmz12.benchmarkcenter.megware.com 39
[0] MPI startup(): 40 750768 gmz12.benchmarkcenter.megware.com 40
[0] MPI startup(): 41 750782 gmz12.benchmarkcenter.megware.com 41
[0] MPI startup(): 42 750837 gmz12.benchmarkcenter.megware.com 42
[0] MPI startup(): 43 750780 gmz12.benchmarkcenter.megware.com 43
[0] MPI startup(): 44 750779 gmz12.benchmarkcenter.megware.com 44
[0] MPI startup(): 45 750781 gmz12.benchmarkcenter.megware.com 45
[0] MPI startup(): 46 750686 gmz12.benchmarkcenter.megware.com 46
[0] MPI startup(): 47 750733 gmz12.benchmarkcenter.megware.com 47
[0] MPI startup(): 48 750675 gmz12.benchmarkcenter.megware.com 48
[0] MPI startup(): 49 750765 gmz12.benchmarkcenter.megware.com 49
[0] MPI startup(): 50 750676 gmz12.benchmarkcenter.megware.com 50
[0] MPI startup(): 51 750801 gmz12.benchmarkcenter.megware.com 51
[0] MPI startup(): 52 750684 gmz12.benchmarkcenter.megware.com 52
[0] MPI startup(): 53 750806 gmz12.benchmarkcenter.megware.com 53
[0] MPI startup(): 54 750840 gmz12.benchmarkcenter.megware.com 54
[0] MPI startup(): 55 750737 gmz12.benchmarkcenter.megware.com 55
[0] MPI startup(): 56 750674 gmz12.benchmarkcenter.megware.com 56
[0] MPI startup(): 57 750821 gmz12.benchmarkcenter.megware.com 57
[0] MPI startup(): 58 750722 gmz12.benchmarkcenter.megware.com 58
[0] MPI startup(): 59 750754 gmz12.benchmarkcenter.megware.com 59
[0] MPI startup(): 60 750719 gmz12.benchmarkcenter.megware.com 60
[0] MPI startup(): 61 750681 gmz12.benchmarkcenter.megware.com 61
[0] MPI startup(): 62 750689 gmz12.benchmarkcenter.megware.com 62
[0] MPI startup(): 63 750703 gmz12.benchmarkcenter.megware.com 63
[0] MPI startup(): 64 750671 gmz12.benchmarkcenter.megware.com 64
[0] MPI startup(): 65 750690 gmz12.benchmarkcenter.megware.com 65
[0] MPI startup(): 66 750728 gmz12.benchmarkcenter.megware.com 66
[0] MPI startup(): 67 750784 gmz12.benchmarkcenter.megware.com 67
[0] MPI startup(): 68 750694 gmz12.benchmarkcenter.megware.com 68
[0] MPI startup(): 69 750673 gmz12.benchmarkcenter.megware.com 69
[0] MPI startup(): 70 750685 gmz12.benchmarkcenter.megware.com 70
[0] MPI startup(): 71 750672 gmz12.benchmarkcenter.megware.com 71
[0] MPI startup(): 72 750732 gmz12.benchmarkcenter.megware.com 72
[0] MPI startup(): 73 750736 gmz12.benchmarkcenter.megware.com 73
[0] MPI startup(): 74 750699 gmz12.benchmarkcenter.megware.com 74
[0] MPI startup(): 75 750678 gmz12.benchmarkcenter.megware.com 75
[0] MPI startup(): 76 750701 gmz12.benchmarkcenter.megware.com 76
[0] MPI startup(): 77 750698 gmz12.benchmarkcenter.megware.com 77
[0] MPI startup(): 78 750688 gmz12.benchmarkcenter.megware.com 78
[0] MPI startup(): 79 750692 gmz12.benchmarkcenter.megware.com 79
[0] MPI startup(): 80 750704 gmz12.benchmarkcenter.megware.com 80
[0] MPI startup(): 81 750836 gmz12.benchmarkcenter.megware.com 81
[0] MPI startup(): 82 750838 gmz12.benchmarkcenter.megware.com 82
[0] MPI startup(): 83 750809 gmz12.benchmarkcenter.megware.com 83
[0] MPI startup(): 84 750815 gmz12.benchmarkcenter.megware.com 84
[0] MPI startup(): 85 750773 gmz12.benchmarkcenter.megware.com 85
[0] MPI startup(): 86 750778 gmz12.benchmarkcenter.megware.com 86
[0] MPI startup(): 87 750769 gmz12.benchmarkcenter.megware.com 87
[0] MPI startup(): 88 750697 gmz12.benchmarkcenter.megware.com 88
[0] MPI startup(): 89 750805 gmz12.benchmarkcenter.megware.com 89
[0] MPI startup(): 90 750845 gmz12.benchmarkcenter.megware.com 90
[0] MPI startup(): 91 750804 gmz12.benchmarkcenter.megware.com 91
[0] MPI startup(): 92 750730 gmz12.benchmarkcenter.megware.com 92
[0] MPI startup(): 93 750843 gmz12.benchmarkcenter.megware.com 93
[0] MPI startup(): 94 750766 gmz12.benchmarkcenter.megware.com 94
[0] MPI startup(): 95 750747 gmz12.benchmarkcenter.megware.com 95
[0] MPI startup(): 96 750706 gmz12.benchmarkcenter.megware.com 96
[0] MPI startup(): 97 750776 gmz12.benchmarkcenter.megware.com 97
[0] MPI startup(): 98 750731 gmz12.benchmarkcenter.megware.com 98
[0] MPI startup(): 99 750846 gmz12.benchmarkcenter.megware.com 99
[0] MPI startup(): 100 750818 gmz12.benchmarkcenter.megware.com 100
[0] MPI startup(): 101 750788 gmz12.benchmarkcenter.megware.com 101
[0] MPI startup(): 102 750847 gmz12.benchmarkcenter.megware.com 102
[0] MPI startup(): 103 750738 gmz12.benchmarkcenter.megware.com 103
[0] MPI startup(): 104 750752 gmz12.benchmarkcenter.megware.com 104
[0] MPI startup(): 105 750743 gmz12.benchmarkcenter.megware.com 105
[0] MPI startup(): 106 750842 gmz12.benchmarkcenter.megware.com 106
[0] MPI startup(): 107 750696 gmz12.benchmarkcenter.megware.com 107
[0] MPI startup(): 108 750735 gmz12.benchmarkcenter.megware.com 108
[0] MPI startup(): 109 750812 gmz12.benchmarkcenter.megware.com 109
[0] MPI startup(): 110 750744 gmz12.benchmarkcenter.megware.com 110
[0] MPI startup(): 111 750786 gmz12.benchmarkcenter.megware.com 111
[0] MPI startup(): 112 750753 gmz12.benchmarkcenter.megware.com 112
[0] MPI startup(): 113 750712 gmz12.benchmarkcenter.megware.com 113
[0] MPI startup(): 114 750749 gmz12.benchmarkcenter.megware.com 114
[0] MPI startup(): 115 750775 gmz12.benchmarkcenter.megware.com 115
[0] MPI startup(): 116 750794 gmz12.benchmarkcenter.megware.com 116
[0] MPI startup(): 117 750750 gmz12.benchmarkcenter.megware.com 117
[0] MPI startup(): 118 750823 gmz12.benchmarkcenter.megware.com 118
[0] MPI startup(): 119 750816 gmz12.benchmarkcenter.megware.com 119
[0] MPI startup(): 120 750702 gmz12.benchmarkcenter.megware.com 120
[0] MPI startup(): 121 750811 gmz12.benchmarkcenter.megware.com 121
[0] MPI startup(): 122 750708 gmz12.benchmarkcenter.megware.com 122
[0] MPI startup(): 123 750761 gmz12.benchmarkcenter.megware.com 123
[0] MPI startup(): 124 750777 gmz12.benchmarkcenter.megware.com 124
[0] MPI startup(): 125 750785 gmz12.benchmarkcenter.megware.com 125
[0] MPI startup(): 126 750783 gmz12.benchmarkcenter.megware.com 126
[0] MPI startup(): 127 750739 gmz12.benchmarkcenter.megware.com 127
[0] MPI startup(): 128 750759 gmz12.benchmarkcenter.megware.com 128
[0] MPI startup(): 129 750817 gmz12.benchmarkcenter.megware.com 129
[0] MPI startup(): 130 750700 gmz12.benchmarkcenter.megware.com 130
[0] MPI startup(): 131 750705 gmz12.benchmarkcenter.megware.com 131
[0] MPI startup(): 132 750790 gmz12.benchmarkcenter.megware.com 132
[0] MPI startup(): 133 750819 gmz12.benchmarkcenter.megware.com 133
[0] MPI startup(): 134 750814 gmz12.benchmarkcenter.megware.com 134
[0] MPI startup(): 135 750734 gmz12.benchmarkcenter.megware.com 135
[0] MPI startup(): 136 750810 gmz12.benchmarkcenter.megware.com 136
[0] MPI startup(): 137 750848 gmz12.benchmarkcenter.megware.com 137
[0] MPI startup(): 138 750691 gmz12.benchmarkcenter.megware.com 138
[0] MPI startup(): 139 750799 gmz12.benchmarkcenter.megware.com 139
[0] MPI startup(): 140 750852 gmz12.benchmarkcenter.megware.com 140
[0] MPI startup(): 141 750850 gmz12.benchmarkcenter.megware.com 141
[0] MPI startup(): 142 750670 gmz12.benchmarkcenter.megware.com 142
[0] MPI startup(): 143 750746 gmz12.benchmarkcenter.megware.com 143
[0] MPI startup(): 144 750807 gmz12.benchmarkcenter.megware.com 144
[0] MPI startup(): 145 750854 gmz12.benchmarkcenter.megware.com 145
[0] MPI startup(): 146 750716 gmz12.benchmarkcenter.megware.com 146
[0] MPI startup(): 147 750826 gmz12.benchmarkcenter.megware.com 147
[0] MPI startup(): 148 750723 gmz12.benchmarkcenter.megware.com 148
[0] MPI startup(): 149 750677 gmz12.benchmarkcenter.megware.com 149
[0] MPI startup(): 150 750756 gmz12.benchmarkcenter.megware.com 150
[0] MPI startup(): 151 750764 gmz12.benchmarkcenter.megware.com 151
[0] MPI startup(): 152 750851 gmz12.benchmarkcenter.megware.com 152
[0] MPI startup(): 153 750858 gmz12.benchmarkcenter.megware.com 153
[0] MPI startup(): 154 750820 gmz12.benchmarkcenter.megware.com 154
[0] MPI startup(): 155 750798 gmz12.benchmarkcenter.megware.com 155
[0] MPI startup(): 156 750717 gmz12.benchmarkcenter.megware.com 156
[0] MPI startup(): 157 750748 gmz12.benchmarkcenter.megware.com 157
[0] MPI startup(): 158 750720 gmz12.benchmarkcenter.megware.com 158
[0] MPI startup(): 159 750718 gmz12.benchmarkcenter.megware.com 159
[0] MPI startup(): 160 750721 gmz12.benchmarkcenter.megware.com 160
[0] MPI startup(): 161 750755 gmz12.benchmarkcenter.megware.com 161
[0] MPI startup(): 162 750822 gmz12.benchmarkcenter.megware.com 162
[0] MPI startup(): 163 750796 gmz12.benchmarkcenter.megware.com 163
[0] MPI startup(): 164 750859 gmz12.benchmarkcenter.megware.com 164
[0] MPI startup(): 165 750762 gmz12.benchmarkcenter.megware.com 165
[0] MPI startup(): 166 750745 gmz12.benchmarkcenter.megware.com 166
[0] MPI startup(): 167 750849 gmz12.benchmarkcenter.megware.com 167
[0] MPI startup(): 168 750853 gmz12.benchmarkcenter.megware.com 168
[0] MPI startup(): 169 750793 gmz12.benchmarkcenter.megware.com 169
[0] MPI startup(): 170 750751 gmz12.benchmarkcenter.megware.com 170
[0] MPI startup(): 171 750711 gmz12.benchmarkcenter.megware.com 171
[0] MPI startup(): 172 750856 gmz12.benchmarkcenter.megware.com 172
[0] MPI startup(): 173 750829 gmz12.benchmarkcenter.megware.com 173
[0] MPI startup(): 174 750710 gmz12.benchmarkcenter.megware.com 174
[0] MPI startup(): 175 750792 gmz12.benchmarkcenter.megware.com 175
[0] MPI startup(): 176 750830 gmz12.benchmarkcenter.megware.com 176
[0] MPI startup(): 177 750797 gmz12.benchmarkcenter.megware.com 177
[0] MPI startup(): 178 750857 gmz12.benchmarkcenter.megware.com 178
[0] MPI startup(): 179 750714 gmz12.benchmarkcenter.megware.com 179
[0] MPI startup(): 180 750758 gmz12.benchmarkcenter.megware.com 180
[0] MPI startup(): 181 750715 gmz12.benchmarkcenter.megware.com 181
[0] MPI startup(): 182 750789 gmz12.benchmarkcenter.megware.com 182
[0] MPI startup(): 183 750824 gmz12.benchmarkcenter.megware.com 183
[0] MPI startup(): 184 750680 gmz12.benchmarkcenter.megware.com 184
[0] MPI startup(): 185 750795 gmz12.benchmarkcenter.megware.com 185
[0] MPI startup(): 186 750825 gmz12.benchmarkcenter.megware.com 186
[0] MPI startup(): 187 750828 gmz12.benchmarkcenter.megware.com 187
[0] MPI startup(): 188 750713 gmz12.benchmarkcenter.megware.com 188
[0] MPI startup(): 189 750791 gmz12.benchmarkcenter.megware.com 189
[0] MPI startup(): 190 750855 gmz12.benchmarkcenter.megware.com 190
[0] MPI startup(): 191 750827 gmz12.benchmarkcenter.megware.com 191
OMP: pid 750673 tid 750673 thread 0 bound to OS proc set {69}
OMP: pid 750671 tid 750671 thread 0 bound to OS proc set {64}
OMP: pid 750748 tid 750748 thread 0 bound to OS proc set {157}
OMP: pid 750850 tid 750850 thread 0 bound to OS proc set {141}
OMP: pid 750728 tid 750728 thread 0 bound to OS proc set {66}
OMP: pid 750786 tid 750786 thread 0 bound to OS proc set {111}
OMP: pid 750736 tid 750736 thread 0 bound to OS proc set {73}
OMP: pid 750749 tid 750749 thread 0 bound to OS proc set {114}
OMP: pid 750762 tid 750762 thread 0 bound to OS proc set {165}
OMP: pid 750717 tid 750717 thread 0 bound to OS proc set {156}
OMP: pid 750672 tid 750672 thread 0 bound to OS proc set {71}
OMP: pid 750833 tid 750833 thread 0 bound to OS proc set {4}
OMP: pid 750844 tid 750844 thread 0 bound to OS proc set {25}
OMP: pid 750834 tid 750834 thread 0 bound to OS proc set {0}
OMP: pid 750760 tid 750760 thread 0 bound to OS proc set {21}
LAMMPS (22 Jul 2025)
OMP: pid 750842 tid 750842 thread 0 bound to OS proc set {106}
OMP: pid 750727 tid 750727 thread 0 bound to OS proc set {35}
OMP: pid 750827 tid 750827 thread 0 bound to OS proc set {191}
OMP: pid 750793 tid 750793 thread 0 bound to OS proc set {169}
OMP: pid 750677 tid 750677 thread 0 bound to OS proc set {149}
OMP: pid 750859 tid 750859 thread 0 bound to OS proc set {164}
OMP: pid 750712 tid 750712 thread 0 bound to OS proc set {113}
OMP: pid 750681 tid 750681 thread 0 bound to OS proc set {61}
OMP: pid 750743 tid 750743 thread 0 bound to OS proc set {105}
OMP: pid 750699 tid 750699 thread 0 bound to OS proc set {74}
OMP: pid 750825 tid 750825 thread 0 bound to OS proc set {186}
OMP: pid 750751 tid 750751 thread 0 bound to OS proc set {170}
OMP: pid 750676 tid 750676 thread 0 bound to OS proc set {50}
OMP: pid 750675 tid 750675 thread 0 bound to OS proc set {48}
OMP: pid 750747 tid 750747 thread 0 bound to OS proc set {95}
OMP: pid 750826 tid 750826 thread 0 bound to OS proc set {147}
OMP: pid 750694 tid 750694 thread 0 bound to OS proc set {68}
OMP: pid 750849 tid 750849 thread 0 bound to OS proc set {167}
OMP: pid 750771 tid 750771 thread 0 bound to OS proc set {30}
OMP: pid 750795 tid 750795 thread 0 bound to OS proc set {185}
OMP: pid 750852 tid 750852 thread 0 bound to OS proc set {140}
OMP: pid 750790 tid 750790 thread 0 bound to OS proc set {132}
OMP: pid 750772 tid 750772 thread 0 bound to OS proc set {37}
OMP: pid 750843 tid 750843 thread 0 bound to OS proc set {93}
OMP: pid 750776 tid 750776 thread 0 bound to OS proc set {97}
OMP: pid 750805 tid 750805 thread 0 bound to OS proc set {89}
OMP: pid 750740 tid 750740 thread 0 bound to OS proc set {5}
OMP: pid 750723 tid 750723 thread 0 bound to OS proc set {148}
OMP: pid 750753 tid 750753 thread 0 bound to OS proc set {112}
OMP: pid 750741 tid 750741 thread 0 bound to OS proc set {10}
OMP: pid 750840 tid 750840 thread 0 bound to OS proc set {54}
OMP: pid 750764 tid 750764 thread 0 bound to OS proc set {151}
OMP: pid 750682 tid 750682 thread 0 bound to OS proc set {14}
OMP: pid 750857 tid 750857 thread 0 bound to OS proc set {178}
OMP: pid 750732 tid 750732 thread 0 bound to OS proc set {72}
OMP: pid 750835 tid 750835 thread 0 bound to OS proc set {29}
OMP: pid 750746 tid 750746 thread 0 bound to OS proc set {143}
OMP: pid 750774 tid 750774 thread 0 bound to OS proc set {34}
OMP: pid 750729 tid 750729 thread 0 bound to OS proc set {24}
OMP: pid 750829 tid 750829 thread 0 bound to OS proc set {173}
OMP: pid 750701 tid 750701 thread 0 bound to OS proc set {76}
OMP: pid 750754 tid 750754 thread 0 bound to OS proc set {59}
OMP: pid 750730 tid 750730 thread 0 bound to OS proc set {92}
OMP: pid 750817 tid 750817 thread 0 bound to OS proc set {129}
OMP: pid 750708 tid 750708 thread 0 bound to OS proc set {122}
OMP: pid 750761 tid 750761 thread 0 bound to OS proc set {123}
OMP: pid 750809 tid 750809 thread 0 bound to OS proc set {83}
OMP: pid 750735 tid 750735 thread 0 bound to OS proc set {108}
OMP: pid 750845 tid 750845 thread 0 bound to OS proc set {90}
OMP: pid 750674 tid 750674 thread 0 bound to OS proc set {56}
OMP: pid 750788 tid 750788 thread 0 bound to OS proc set {101}
OMP: pid 750778 tid 750778 thread 0 bound to OS proc set {86}
OMP: pid 750814 tid 750814 thread 0 bound to OS proc set {134}
OMP: pid 750781 tid 750781 thread 0 bound to OS proc set {45}
OMP: pid 750706 tid 750706 thread 0 bound to OS proc set {96}
OMP: pid 750824 tid 750824 thread 0 bound to OS proc set {183}
OMP: pid 750692 tid 750692 thread 0 bound to OS proc set {79}
OMP: pid 750721 tid 750721 thread 0 bound to OS proc set {160}
OMP: pid 750855 tid 750855 thread 0 bound to OS proc set {190}
OMP: pid 750770 tid 750770 thread 0 bound to OS proc set {7}
OMP: pid 750846 tid 750846 thread 0 bound to OS proc set {99}
OMP: pid 750724 tid 750724 thread 0 bound to OS proc set {3}
OMP: pid 750668 tid 750668 thread 0 bound to OS proc set {2}
OMP: pid 750691 tid 750691 thread 0 bound to OS proc set {138}
OMP: pid 750734 tid 750734 thread 0 bound to OS proc set {135}
OMP: pid 750820 tid 750820 thread 0 bound to OS proc set {154}
OMP: pid 750680 tid 750680 thread 0 bound to OS proc set {184}
OMP: pid 750705 tid 750705 thread 0 bound to OS proc set {131}
OMP: pid 750779 tid 750779 thread 0 bound to OS proc set {44}
OMP: pid 750696 tid 750696 thread 0 bound to OS proc set {107}
OMP: pid 750799 tid 750799 thread 0 bound to OS proc set {139}
OMP: pid 750816 tid 750816 thread 0 bound to OS proc set {119}
OMP: pid 750766 tid 750766 thread 0 bound to OS proc set {94}
OMP: pid 750837 tid 750837 thread 0 bound to OS proc set {42}
OMP: pid 750697 tid 750697 thread 0 bound to OS proc set {88}
OMP: pid 750839 tid 750839 thread 0 bound to OS proc set {23}
OMP: pid 750798 tid 750798 thread 0 bound to OS proc set {155}
OMP: pid 750813 tid 750813 thread 0 bound to OS proc set {31}
OMP: pid 750678 tid 750678 thread 0 bound to OS proc set {75}
OMP: pid 750686 tid 750686 thread 0 bound to OS proc set {46}
OMP: pid 750797 tid 750797 thread 0 bound to OS proc set {177}
OMP: pid 750758 tid 750758 thread 0 bound to OS proc set {180}
OMP: pid 750695 tid 750695 thread 0 bound to OS proc set {28}
OMP: pid 750750 tid 750750 thread 0 bound to OS proc set {117}
OMP: pid 750690 tid 750690 thread 0 bound to OS proc set {65}
OMP: pid 750822 tid 750822 thread 0 bound to OS proc set {162}
OMP: pid 750812 tid 750812 thread 0 bound to OS proc set {109}
OMP: pid 750714 tid 750714 thread 0 bound to OS proc set {179}
OMP: pid 750685 tid 750685 thread 0 bound to OS proc set {70}
OMP: pid 750854 tid 750854 thread 0 bound to OS proc set {145}
OMP: pid 750836 tid 750836 thread 0 bound to OS proc set {81}
OMP: pid 750725 tid 750725 thread 0 bound to OS proc set {39}
OMP: pid 750718 tid 750718 thread 0 bound to OS proc set {159}
OMP: pid 750722 tid 750722 thread 0 bound to OS proc set {58}
OMP: pid 750689 tid 750689 thread 0 bound to OS proc set {62}
OMP: pid 750821 tid 750821 thread 0 bound to OS proc set {57}
OMP: pid 750782 tid 750782 thread 0 bound to OS proc set {41}
OMP: pid 750713 tid 750713 thread 0 bound to OS proc set {188}
OMP: pid 750823 tid 750823 thread 0 bound to OS proc set {118}
OMP: pid 750711 tid 750711 thread 0 bound to OS proc set {171}
OMP: pid 750838 tid 750838 thread 0 bound to OS proc set {82}
OMP: pid 750794 tid 750794 thread 0 bound to OS proc set {116}
OMP: pid 750810 tid 750810 thread 0 bound to OS proc set {136}
OMP: pid 750752 tid 750752 thread 0 bound to OS proc set {104}
OMP: pid 750707 tid 750707 thread 0 bound to OS proc set {32}
OMP: pid 750787 tid 750787 thread 0 bound to OS proc set {27}
OMP: pid 750768 tid 750768 thread 0 bound to OS proc set {40}
OMP: pid 750755 tid 750755 thread 0 bound to OS proc set {161}
OMP: pid 750831 tid 750831 thread 0 bound to OS proc set {12}
OMP: pid 750715 tid 750715 thread 0 bound to OS proc set {181}
OMP: pid 750777 tid 750777 thread 0 bound to OS proc set {124}
OMP: pid 750704 tid 750704 thread 0 bound to OS proc set {80}
OMP: pid 750830 tid 750830 thread 0 bound to OS proc set {176}
OMP: pid 750679 tid 750679 thread 0 bound to OS proc set {9}
OMP: pid 750687 tid 750687 thread 0 bound to OS proc set {38}
OMP: pid 750710 tid 750710 thread 0 bound to OS proc set {174}
OMP: pid 750742 tid 750742 thread 0 bound to OS proc set {13}
OMP: pid 750801 tid 750801 thread 0 bound to OS proc set {51}
OMP: pid 750726 tid 750726 thread 0 bound to OS proc set {20}
OMP: pid 750800 tid 750800 thread 0 bound to OS proc set {19}
OMP: pid 750769 tid 750769 thread 0 bound to OS proc set {87}
OMP: pid 750759 tid 750759 thread 0 bound to OS proc set {128}
OMP: pid 750757 tid 750757 thread 0 bound to OS proc set {22}
OMP: pid 750683 tid 750683 thread 0 bound to OS proc set {18}
OMP: pid 750791 tid 750791 thread 0 bound to OS proc set {189}
OMP: pid 750818 tid 750818 thread 0 bound to OS proc set {100}
OMP: pid 750832 tid 750832 thread 0 bound to OS proc set {16}
OMP: pid 750684 tid 750684 thread 0 bound to OS proc set {52}
OMP: pid 750733 tid 750733 thread 0 bound to OS proc set {47}
OMP: pid 750745 tid 750745 thread 0 bound to OS proc set {166}
OMP: pid 750851 tid 750851 thread 0 bound to OS proc set {152}
OMP: pid 750670 tid 750670 thread 0 bound to OS proc set {142}
OMP: pid 750856 tid 750856 thread 0 bound to OS proc set {172}
OMP: pid 750784 tid 750784 thread 0 bound to OS proc set {67}
OMP: pid 750789 tid 750789 thread 0 bound to OS proc set {182}
OMP: pid 750853 tid 750853 thread 0 bound to OS proc set {168}
OMP: pid 750815 tid 750815 thread 0 bound to OS proc set {84}
OMP: pid 750731 tid 750731 thread 0 bound to OS proc set {98}
OMP: pid 750819 tid 750819 thread 0 bound to OS proc set {133}
OMP: pid 750703 tid 750703 thread 0 bound to OS proc set {63}
OMP: pid 750744 tid 750744 thread 0 bound to OS proc set {110}
OMP: pid 750804 tid 750804 thread 0 bound to OS proc set {91}
OMP: pid 750767 tid 750767 thread 0 bound to OS proc set {6}
OMP: pid 750802 tid 750802 thread 0 bound to OS proc set {11}
OMP: pid 750828 tid 750828 thread 0 bound to OS proc set {187}
OMP: pid 750719 tid 750719 thread 0 bound to OS proc set {60}
OMP: pid 750847 tid 750847 thread 0 bound to OS proc set {102}
OMP: pid 750763 tid 750763 thread 0 bound to OS proc set {8}
OMP: pid 750803 tid 750803 thread 0 bound to OS proc set {15}
OMP: pid 750669 tid 750669 thread 0 bound to OS proc set {1}
OMP: pid 750775 tid 750775 thread 0 bound to OS proc set {115}
OMP: pid 750841 tid 750841 thread 0 bound to OS proc set {26}
OMP: pid 750737 tid 750737 thread 0 bound to OS proc set {55}
OMP: pid 750807 tid 750807 thread 0 bound to OS proc set {144}
OMP: pid 750688 tid 750688 thread 0 bound to OS proc set {78}
OMP: pid 750738 tid 750738 thread 0 bound to OS proc set {103}
OMP: pid 750792 tid 750792 thread 0 bound to OS proc set {175}
OMP: pid 750806 tid 750806 thread 0 bound to OS proc set {53}
OMP: pid 750773 tid 750773 thread 0 bound to OS proc set {85}
OMP: pid 750709 tid 750709 thread 0 bound to OS proc set {36}
OMP: pid 750716 tid 750716 thread 0 bound to OS proc set {146}
OMP: pid 750702 tid 750702 thread 0 bound to OS proc set {120}
OMP: pid 750808 tid 750808 thread 0 bound to OS proc set {33}
OMP: pid 750756 tid 750756 thread 0 bound to OS proc set {150}
OMP: pid 750693 tid 750693 thread 0 bound to OS proc set {17}
OMP: pid 750796 tid 750796 thread 0 bound to OS proc set {163}
OMP: pid 750698 tid 750698 thread 0 bound to OS proc set {77}
OMP: pid 750783 tid 750783 thread 0 bound to OS proc set {126}
OMP: pid 750858 tid 750858 thread 0 bound to OS proc set {153}
OMP: pid 750765 tid 750765 thread 0 bound to OS proc set {49}
OMP: pid 750700 tid 750700 thread 0 bound to OS proc set {130}
OMP: pid 750785 tid 750785 thread 0 bound to OS proc set {125}
OMP: pid 750739 tid 750739 thread 0 bound to OS proc set {127}
OMP: pid 750848 tid 750848 thread 0 bound to OS proc set {137}
OMP: pid 750811 tid 750811 thread 0 bound to OS proc set {121}
OMP: pid 750720 tid 750720 thread 0 bound to OS proc set {158}
OMP: pid 750780 tid 750780 thread 0 bound to OS proc set {43}
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 6 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 = 0.015 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) = 68.4 | 69.61 | 70.89 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 1.45052 on 192 procs for 10 steps with 32768000 atoms
Performance: 2.978 ns/day, 8.058 hours/ns, 6.894 timesteps/s, 225.906 Matom-step/s
98.9% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 1.0736 | 1.0932 | 1.1224 | 0.8 | 75.37
Neigh | 0.17897 | 0.18433 | 0.18979 | 0.6 | 12.71
Comm | 0.045723 | 0.066564 | 0.088903 | 3.1 | 4.59
Output | 0.0014731 | 0.001761 | 0.0028757 | 0.5 | 0.12
Modify | 0.053664 | 0.075482 | 0.085386 | 2.1 | 5.20
Other | | 0.02914 | | | 2.01
Nlocal: 170667 ave 171308 max 169512 min
Histogram: 64 0 0 0 0 0 0 0 13 115
Nghost: 55997.1 ave 56418 max 55762 min
Histogram: 27 61 32 8 0 4 15 27 13 5
Neighs: 6.42419e+06 ave 6.47799e+06 max 6.37962e+06 min
Histogram: 64 0 1 56 7 0 0 0 2 62
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) = 68.74 | 69.77 | 70.91 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 98.3975 on 192 procs for 500 steps with 32768000 atoms
Performance: 2.195 ns/day, 10.933 hours/ns, 5.081 timesteps/s, 166.508 Matom-step/s
98.9% CPU use with 192 MPI tasks x 1 OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 72.063 | 73.238 | 74.794 | 7.1 | 74.43
Neigh | 16.213 | 16.55 | 16.917 | 3.4 | 16.82
Comm | 2.5415 | 4.3272 | 5.591 | 29.6 | 4.40
Output | 0.016079 | 0.0186 | 0.026431 | 1.4 | 0.02
Modify | 2.3404 | 3.0446 | 3.7042 | 17.9 | 3.09
Other | | 1.219 | | | 1.24
Nlocal: 170667 ave 171683 max 169136 min
Histogram: 6 31 24 3 0 0 10 43 59 16
Nghost: 55896.7 ave 56658 max 55273 min
Histogram: 5 9 23 43 36 39 24 7 4 2
Neighs: 6.44217e+06 ave 6.50586e+06 max 6.38063e+06 min
Histogram: 8 36 22 19 34 9 0 10 26 28
Total # of neighbors = 1.2368965e+09
Ave neighs/atom = 37.747084
Neighbor list builds = 85
Dangerous builds = 15
Total wall time: 0:01:41
[MAQAO] Info: 62/192 lprof instances finished
[MAQAO] Info: 71/192 lprof instances finished
[MAQAO] Info: 191/192 lprof instances finished
Your experiment path is /beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/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_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/beegfs/hackathon/users/eoseret/qaas_runs_ZEN5/175-813-3609/intel/LAMMPS/run/oneview_runs/defaults/orig/oneview_results_1758135017/tools/lprof_npsu_run_0 #
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