; LLVM IR from VeloxChem/VeloxChem :: src/dft_func/MolecularGrid.ll (ZN14CMolecularGrid34reDistributeCountsAndDisplacementsEii)

; Unoptimized IR (clang -disable-llvm-passes):
target datalayout = "e-m:e-p270:32:32-p271:32:32-p272:64:64-i64:64-i128:128-f80:128-n8:16:32:64-S128"
target triple = "x86_64-unknown-linux-gnu"

%"class.std::__cxx11::basic_string" = type { %"struct.std::__cxx11::basic_string<char>::_Alloc_hider", i64, %union.anon }
%"struct.std::__cxx11::basic_string<char>::_Alloc_hider" = type { ptr }
%union.anon = type { i64, [8 x i8] }
%"class.std::allocator.5" = type { i8 }
%"class.std::vector.0" = type { %"struct.std::_Vector_base.1" }
%"struct.std::_Vector_base.1" = type { %"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl" }
%"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl" = type { %"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl_data" }
%"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl_data" = type { ptr, ptr, ptr }
%class.CMolecularGrid = type <{ i8, [7 x i8], %class.CDenseMatrix, i8, [7 x i8], %"class.std::vector.0", %"class.std::vector.0", %"class.std::vector.0", %"class.std::vector.0", i32, [4 x i8] }>
%class.CDenseMatrix = type { i32, i32, %"class.std::vector" }
%"class.std::vector" = type { %"struct.std::_Vector_base" }
%"struct.std::_Vector_base" = type { %"struct.std::_Vector_base<double, std::allocator<double>>::_Vector_impl" }
%"struct.std::_Vector_base<double, std::allocator<double>>::_Vector_impl" = type { %"struct.std::_Vector_base<double, std::allocator<double>>::_Vector_impl_data" }
%"struct.std::_Vector_base<double, std::allocator<double>>::_Vector_impl_data" = type { ptr, ptr, ptr }

@.str.3 = external hidden unnamed_addr constant [100 x i8], align 1

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt6vectorIiSaIiEEC2Ev(ptr noundef nonnull align 8 dereferenceable(24)) unnamed_addr #0 align 2

declare i32 @__gxx_personality_v0(...)

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24)) unnamed_addr #0 align 2

; Function Attrs: mustprogress uwtable
declare dso_local noundef nonnull align 8 dereferenceable(24) ptr @_ZNSt6vectorIiSaIiEEaSERKS1_(ptr noundef nonnull align 8 dereferenceable(24), ptr noundef nonnull align 8 dereferenceable(24)) #1 align 2

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #0 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32), ptr noundef, ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #1 align 2

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #2

declare void @_ZN6errors17assertMsgCriticalEbRKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(i1 noundef zeroext, ptr noundef nonnull align 8 dereferenceable(32)) #3

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #0 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local noundef i64 @_ZNKSt6vectorIiSaIiEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(24)) #0 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local noundef nonnull align 4 dereferenceable(4) ptr @_ZNSt6vectorIiSaIiEEixEm(ptr noundef nonnull align 8 dereferenceable(24), i64 noundef) #0 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt6vectorIiSaIiEE9push_backERKi(ptr noundef nonnull align 8 dereferenceable(24), ptr noundef nonnull align 4 dereferenceable(4)) #1 align 2

; Function Attrs: mustprogress uwtable
define dso_local void @_ZN14CMolecularGrid34reDistributeCountsAndDisplacementsEii(ptr noundef nonnull align 8 dereferenceable(148) %0, i32 noundef %1, i32 noundef %2) #1 align 2 personality ptr @__gxx_personality_v0 {
  %4 = alloca ptr, align 8
  %5 = alloca i32, align 4
  %6 = alloca i32, align 4
  %7 = alloca %"class.std::__cxx11::basic_string", align 8
  %8 = alloca %"class.std::allocator.5", align 1
  %9 = alloca ptr, align 8
  %10 = alloca i32, align 4
  %11 = alloca i32, align 4
  %12 = alloca %"class.std::vector.0", align 8
  %13 = alloca %"class.std::vector.0", align 8
  %14 = alloca i32, align 4
  store ptr %0, ptr %4, align 8, !tbaa !5
  store i32 %1, ptr %5, align 4, !tbaa !9
  store i32 %2, ptr %6, align 4, !tbaa !9
  %15 = load ptr, ptr %4, align 8
  call void @llvm.lifetime.start.p0(i64 32, ptr %7) #4
  call void @llvm.lifetime.start.p0(i64 1, ptr %8) #4
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %8) #4
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %7, ptr noundef @.str.3, ptr noundef nonnull align 1 dereferenceable(1) %8)
          to label %16 unwind label %38

16:                                               ; preds = %3
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %8) #4
  call void @llvm.lifetime.end.p0(i64 1, ptr %8) #4
  %17 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 3
  %18 = load i8, ptr %17, align 8, !tbaa !11, !range !23, !noundef !24
  %19 = trunc i8 %18 to i1
  br i1 %19, label %20, label %24

20:                                               ; preds = %16
  %21 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 0
  %22 = load i8, ptr %21, align 8, !tbaa !25, !range !23, !noundef !24
  %23 = trunc i8 %22 to i1
  br label %24

24:                                               ; preds = %20, %16
  %25 = phi i1 [ false, %16 ], [ %23, %20 ]
  invoke void @_ZN6errors17assertMsgCriticalEbRKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(i1 noundef zeroext %25, ptr noundef nonnull align 8 dereferenceable(32) %7)
          to label %26 unwind label %42

26:                                               ; preds = %24
  call void @llvm.lifetime.start.p0(i64 4, ptr %11) #4
  %27 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 6
  %28 = call noundef i64 @_ZNKSt6vectorIiSaIiEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(24) %27) #4
  %29 = trunc i64 %28 to i32
  store i32 %29, ptr %11, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 24, ptr %12) #4
  call void @_ZNSt6vectorIiSaIiEEC2Ev(ptr noundef nonnull align 8 dereferenceable(24) %12) #4
  call void @llvm.lifetime.start.p0(i64 24, ptr %13) #4
  call void @_ZNSt6vectorIiSaIiEEC2Ev(ptr noundef nonnull align 8 dereferenceable(24) %13) #4
  call void @llvm.lifetime.start.p0(i64 4, ptr %14) #4
  %30 = load i32, ptr %11, align 4, !tbaa !9
  %31 = sub nsw i32 %30, 1
  %32 = load i32, ptr %5, align 4, !tbaa !9
  %33 = sub nsw i32 %31, %32
  store i32 %33, ptr %14, align 4, !tbaa !9
  br label %34

34:                                               ; preds = %57, %26
  %35 = load i32, ptr %14, align 4, !tbaa !9
  %36 = icmp sge i32 %35, 0
  br i1 %36, label %46, label %37

37:                                               ; preds = %34
  call void @llvm.lifetime.end.p0(i64 4, ptr %14) #4
  br label %65

38:                                               ; preds = %3
  %39 = landingpad { ptr, i32 }
          cleanup
  %40 = extractvalue { ptr, i32 } %39, 0
  store ptr %40, ptr %9, align 8
  %41 = extractvalue { ptr, i32 } %39, 1
  store i32 %41, ptr %10, align 4
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %8) #4
  call void @llvm.lifetime.end.p0(i64 1, ptr %8) #4
  br label %78

42:                                               ; preds = %24
  %43 = landingpad { ptr, i32 }
          cleanup
  %44 = extractvalue { ptr, i32 } %43, 0
  store ptr %44, ptr %9, align 8
  %45 = extractvalue { ptr, i32 } %43, 1
  store i32 %45, ptr %10, align 4
  br label %77

46:                                               ; preds = %34
  %47 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 6
  %48 = load i32, ptr %14, align 4, !tbaa !9
  %49 = sext i32 %48 to i64
  %50 = call noundef nonnull align 4 dereferenceable(4) ptr @_ZNSt6vectorIiSaIiEEixEm(ptr noundef nonnull align 8 dereferenceable(24) %47, i64 noundef %49) #4
  invoke void @_ZNSt6vectorIiSaIiEE9push_backERKi(ptr noundef nonnull align 8 dereferenceable(24) %12, ptr noundef nonnull align 4 dereferenceable(4) %50)
          to label %51 unwind label %61

51:                                               ; preds = %46
  %52 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 8
  %53 = load i32, ptr %14, align 4, !tbaa !9
  %54 = sext i32 %53 to i64
  %55 = call noundef nonnull align 4 dereferenceable(4) ptr @_ZNSt6vectorIiSaIiEEixEm(ptr noundef nonnull align 8 dereferenceable(24) %52, i64 noundef %54) #4
  invoke void @_ZNSt6vectorIiSaIiEE9push_backERKi(ptr noundef nonnull align 8 dereferenceable(24) %13, ptr noundef nonnull align 4 dereferenceable(4) %55)
          to label %56 unwind label %61

56:                                               ; preds = %51
  br label %57

57:                                               ; preds = %56
  %58 = load i32, ptr %6, align 4, !tbaa !9
  %59 = load i32, ptr %14, align 4, !tbaa !9
  %60 = sub nsw i32 %59, %58
  store i32 %60, ptr %14, align 4, !tbaa !9
  br label %34, !llvm.loop !26

61:                                               ; preds = %51, %46
  %62 = landingpad { ptr, i32 }
          cleanup
  %63 = extractvalue { ptr, i32 } %62, 0
  store ptr %63, ptr %9, align 8
  %64 = extractvalue { ptr, i32 } %62, 1
  store i32 %64, ptr %10, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %14) #4
  br label %76

65:                                               ; preds = %37
  %66 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 5
  %67 = invoke noundef nonnull align 8 dereferenceable(24) ptr @_ZNSt6vectorIiSaIiEEaSERKS1_(ptr noundef nonnull align 8 dereferenceable(24) %66, ptr noundef nonnull align 8 dereferenceable(24) %12)
          to label %68 unwind label %72

68:                                               ; preds = %65
  %69 = getelementptr inbounds %class.CMolecularGrid, ptr %15, i32 0, i32 7
  %70 = invoke noundef nonnull align 8 dereferenceable(24) ptr @_ZNSt6vectorIiSaIiEEaSERKS1_(ptr noundef nonnull align 8 dereferenceable(24) %69, ptr noundef nonnull align 8 dereferenceable(24) %13)
          to label %71 unwind label %72

71:                                               ; preds = %68
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %13) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr %13) #4
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %12) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr %12) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %11) #4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %7) #4
  call void @llvm.lifetime.end.p0(i64 32, ptr %7) #4
  ret void

72:                                               ; preds = %68, %65
  %73 = landingpad { ptr, i32 }
          cleanup
  %74 = extractvalue { ptr, i32 } %73, 0
  store ptr %74, ptr %9, align 8
  %75 = extractvalue { ptr, i32 } %73, 1
  store i32 %75, ptr %10, align 4
  br label %76

76:                                               ; preds = %72, %61
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %13) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr %13) #4
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %12) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr %12) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %11) #4
  br label %77

77:                                               ; preds = %76, %42
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %7) #4
  br label %78

78:                                               ; preds = %77, %38
  call void @llvm.lifetime.end.p0(i64 32, ptr %7) #4
  br label %79

79:                                               ; preds = %78
  %80 = load ptr, ptr %9, align 8
  %81 = load i32, ptr %10, align 4
  %82 = insertvalue { ptr, i32 } poison, ptr %80, 0
  %83 = insertvalue { ptr, i32 } %82, i32 %81, 1
  resume { ptr, i32 } %83
}

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #0 align 2

attributes #0 = { mustprogress nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #1 = { mustprogress uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #2 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #3 = { "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #4 = { nounwind }

!llvm.module.flags = !{!0, !1, !2, !3}
!llvm.ident = !{!4}

!0 = !{i32 1, !"wchar_size", i32 4}
!1 = !{i32 8, !"PIC Level", i32 2}
!2 = !{i32 7, !"PIE Level", i32 2}
!3 = !{i32 7, !"uwtable", i32 2}
!4 = !{!"clang version 19.1.0 (git@github.com:llvm/llvm-project.git a4bf6cd7cfb1a1421ba92bca9d017b49936c55e4)"}
!5 = !{!6, !6, i64 0}
!6 = !{!"any pointer", !7, i64 0}
!7 = !{!"omnipotent char", !8, i64 0}
!8 = !{!"Simple C++ TBAA"}
!9 = !{!10, !10, i64 0}
!10 = !{!"int", !7, i64 0}
!11 = !{!12, !13, i64 40}
!12 = !{!"_ZTS14CMolecularGrid", !13, i64 0, !14, i64 8, !13, i64 40, !19, i64 48, !19, i64 72, !19, i64 96, !19, i64 120, !10, i64 144}
!13 = !{!"bool", !7, i64 0}
!14 = !{!"_ZTS12CDenseMatrix", !10, i64 0, !10, i64 4, !15, i64 8}
!15 = !{!"_ZTSSt6vectorIdSaIdEE", !16, i64 0}
!16 = !{!"_ZTSSt12_Vector_baseIdSaIdEE", !17, i64 0}
!17 = !{!"_ZTSNSt12_Vector_baseIdSaIdEE12_Vector_implE", !18, i64 0}
!18 = !{!"_ZTSNSt12_Vector_baseIdSaIdEE17_Vector_impl_dataE", !6, i64 0, !6, i64 8, !6, i64 16}
!19 = !{!"_ZTSSt6vectorIiSaIiEE", !20, i64 0}
!20 = !{!"_ZTSSt12_Vector_baseIiSaIiEE", !21, i64 0}
!21 = !{!"_ZTSNSt12_Vector_baseIiSaIiEE12_Vector_implE", !22, i64 0}
!22 = !{!"_ZTSNSt12_Vector_baseIiSaIiEE17_Vector_impl_dataE", !6, i64 0, !6, i64 8, !6, i64 16}
!23 = !{i8 0, i8 2}
!24 = !{}
!25 = !{!12, !13, i64 0}
!26 = distinct !{!26, !27}
!27 = !{!"llvm.loop.mustprogress"}


; Optimized IR (opt -passes='default<O3>'):
target datalayout = "e-m:e-p270:32:32-p271:32:32-p272:64:64-i64:64-i128:128-f80:128-n8:16:32:64-S128"
target triple = "x86_64-unknown-linux-gnu"

%"class.std::__cxx11::basic_string" = type { %"struct.std::__cxx11::basic_string<char>::_Alloc_hider", i64, %union.anon }
%"struct.std::__cxx11::basic_string<char>::_Alloc_hider" = type { ptr }
%union.anon = type { i64, [8 x i8] }
%"class.std::allocator.5" = type { i8 }
%"class.std::vector.0" = type { %"struct.std::_Vector_base.1" }
%"struct.std::_Vector_base.1" = type { %"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl" }
%"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl" = type { %"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl_data" }
%"struct.std::_Vector_base<int, std::allocator<int>>::_Vector_impl_data" = type { ptr, ptr, ptr }

@.str.3 = external hidden unnamed_addr constant [100 x i8], align 1

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt6vectorIiSaIiEEC2Ev(ptr noundef nonnull align 8 dereferenceable(24)) unnamed_addr #0 align 2

declare i32 @__gxx_personality_v0(...)

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24)) unnamed_addr #0 align 2

; Function Attrs: mustprogress uwtable
declare dso_local noundef nonnull align 8 dereferenceable(24) ptr @_ZNSt6vectorIiSaIiEEaSERKS1_(ptr noundef nonnull align 8 dereferenceable(24), ptr noundef nonnull align 8 dereferenceable(24)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #2

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #0 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32), ptr noundef, ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #1 align 2

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #2

declare void @_ZN6errors17assertMsgCriticalEbRKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(i1 noundef zeroext, ptr noundef nonnull align 8 dereferenceable(32)) local_unnamed_addr #3

; Function Attrs: mustprogress nounwind uwtable
declare void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32)) unnamed_addr #0 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local noundef i64 @_ZNKSt6vectorIiSaIiEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(24)) local_unnamed_addr #0 align 2

; Function Attrs: mustprogress nounwind uwtable
declare dso_local noundef nonnull align 4 dereferenceable(4) ptr @_ZNSt6vectorIiSaIiEEixEm(ptr noundef nonnull align 8 dereferenceable(24), i64 noundef) local_unnamed_addr #0 align 2

; Function Attrs: mustprogress uwtable
declare dso_local void @_ZNSt6vectorIiSaIiEE9push_backERKi(ptr noundef nonnull align 8 dereferenceable(24), ptr noundef nonnull align 4 dereferenceable(4)) local_unnamed_addr #1 align 2

; Function Attrs: mustprogress uwtable
define dso_local void @_ZN14CMolecularGrid34reDistributeCountsAndDisplacementsEii(ptr noundef nonnull align 8 dereferenceable(148) %0, i32 noundef %1, i32 noundef %2) local_unnamed_addr #1 align 2 personality ptr @__gxx_personality_v0 {
  %4 = alloca %"class.std::__cxx11::basic_string", align 8
  %5 = alloca %"class.std::allocator.5", align 1
  %6 = alloca %"class.std::vector.0", align 8
  %7 = alloca %"class.std::vector.0", align 8
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %4) #4
  call void @llvm.lifetime.start.p0(i64 1, ptr nonnull %5) #4
  call void @_ZNSaIcEC2Ev(ptr noundef nonnull align 1 dereferenceable(1) %5) #4
  invoke void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEC2IS3_EEPKcRKS3_(ptr noundef nonnull align 8 dereferenceable(32) %4, ptr noundef nonnull @.str.3, ptr noundef nonnull align 1 dereferenceable(1) %5)
          to label %8 unwind label %25

8:                                                ; preds = %3
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %5) #4
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %5) #4
  %9 = getelementptr inbounds i8, ptr %0, i64 40
  %10 = load i8, ptr %9, align 8, !tbaa !5, !range !21, !noundef !22
  %11 = trunc nuw i8 %10 to i1
  %12 = load i8, ptr %0, align 8, !range !21
  %13 = trunc nuw i8 %12 to i1
  %14 = select i1 %11, i1 %13, i1 false
  invoke void @_ZN6errors17assertMsgCriticalEbRKNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE(i1 noundef zeroext %14, ptr noundef nonnull align 8 dereferenceable(32) %4)
          to label %15 unwind label %27

15:                                               ; preds = %8
  %16 = getelementptr inbounds i8, ptr %0, i64 72
  %17 = call noundef i64 @_ZNKSt6vectorIiSaIiEE4sizeEv(ptr noundef nonnull align 8 dereferenceable(24) %16) #4
  %18 = trunc i64 %17 to i32
  call void @llvm.lifetime.start.p0(i64 24, ptr nonnull %6) #4
  call void @_ZNSt6vectorIiSaIiEEC2Ev(ptr noundef nonnull align 8 dereferenceable(24) %6) #4
  call void @llvm.lifetime.start.p0(i64 24, ptr nonnull %7) #4
  call void @_ZNSt6vectorIiSaIiEEC2Ev(ptr noundef nonnull align 8 dereferenceable(24) %7) #4
  %19 = xor i32 %1, -1
  %20 = add i32 %18, %19
  %21 = icmp sgt i32 %20, -1
  br i1 %21, label %.lr.ph, label %._crit_edge

.lr.ph:                                           ; preds = %15
  %22 = getelementptr inbounds i8, ptr %0, i64 120
  br label %29

._crit_edge:                                      ; preds = %34, %15
  %23 = getelementptr inbounds i8, ptr %0, i64 48
  %24 = invoke noundef nonnull align 8 dereferenceable(24) ptr @_ZNSt6vectorIiSaIiEEaSERKS1_(ptr noundef nonnull align 8 dereferenceable(24) %23, ptr noundef nonnull align 8 dereferenceable(24) %6)
          to label %39 unwind label %43

25:                                               ; preds = %3
  %26 = landingpad { ptr, i32 }
          cleanup
  call void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1) %5) #4
  call void @llvm.lifetime.end.p0(i64 1, ptr nonnull %5) #4
  br label %47

27:                                               ; preds = %8
  %28 = landingpad { ptr, i32 }
          cleanup
  br label %46

29:                                               ; preds = %.lr.ph, %34
  %.016 = phi i32 [ %20, %.lr.ph ], [ %35, %34 ]
  %30 = zext nneg i32 %.016 to i64
  %31 = call noundef nonnull align 4 dereferenceable(4) ptr @_ZNSt6vectorIiSaIiEEixEm(ptr noundef nonnull align 8 dereferenceable(24) %16, i64 noundef %30) #4
  invoke void @_ZNSt6vectorIiSaIiEE9push_backERKi(ptr noundef nonnull align 8 dereferenceable(24) %6, ptr noundef nonnull align 4 dereferenceable(4) %31)
          to label %32 unwind label %37

32:                                               ; preds = %29
  %33 = call noundef nonnull align 4 dereferenceable(4) ptr @_ZNSt6vectorIiSaIiEEixEm(ptr noundef nonnull align 8 dereferenceable(24) %22, i64 noundef %30) #4
  invoke void @_ZNSt6vectorIiSaIiEE9push_backERKi(ptr noundef nonnull align 8 dereferenceable(24) %7, ptr noundef nonnull align 4 dereferenceable(4) %33)
          to label %34 unwind label %37

34:                                               ; preds = %32
  %35 = sub nsw i32 %.016, %2
  %36 = icmp sgt i32 %35, -1
  br i1 %36, label %29, label %._crit_edge, !llvm.loop !23

37:                                               ; preds = %32, %29
  %38 = landingpad { ptr, i32 }
          cleanup
  br label %45

39:                                               ; preds = %._crit_edge
  %40 = getelementptr inbounds i8, ptr %0, i64 96
  %41 = invoke noundef nonnull align 8 dereferenceable(24) ptr @_ZNSt6vectorIiSaIiEEaSERKS1_(ptr noundef nonnull align 8 dereferenceable(24) %40, ptr noundef nonnull align 8 dereferenceable(24) %7)
          to label %42 unwind label %43

42:                                               ; preds = %39
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %7) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr nonnull %7) #4
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %6) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr nonnull %6) #4
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %4) #4
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %4) #4
  ret void

43:                                               ; preds = %39, %._crit_edge
  %44 = landingpad { ptr, i32 }
          cleanup
  br label %45

45:                                               ; preds = %43, %37
  %.pn = phi { ptr, i32 } [ %38, %37 ], [ %44, %43 ]
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %7) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr nonnull %7) #4
  call void @_ZNSt6vectorIiSaIiEED2Ev(ptr noundef nonnull align 8 dereferenceable(24) %6) #4
  call void @llvm.lifetime.end.p0(i64 24, ptr nonnull %6) #4
  br label %46

46:                                               ; preds = %45, %27
  %.pn.pn = phi { ptr, i32 } [ %.pn, %45 ], [ %28, %27 ]
  call void @_ZNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEED2Ev(ptr noundef nonnull align 8 dereferenceable(32) %4) #4
  br label %47

47:                                               ; preds = %46, %25
  %.pn.pn.pn = phi { ptr, i32 } [ %.pn.pn, %46 ], [ %26, %25 ]
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %4) #4
  resume { ptr, i32 } %.pn.pn.pn
}

; Function Attrs: mustprogress nounwind uwtable
declare dso_local void @_ZNSt15__new_allocatorIcED2Ev(ptr noundef nonnull align 1 dereferenceable(1)) unnamed_addr #0 align 2

attributes #0 = { mustprogress nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #1 = { mustprogress uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #2 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #3 = { "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #4 = { nounwind }

!llvm.module.flags = !{!0, !1, !2, !3}
!llvm.ident = !{!4}

!0 = !{i32 1, !"wchar_size", i32 4}
!1 = !{i32 8, !"PIC Level", i32 2}
!2 = !{i32 7, !"PIE Level", i32 2}
!3 = !{i32 7, !"uwtable", i32 2}
!4 = !{!"clang version 19.1.0 (git@github.com:llvm/llvm-project.git a4bf6cd7cfb1a1421ba92bca9d017b49936c55e4)"}
!5 = !{!6, !7, i64 40}
!6 = !{!"_ZTS14CMolecularGrid", !7, i64 0, !10, i64 8, !7, i64 40, !17, i64 48, !17, i64 72, !17, i64 96, !17, i64 120, !11, i64 144}
!7 = !{!"bool", !8, i64 0}
!8 = !{!"omnipotent char", !9, i64 0}
!9 = !{!"Simple C++ TBAA"}
!10 = !{!"_ZTS12CDenseMatrix", !11, i64 0, !11, i64 4, !12, i64 8}
!11 = !{!"int", !8, i64 0}
!12 = !{!"_ZTSSt6vectorIdSaIdEE", !13, i64 0}
!13 = !{!"_ZTSSt12_Vector_baseIdSaIdEE", !14, i64 0}
!14 = !{!"_ZTSNSt12_Vector_baseIdSaIdEE12_Vector_implE", !15, i64 0}
!15 = !{!"_ZTSNSt12_Vector_baseIdSaIdEE17_Vector_impl_dataE", !16, i64 0, !16, i64 8, !16, i64 16}
!16 = !{!"any pointer", !8, i64 0}
!17 = !{!"_ZTSSt6vectorIiSaIiEE", !18, i64 0}
!18 = !{!"_ZTSSt12_Vector_baseIiSaIiEE", !19, i64 0}
!19 = !{!"_ZTSNSt12_Vector_baseIiSaIiEE12_Vector_implE", !20, i64 0}
!20 = !{!"_ZTSNSt12_Vector_baseIiSaIiEE17_Vector_impl_dataE", !16, i64 0, !16, i64 8, !16, i64 16}
!21 = !{i8 0, i8 2}
!22 = !{}
!23 = distinct !{!23, !24}
!24 = !{!"llvm.loop.mustprogress"}


; Effective O3 passes: EarlyCSEPass,GlobalOptPass,IPSCCPPass,InferFunctionAttrsPass,InstCombinePass,JumpThreadingPass,LICMPass,LoopRotatePass,LoopSimplifyPass,LoopUnrollPass,ReassociatePass,SROAPass,SimplifyCFGPass