; LLVM IR from Discngine/fpocket :: src (energy)

; 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"

%struct.s_grid = type { ptr, ptr, i32, i32, i32, float }
%struct.s_pdb = type { ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, ptr, i32, i32, i32, i32, i32, float, float, float, float, float, float, [83 x i8], [500 x i8], float, float, float, i32, i32 }
%struct.s_pocket = type { ptr, ptr, float, float, float, float, [3 x float], i32, i32, i32, i32 }
%struct.c_lst_vertices = type { ptr, ptr, ptr, i64 }
%struct.node_vertice = type { ptr, ptr, ptr }

@.str.17 = external hidden unnamed_addr constant [18 x i8], align 1

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: nounwind uwtable
define dso_local void @assign_energies(ptr noundef %0, ptr noundef %1, ptr noundef %2, ptr noundef %3) #1 {
  %5 = alloca ptr, align 8
  %6 = alloca ptr, align 8
  %7 = alloca ptr, align 8
  %8 = alloca ptr, align 8
  %9 = alloca i32, align 4
  %10 = alloca i32, align 4
  %11 = alloca i32, align 4
  %12 = alloca ptr, align 8
  %13 = alloca i32, align 4
  %14 = alloca [3 x float], align 4
  %15 = alloca ptr, align 8
  store ptr %0, ptr %5, align 8, !tbaa !5
  store ptr %1, ptr %6, align 8, !tbaa !5
  store ptr %2, ptr %7, align 8, !tbaa !5
  store ptr %3, ptr %8, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %9) #4
  call void @llvm.lifetime.start.p0(i64 4, ptr %10) #4
  call void @llvm.lifetime.start.p0(i64 4, ptr %11) #4
  call void @llvm.lifetime.start.p0(i64 8, ptr %12) #4
  %16 = call ptr @my_malloc(i64 noundef 8000)
  store ptr %16, ptr %12, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %13) #4
  call void @llvm.lifetime.start.p0(i64 12, ptr %14) #4
  store i32 0, ptr %9, align 4, !tbaa !9
  br label %17

17:                                               ; preds = %99, %4
  %18 = load i32, ptr %9, align 4, !tbaa !9
  %19 = load ptr, ptr %5, align 8, !tbaa !5
  %20 = getelementptr inbounds %struct.s_grid, ptr %19, i32 0, i32 2
  %21 = load i32, ptr %20, align 8, !tbaa !11
  %22 = icmp slt i32 %18, %21
  br i1 %22, label %23, label %102

23:                                               ; preds = %17
  %24 = load i32, ptr %9, align 4, !tbaa !9
  %25 = load ptr, ptr %5, align 8, !tbaa !5
  %26 = getelementptr inbounds %struct.s_grid, ptr %25, i32 0, i32 2
  %27 = load i32, ptr %26, align 8, !tbaa !11
  %28 = call i32 (ptr, ...) @printf(ptr noundef @.str.17, i32 noundef %24, i32 noundef %27)
  store i32 0, ptr %10, align 4, !tbaa !9
  br label %29

29:                                               ; preds = %95, %23
  %30 = load i32, ptr %10, align 4, !tbaa !9
  %31 = load ptr, ptr %5, align 8, !tbaa !5
  %32 = getelementptr inbounds %struct.s_grid, ptr %31, i32 0, i32 3
  %33 = load i32, ptr %32, align 4, !tbaa !14
  %34 = icmp slt i32 %30, %33
  br i1 %34, label %35, label %98

35:                                               ; preds = %29
  store i32 0, ptr %11, align 4, !tbaa !9
  br label %36

36:                                               ; preds = %91, %35
  %37 = load i32, ptr %11, align 4, !tbaa !9
  %38 = load ptr, ptr %5, align 8, !tbaa !5
  %39 = getelementptr inbounds %struct.s_grid, ptr %38, i32 0, i32 4
  %40 = load i32, ptr %39, align 8, !tbaa !15
  %41 = icmp slt i32 %37, %40
  br i1 %41, label %42, label %94

42:                                               ; preds = %36
  store i32 0, ptr %13, align 4, !tbaa !9
  %43 = load ptr, ptr %5, align 8, !tbaa !5
  %44 = getelementptr inbounds %struct.s_grid, ptr %43, i32 0, i32 1
  %45 = load ptr, ptr %44, align 8, !tbaa !16
  %46 = getelementptr inbounds float, ptr %45, i64 0
  %47 = load float, ptr %46, align 4, !tbaa !17
  %48 = load i32, ptr %9, align 4, !tbaa !9
  %49 = sitofp i32 %48 to float
  %50 = load ptr, ptr %5, align 8, !tbaa !5
  %51 = getelementptr inbounds %struct.s_grid, ptr %50, i32 0, i32 5
  %52 = load float, ptr %51, align 4, !tbaa !18
  %53 = call float @llvm.fmuladd.f32(float %49, float %52, float %47)
  %54 = getelementptr inbounds [3 x float], ptr %14, i64 0, i64 0
  store float %53, ptr %54, align 4, !tbaa !17
  %55 = load ptr, ptr %5, align 8, !tbaa !5
  %56 = getelementptr inbounds %struct.s_grid, ptr %55, i32 0, i32 1
  %57 = load ptr, ptr %56, align 8, !tbaa !16
  %58 = getelementptr inbounds float, ptr %57, i64 1
  %59 = load float, ptr %58, align 4, !tbaa !17
  %60 = load i32, ptr %10, align 4, !tbaa !9
  %61 = sitofp i32 %60 to float
  %62 = load ptr, ptr %5, align 8, !tbaa !5
  %63 = getelementptr inbounds %struct.s_grid, ptr %62, i32 0, i32 5
  %64 = load float, ptr %63, align 4, !tbaa !18
  %65 = call float @llvm.fmuladd.f32(float %61, float %64, float %59)
  %66 = getelementptr inbounds [3 x float], ptr %14, i64 0, i64 1
  store float %65, ptr %66, align 4, !tbaa !17
  %67 = load ptr, ptr %5, align 8, !tbaa !5
  %68 = getelementptr inbounds %struct.s_grid, ptr %67, i32 0, i32 1
  %69 = load ptr, ptr %68, align 8, !tbaa !16
  %70 = getelementptr inbounds float, ptr %69, i64 2
  %71 = load float, ptr %70, align 4, !tbaa !17
  %72 = load i32, ptr %11, align 4, !tbaa !9
  %73 = sitofp i32 %72 to float
  %74 = load ptr, ptr %5, align 8, !tbaa !5
  %75 = getelementptr inbounds %struct.s_grid, ptr %74, i32 0, i32 5
  %76 = load float, ptr %75, align 4, !tbaa !18
  %77 = call float @llvm.fmuladd.f32(float %73, float %76, float %71)
  %78 = getelementptr inbounds [3 x float], ptr %14, i64 0, i64 2
  store float %77, ptr %78, align 4, !tbaa !17
  %79 = getelementptr inbounds [3 x float], ptr %14, i64 0, i64 0
  %80 = load ptr, ptr %8, align 8, !tbaa !5
  %81 = getelementptr inbounds %struct.s_pdb, ptr %80, i32 0, i32 1
  %82 = load ptr, ptr %81, align 8, !tbaa !19
  %83 = load ptr, ptr %12, align 8, !tbaa !5
  call void @get_atoms_in_near_grid_points(ptr noundef %79, ptr noundef %82, ptr noundef %13, ptr noundef %83)
  %84 = load i32, ptr %9, align 4, !tbaa !9
  %85 = load i32, ptr %10, align 4, !tbaa !9
  %86 = load i32, ptr %11, align 4, !tbaa !9
  %87 = load ptr, ptr %12, align 8, !tbaa !5
  %88 = load i32, ptr %13, align 4, !tbaa !9
  %89 = load ptr, ptr %5, align 8, !tbaa !5
  %90 = load ptr, ptr %6, align 8, !tbaa !5
  call void @set_energies_to_grid_point(i32 noundef %84, i32 noundef %85, i32 noundef %86, ptr noundef %87, i32 noundef %88, ptr noundef %89, ptr noundef %90)
  br label %91

91:                                               ; preds = %42
  %92 = load i32, ptr %11, align 4, !tbaa !9
  %93 = add nsw i32 %92, 1
  store i32 %93, ptr %11, align 4, !tbaa !9
  br label %36, !llvm.loop !21

94:                                               ; preds = %36
  br label %95

95:                                               ; preds = %94
  %96 = load i32, ptr %10, align 4, !tbaa !9
  %97 = add nsw i32 %96, 1
  store i32 %97, ptr %10, align 4, !tbaa !9
  br label %29, !llvm.loop !23

98:                                               ; preds = %29
  br label %99

99:                                               ; preds = %98
  %100 = load i32, ptr %9, align 4, !tbaa !9
  %101 = add nsw i32 %100, 1
  store i32 %101, ptr %9, align 4, !tbaa !9
  br label %17, !llvm.loop !24

102:                                              ; preds = %17
  %103 = load ptr, ptr %7, align 8, !tbaa !5
  %104 = getelementptr inbounds %struct.s_pocket, ptr %103, i32 0, i32 1
  %105 = load ptr, ptr %104, align 8, !tbaa !25
  %106 = icmp ne ptr %105, null
  br i1 %106, label %107, label %125

107:                                              ; preds = %102
  call void @llvm.lifetime.start.p0(i64 8, ptr %15) #4
  %108 = load ptr, ptr %7, align 8, !tbaa !5
  %109 = getelementptr inbounds %struct.s_pocket, ptr %108, i32 0, i32 1
  %110 = load ptr, ptr %109, align 8, !tbaa !25
  %111 = getelementptr inbounds %struct.c_lst_vertices, ptr %110, i32 0, i32 0
  %112 = load ptr, ptr %111, align 8, !tbaa !27
  store ptr %112, ptr %15, align 8, !tbaa !5
  br label %113

113:                                              ; preds = %116, %107
  %114 = load ptr, ptr %15, align 8, !tbaa !5
  %115 = icmp ne ptr %114, null
  br i1 %115, label %116, label %124

116:                                              ; preds = %113
  %117 = load ptr, ptr %15, align 8, !tbaa !5
  %118 = getelementptr inbounds %struct.node_vertice, ptr %117, i32 0, i32 2
  %119 = load ptr, ptr %118, align 8, !tbaa !30
  %120 = load ptr, ptr %5, align 8, !tbaa !5
  call void @set_alpha_sphere_electrostatic_energy(ptr noundef %119, ptr noundef %120)
  %121 = load ptr, ptr %15, align 8, !tbaa !5
  %122 = getelementptr inbounds %struct.node_vertice, ptr %121, i32 0, i32 0
  %123 = load ptr, ptr %122, align 8, !tbaa !32
  store ptr %123, ptr %15, align 8, !tbaa !5
  br label %113, !llvm.loop !33

124:                                              ; preds = %113
  call void @llvm.lifetime.end.p0(i64 8, ptr %15) #4
  br label %125

125:                                              ; preds = %124, %102
  call void @llvm.lifetime.end.p0(i64 12, ptr %14) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %13) #4
  call void @llvm.lifetime.end.p0(i64 8, ptr %12) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %11) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %10) #4
  call void @llvm.lifetime.end.p0(i64 4, ptr %9) #4
  ret void
}

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #0

declare ptr @my_malloc(i64 noundef) #2

declare i32 @printf(ptr noundef, ...) #2

; Function Attrs: nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare float @llvm.fmuladd.f32(float, float, float) #3

; Function Attrs: nounwind uwtable
declare dso_local void @get_atoms_in_near_grid_points(ptr noundef, ptr noundef, ptr noundef, ptr noundef) #1

; Function Attrs: nounwind uwtable
declare dso_local void @set_energies_to_grid_point(i32 noundef, i32 noundef, i32 noundef, ptr noundef, i32 noundef, ptr noundef, ptr noundef) #1

; Function Attrs: nounwind uwtable
declare dso_local void @set_alpha_sphere_electrostatic_energy(ptr noundef, ptr noundef) #1

attributes #0 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { 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 #2 = { "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 #3 = { nocallback nofree nosync nounwind speculatable willreturn memory(none) }
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/C++ TBAA"}
!9 = !{!10, !10, i64 0}
!10 = !{!"int", !7, i64 0}
!11 = !{!12, !10, i64 16}
!12 = !{!"s_grid", !6, i64 0, !6, i64 8, !10, i64 16, !10, i64 20, !10, i64 24, !13, i64 28}
!13 = !{!"float", !7, i64 0}
!14 = !{!12, !10, i64 20}
!15 = !{!12, !10, i64 24}
!16 = !{!12, !6, i64 8}
!17 = !{!13, !13, i64 0}
!18 = !{!12, !13, i64 28}
!19 = !{!20, !6, i64 8}
!20 = !{!"s_pdb", !6, i64 0, !6, i64 8, !6, i64 16, !6, i64 24, !6, i64 32, !6, i64 40, !6, i64 48, !6, i64 56, !6, i64 64, !10, i64 72, !10, i64 76, !10, i64 80, !10, i64 84, !10, i64 88, !13, i64 92, !13, i64 96, !13, i64 100, !13, i64 104, !13, i64 108, !13, i64 112, !7, i64 116, !7, i64 199, !13, i64 700, !13, i64 704, !13, i64 708, !10, i64 712, !10, i64 716}
!21 = distinct !{!21, !22}
!22 = !{!"llvm.loop.mustprogress"}
!23 = distinct !{!23, !22}
!24 = distinct !{!24, !22}
!25 = !{!26, !6, i64 8}
!26 = !{!"s_pocket", !6, i64 0, !6, i64 8, !13, i64 16, !13, i64 20, !13, i64 24, !13, i64 28, !7, i64 32, !10, i64 44, !10, i64 48, !10, i64 52, !10, i64 56}
!27 = !{!28, !6, i64 0}
!28 = !{!"c_lst_vertices", !6, i64 0, !6, i64 8, !6, i64 16, !29, i64 24}
!29 = !{!"long", !7, i64 0}
!30 = !{!31, !6, i64 16}
!31 = !{!"node_vertice", !6, i64 0, !6, i64 8, !6, i64 16}
!32 = !{!31, !6, i64 0}
!33 = distinct !{!33, !22}


; 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"

@.str.17 = external hidden unnamed_addr constant [18 x i8], align 1

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #0

; Function Attrs: nounwind uwtable
define dso_local void @assign_energies(ptr noundef %0, ptr noundef %1, ptr nocapture noundef readonly %2, ptr nocapture noundef readonly %3) local_unnamed_addr #1 {
  %5 = alloca i32, align 4
  %6 = alloca [3 x float], align 8
  %7 = tail call ptr @my_malloc(i64 noundef 8000) #6
  call void @llvm.lifetime.start.p0(i64 4, ptr nonnull %5) #6
  call void @llvm.lifetime.start.p0(i64 12, ptr nonnull %6) #6
  %8 = getelementptr inbounds i8, ptr %0, i64 16
  %9 = load i32, ptr %8, align 8, !tbaa !5
  %10 = icmp sgt i32 %9, 0
  br i1 %10, label %.lr.ph46, label %._crit_edge47

.lr.ph46:                                         ; preds = %4
  %11 = getelementptr inbounds i8, ptr %0, i64 20
  %12 = getelementptr inbounds i8, ptr %0, i64 24
  %13 = getelementptr inbounds i8, ptr %0, i64 8
  %14 = getelementptr inbounds i8, ptr %0, i64 28
  %15 = getelementptr inbounds i8, ptr %6, i64 8
  %16 = getelementptr inbounds i8, ptr %3, i64 8
  br label %17

17:                                               ; preds = %.lr.ph46, %._crit_edge42
  %18 = phi i32 [ %9, %.lr.ph46 ], [ %52, %._crit_edge42 ]
  %.03343 = phi i32 [ 0, %.lr.ph46 ], [ %51, %._crit_edge42 ]
  %19 = call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.17, i32 noundef %.03343, i32 noundef %18)
  %20 = load i32, ptr %11, align 4, !tbaa !12
  %21 = icmp sgt i32 %20, 0
  br i1 %21, label %.preheader39.lr.ph, label %._crit_edge42

.preheader39.lr.ph:                               ; preds = %17
  %22 = uitofp nneg i32 %.03343 to float
  %23 = load i32, ptr %12, align 8, !tbaa !13
  %24 = icmp sgt i32 %23, 0
  br i1 %24, label %.preheader39.preheader, label %._crit_edge42

.preheader39.preheader:                           ; preds = %.preheader39.lr.ph
  %25 = insertelement <2 x float> poison, float %22, i64 0
  br label %.preheader39

.preheader39:                                     ; preds = %.preheader39.preheader, %._crit_edge
  %26 = phi i32 [ %47, %._crit_edge ], [ %20, %.preheader39.preheader ]
  %27 = phi i32 [ %48, %._crit_edge ], [ %23, %.preheader39.preheader ]
  %.03541 = phi i32 [ %49, %._crit_edge ], [ 0, %.preheader39.preheader ]
  %28 = icmp sgt i32 %27, 0
  br i1 %28, label %.lr.ph, label %._crit_edge

.lr.ph:                                           ; preds = %.preheader39
  %29 = uitofp nneg i32 %.03541 to float
  %30 = insertelement <2 x float> %25, float %29, i64 1
  br label %31

31:                                               ; preds = %.lr.ph, %31
  %.03440 = phi i32 [ 0, %.lr.ph ], [ %44, %31 ]
  store i32 0, ptr %5, align 4, !tbaa !14
  %32 = load ptr, ptr %13, align 8, !tbaa !15
  %33 = load float, ptr %14, align 4, !tbaa !16
  %34 = load <2 x float>, ptr %32, align 4, !tbaa !17
  %35 = insertelement <2 x float> poison, float %33, i64 0
  %36 = shufflevector <2 x float> %35, <2 x float> poison, <2 x i32> zeroinitializer
  %37 = call <2 x float> @llvm.fmuladd.v2f32(<2 x float> %30, <2 x float> %36, <2 x float> %34)
  store <2 x float> %37, ptr %6, align 8, !tbaa !17
  %38 = getelementptr inbounds i8, ptr %32, i64 8
  %39 = load float, ptr %38, align 4, !tbaa !17
  %40 = uitofp nneg i32 %.03440 to float
  %41 = call float @llvm.fmuladd.f32(float %40, float %33, float %39)
  store float %41, ptr %15, align 8, !tbaa !17
  %42 = load ptr, ptr %16, align 8, !tbaa !18
  call void @get_atoms_in_near_grid_points(ptr noundef nonnull %6, ptr noundef %42, ptr noundef nonnull %5, ptr noundef %7)
  %43 = load i32, ptr %5, align 4, !tbaa !14
  call void @set_energies_to_grid_point(i32 noundef %.03343, i32 noundef %.03541, i32 noundef %.03440, ptr noundef %7, i32 noundef %43, ptr noundef nonnull %0, ptr noundef %1)
  %44 = add nuw nsw i32 %.03440, 1
  %45 = load i32, ptr %12, align 8, !tbaa !13
  %46 = icmp slt i32 %44, %45
  br i1 %46, label %31, label %._crit_edge.loopexit, !llvm.loop !20

._crit_edge.loopexit:                             ; preds = %31
  %.pre = load i32, ptr %11, align 4, !tbaa !12
  br label %._crit_edge

._crit_edge:                                      ; preds = %._crit_edge.loopexit, %.preheader39
  %47 = phi i32 [ %.pre, %._crit_edge.loopexit ], [ %26, %.preheader39 ]
  %48 = phi i32 [ %45, %._crit_edge.loopexit ], [ %27, %.preheader39 ]
  %49 = add nuw nsw i32 %.03541, 1
  %50 = icmp slt i32 %49, %47
  br i1 %50, label %.preheader39, label %._crit_edge42, !llvm.loop !22

._crit_edge42:                                    ; preds = %._crit_edge, %.preheader39.lr.ph, %17
  %51 = add nuw nsw i32 %.03343, 1
  %52 = load i32, ptr %8, align 8, !tbaa !5
  %53 = icmp slt i32 %51, %52
  br i1 %53, label %17, label %._crit_edge47, !llvm.loop !24

._crit_edge47:                                    ; preds = %._crit_edge42, %4
  %54 = getelementptr inbounds i8, ptr %2, i64 8
  %55 = load ptr, ptr %54, align 8, !tbaa !25
  %.not = icmp eq ptr %55, null
  br i1 %.not, label %.loopexit, label %.preheader

.preheader:                                       ; preds = %._crit_edge47
  %.048 = load ptr, ptr %55, align 8, !tbaa !27
  %.not3849 = icmp eq ptr %.048, null
  br i1 %.not3849, label %.loopexit, label %.lr.ph51

.lr.ph51:                                         ; preds = %.preheader, %.lr.ph51
  %.050 = phi ptr [ %.0, %.lr.ph51 ], [ %.048, %.preheader ]
  %56 = getelementptr inbounds i8, ptr %.050, i64 16
  %57 = load ptr, ptr %56, align 8, !tbaa !28
  call void @set_alpha_sphere_electrostatic_energy(ptr noundef %57, ptr noundef %0)
  %.0 = load ptr, ptr %.050, align 8, !tbaa !27
  %.not38 = icmp eq ptr %.0, null
  br i1 %.not38, label %.loopexit, label %.lr.ph51, !llvm.loop !30

.loopexit:                                        ; preds = %.lr.ph51, %.preheader, %._crit_edge47
  call void @llvm.lifetime.end.p0(i64 12, ptr nonnull %6) #6
  call void @llvm.lifetime.end.p0(i64 4, ptr nonnull %5) #6
  ret void
}

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #0

declare ptr @my_malloc(i64 noundef) local_unnamed_addr #2

; Function Attrs: nofree nounwind
declare noundef i32 @printf(ptr nocapture noundef readonly, ...) local_unnamed_addr #3

; Function Attrs: mustprogress nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare float @llvm.fmuladd.f32(float, float, float) #4

; Function Attrs: nounwind uwtable
declare dso_local void @get_atoms_in_near_grid_points(ptr noundef, ptr noundef, ptr noundef, ptr noundef) local_unnamed_addr #1

; Function Attrs: nounwind uwtable
declare dso_local void @set_energies_to_grid_point(i32 noundef, i32 noundef, i32 noundef, ptr noundef, i32 noundef, ptr noundef, ptr noundef) local_unnamed_addr #1

; Function Attrs: nounwind uwtable
declare dso_local void @set_alpha_sphere_electrostatic_energy(ptr noundef, ptr noundef) local_unnamed_addr #1

; Function Attrs: nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare <2 x float> @llvm.fmuladd.v2f32(<2 x float>, <2 x float>, <2 x float>) #5

attributes #0 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { 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 #2 = { "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 #3 = { nofree nounwind "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 = { mustprogress nocallback nofree nosync nounwind speculatable willreturn memory(none) }
attributes #5 = { nocallback nofree nosync nounwind speculatable willreturn memory(none) }
attributes #6 = { 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, !10, i64 16}
!6 = !{!"s_grid", !7, i64 0, !7, i64 8, !10, i64 16, !10, i64 20, !10, i64 24, !11, i64 28}
!7 = !{!"any pointer", !8, i64 0}
!8 = !{!"omnipotent char", !9, i64 0}
!9 = !{!"Simple C/C++ TBAA"}
!10 = !{!"int", !8, i64 0}
!11 = !{!"float", !8, i64 0}
!12 = !{!6, !10, i64 20}
!13 = !{!6, !10, i64 24}
!14 = !{!10, !10, i64 0}
!15 = !{!6, !7, i64 8}
!16 = !{!6, !11, i64 28}
!17 = !{!11, !11, i64 0}
!18 = !{!19, !7, i64 8}
!19 = !{!"s_pdb", !7, i64 0, !7, i64 8, !7, i64 16, !7, i64 24, !7, i64 32, !7, i64 40, !7, i64 48, !7, i64 56, !7, i64 64, !10, i64 72, !10, i64 76, !10, i64 80, !10, i64 84, !10, i64 88, !11, i64 92, !11, i64 96, !11, i64 100, !11, i64 104, !11, i64 108, !11, i64 112, !8, i64 116, !8, i64 199, !11, i64 700, !11, i64 704, !11, i64 708, !10, i64 712, !10, i64 716}
!20 = distinct !{!20, !21}
!21 = !{!"llvm.loop.mustprogress"}
!22 = distinct !{!22, !21, !23}
!23 = !{!"llvm.loop.unswitch.partial.disable"}
!24 = distinct !{!24, !21}
!25 = !{!26, !7, i64 8}
!26 = !{!"s_pocket", !7, i64 0, !7, i64 8, !11, i64 16, !11, i64 20, !11, i64 24, !11, i64 28, !8, i64 32, !10, i64 44, !10, i64 48, !10, i64 52, !10, i64 56}
!27 = !{!7, !7, i64 0}
!28 = !{!29, !7, i64 16}
!29 = !{!"node_vertice", !7, i64 0, !7, i64 8, !7, i64 16}
!30 = distinct !{!30, !21}


; Effective O3 passes: CorrelatedValuePropagationPass,EarlyCSEPass,GVNPass,GlobalOptPass,IndVarSimplifyPass,InferAlignmentPass,InferFunctionAttrsPass,InstCombinePass,InstSimplifyPass,JumpThreadingPass,LCSSAPass,LICMPass,LoopRotatePass,LoopSimplifyCFGPass,LoopSimplifyPass,LoopUnrollPass,PostOrderFunctionAttrsPass,SLPVectorizerPass,SROAPass,SimpleLoopUnswitchPass,SimplifyCFGPass,TailCallElimPass