; LLVM IR from alexzheng42/sDMD :: src (Events)

; 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.AtomStr = type { ptr, ptr }
%struct.PropertyStr = type { [8 x i8], [2 x [16 x i8]], [8 x i8], i32, i32, i32, double, double, [3 x double], %struct.AtomSeqStr, ptr, ptr }
%struct.AtomSeqStr = type { i32, i32, i32 }
%struct.DynamicStr = type { [4 x i32], [4 x double], [4 x double], %struct.HBStr, %struct.HBNeighborStr, %struct.InteractionEventStr }
%struct.HBStr = type { i32, i32, i8, i32 }
%struct.HBNeighborStr = type { [5 x i32], i32, i32 }
%struct.InteractionEventStr = type { i32, i64, i64, double, double, i32, i32 }
%struct.AtomListStr = type { i32, [27 x i32], [27 x i32], [27 x i32], double, ptr, ptr, ptr }

@.str.1 = external hidden unnamed_addr constant [63 x i8], align 1
@atomnum = external global i32, align 4
@cellnum = external global [4 x i32], align 16
@celllist = external global ptr, align 8
@connectionMap = external global ptr, align 8
@.str.21 = external hidden unnamed_addr constant [7 x i8], align 1
@.str.22 = external hidden unnamed_addr constant [4 x i8], align 1
@cutoffr = external global double, align 8
@.str.28 = external hidden unnamed_addr constant [10 x i8], align 1
@.str.29 = external hidden unnamed_addr constant [35 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

declare i32 @printf(ptr noundef, ...) #1

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

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(none)
declare i64 @llvm.expect.i64(i64, i64) #2

; Function Attrs: nounwind willreturn memory(read)
declare i32 @strcmp(ptr noundef, ptr noundef) #3

; Function Attrs: nocallback nofree nounwind willreturn memory(argmem: write)
declare void @llvm.memset.p0.i64(ptr nocapture writeonly, i8, i64, i1 immarg) #4

; Function Attrs: nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare double @llvm.fmuladd.f64(double, double, double) #5

; Function Attrs: nounwind uwtable
define dso_local double @HBEnergyChange(ptr noundef %0, i32 noundef %1, ptr noundef %2, ptr noundef %3) #6 {
  %5 = alloca ptr, align 8
  %6 = alloca i32, align 4
  %7 = alloca ptr, align 8
  %8 = alloca ptr, align 8
  %9 = alloca i32, align 4
  %10 = alloca i32, align 4
  %11 = alloca [4 x i32], align 16
  %12 = alloca i32, align 4
  %13 = alloca ptr, align 8
  %14 = alloca double, align 8
  %15 = alloca double, align 8
  %16 = alloca [4 x double], align 16
  %17 = alloca [4 x double], align 16
  %18 = alloca [4 x double], align 16
  %19 = alloca [4 x double], align 16
  %20 = alloca [4 x double], align 16
  %21 = alloca double, align 8
  %22 = alloca double, align 8
  %23 = alloca double, align 8
  %24 = alloca ptr, align 8
  %25 = alloca i32, align 4
  %26 = alloca i32, align 4
  %27 = alloca i32, align 4
  store ptr %0, ptr %5, align 8, !tbaa !5
  store i32 %1, ptr %6, align 4, !tbaa !9
  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) #7
  call void @llvm.lifetime.start.p0(i64 4, ptr %10) #7
  call void @llvm.lifetime.start.p0(i64 16, ptr %11) #7
  call void @llvm.lifetime.start.p0(i64 4, ptr %12) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %13) #7
  %28 = load ptr, ptr @celllist, align 8, !tbaa !5
  store ptr %28, ptr %13, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 8, ptr %14) #7
  %29 = load double, ptr @cutoffr, align 8, !tbaa !11
  %30 = load double, ptr @cutoffr, align 8, !tbaa !11
  %31 = fmul double %29, %30
  store double %31, ptr %14, align 8, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 8, ptr %15) #7
  store double 0.000000e+00, ptr %15, align 8, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 32, ptr %16) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %17) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %18) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %19) #7
  call void @llvm.memset.p0.i64(ptr align 16 %19, i8 0, i64 32, i1 false)
  call void @llvm.lifetime.start.p0(i64 32, ptr %20) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %21) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %22) #7
  store double 0.000000e+00, ptr %22, align 8, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 8, ptr %23) #7
  store double 0.000000e+00, ptr %23, align 8, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 8, ptr %24) #7
  %32 = load ptr, ptr %5, align 8, !tbaa !5
  %33 = getelementptr inbounds %struct.AtomStr, ptr %32, i32 0, i32 0
  %34 = load ptr, ptr %33, align 8, !tbaa !13
  %35 = getelementptr inbounds %struct.PropertyStr, ptr %34, i32 0, i32 3
  %36 = load i32, ptr %35, align 8, !tbaa !15
  store i32 %36, ptr %9, align 4, !tbaa !9
  %37 = load ptr, ptr %5, align 8, !tbaa !5
  %38 = getelementptr inbounds %struct.AtomStr, ptr %37, i32 0, i32 1
  %39 = load ptr, ptr %38, align 8, !tbaa !18
  %40 = getelementptr inbounds %struct.DynamicStr, ptr %39, i32 0, i32 1
  %41 = getelementptr inbounds [4 x double], ptr %40, i64 0, i64 0
  %42 = load double, ptr %41, align 8, !tbaa !11
  %43 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 0
  store double %42, ptr %43, align 16, !tbaa !11
  %44 = load ptr, ptr %5, align 8, !tbaa !5
  %45 = getelementptr inbounds %struct.AtomStr, ptr %44, i32 0, i32 1
  %46 = load ptr, ptr %45, align 8, !tbaa !18
  %47 = getelementptr inbounds %struct.DynamicStr, ptr %46, i32 0, i32 1
  %48 = getelementptr inbounds [4 x double], ptr %47, i64 0, i64 1
  %49 = load double, ptr %48, align 8, !tbaa !11
  %50 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 1
  store double %49, ptr %50, align 8, !tbaa !11
  %51 = load ptr, ptr %5, align 8, !tbaa !5
  %52 = getelementptr inbounds %struct.AtomStr, ptr %51, i32 0, i32 1
  %53 = load ptr, ptr %52, align 8, !tbaa !18
  %54 = getelementptr inbounds %struct.DynamicStr, ptr %53, i32 0, i32 1
  %55 = getelementptr inbounds [4 x double], ptr %54, i64 0, i64 2
  %56 = load double, ptr %55, align 8, !tbaa !11
  %57 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 2
  store double %56, ptr %57, align 16, !tbaa !11
  %58 = load ptr, ptr %5, align 8, !tbaa !5
  %59 = getelementptr inbounds %struct.AtomStr, ptr %58, i32 0, i32 1
  %60 = load ptr, ptr %59, align 8, !tbaa !18
  %61 = getelementptr inbounds %struct.DynamicStr, ptr %60, i32 0, i32 1
  %62 = getelementptr inbounds [4 x double], ptr %61, i64 0, i64 3
  %63 = load double, ptr %62, align 8, !tbaa !11
  %64 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 3
  store double %63, ptr %64, align 8, !tbaa !11
  call void @llvm.lifetime.start.p0(i64 4, ptr %25) #7
  store i32 0, ptr %25, align 4, !tbaa !9
  br label %65

65:                                               ; preds = %368, %4
  %66 = load i32, ptr %25, align 4, !tbaa !9
  %67 = icmp slt i32 %66, 27
  br i1 %67, label %69, label %68

68:                                               ; preds = %65
  store i32 2, ptr %26, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %25) #7
  br label %371

69:                                               ; preds = %65
  %70 = load ptr, ptr %5, align 8, !tbaa !5
  %71 = getelementptr inbounds %struct.AtomStr, ptr %70, i32 0, i32 1
  %72 = load ptr, ptr %71, align 8, !tbaa !18
  %73 = getelementptr inbounds %struct.DynamicStr, ptr %72, i32 0, i32 0
  %74 = getelementptr inbounds [4 x i32], ptr %73, i64 0, i64 3
  %75 = load i32, ptr %74, align 4, !tbaa !9
  %76 = load ptr, ptr %8, align 8, !tbaa !5
  %77 = getelementptr inbounds %struct.AtomListStr, ptr %76, i32 0, i32 3
  %78 = load i32, ptr %25, align 4, !tbaa !9
  %79 = sext i32 %78 to i64
  %80 = getelementptr inbounds [27 x i32], ptr %77, i64 0, i64 %79
  %81 = load i32, ptr %80, align 4, !tbaa !9
  %82 = add nsw i32 %75, %81
  %83 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 3
  store i32 %82, ptr %83, align 4, !tbaa !9
  %84 = load ptr, ptr %5, align 8, !tbaa !5
  %85 = getelementptr inbounds %struct.AtomStr, ptr %84, i32 0, i32 1
  %86 = load ptr, ptr %85, align 8, !tbaa !18
  %87 = getelementptr inbounds %struct.DynamicStr, ptr %86, i32 0, i32 0
  %88 = getelementptr inbounds [4 x i32], ptr %87, i64 0, i64 2
  %89 = load i32, ptr %88, align 8, !tbaa !9
  %90 = load ptr, ptr %8, align 8, !tbaa !5
  %91 = getelementptr inbounds %struct.AtomListStr, ptr %90, i32 0, i32 2
  %92 = load i32, ptr %25, align 4, !tbaa !9
  %93 = sext i32 %92 to i64
  %94 = getelementptr inbounds [27 x i32], ptr %91, i64 0, i64 %93
  %95 = load i32, ptr %94, align 4, !tbaa !9
  %96 = add nsw i32 %89, %95
  %97 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 2
  store i32 %96, ptr %97, align 8, !tbaa !9
  %98 = load ptr, ptr %5, align 8, !tbaa !5
  %99 = getelementptr inbounds %struct.AtomStr, ptr %98, i32 0, i32 1
  %100 = load ptr, ptr %99, align 8, !tbaa !18
  %101 = getelementptr inbounds %struct.DynamicStr, ptr %100, i32 0, i32 0
  %102 = getelementptr inbounds [4 x i32], ptr %101, i64 0, i64 1
  %103 = load i32, ptr %102, align 4, !tbaa !9
  %104 = load ptr, ptr %8, align 8, !tbaa !5
  %105 = getelementptr inbounds %struct.AtomListStr, ptr %104, i32 0, i32 1
  %106 = load i32, ptr %25, align 4, !tbaa !9
  %107 = sext i32 %106 to i64
  %108 = getelementptr inbounds [27 x i32], ptr %105, i64 0, i64 %107
  %109 = load i32, ptr %108, align 4, !tbaa !9
  %110 = add nsw i32 %103, %109
  %111 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 1
  store i32 %110, ptr %111, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 4, ptr %27) #7
  store i32 1, ptr %27, align 4, !tbaa !9
  br label %112

112:                                              ; preds = %159, %69
  %113 = load i32, ptr %27, align 4, !tbaa !9
  %114 = icmp sle i32 %113, 3
  br i1 %114, label %116, label %115

115:                                              ; preds = %112
  store i32 5, ptr %26, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %27) #7
  br label %162

116:                                              ; preds = %112
  %117 = load i32, ptr %27, align 4, !tbaa !9
  %118 = sext i32 %117 to i64
  %119 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 %118
  %120 = load i32, ptr %119, align 4, !tbaa !9
  %121 = icmp slt i32 %120, 0
  %122 = xor i1 %121, true
  %123 = xor i1 %122, true
  %124 = zext i1 %123 to i32
  %125 = sext i32 %124 to i64
  %126 = call i64 @llvm.expect.i64(i64 %125, i64 0)
  %127 = icmp ne i64 %126, 0
  br i1 %127, label %128, label %137

128:                                              ; preds = %116
  %129 = load i32, ptr %27, align 4, !tbaa !9
  %130 = sext i32 %129 to i64
  %131 = getelementptr inbounds [4 x i32], ptr @cellnum, i64 0, i64 %130
  %132 = load i32, ptr %131, align 4, !tbaa !9
  %133 = sub nsw i32 %132, 1
  %134 = load i32, ptr %27, align 4, !tbaa !9
  %135 = sext i32 %134 to i64
  %136 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 %135
  store i32 %133, ptr %136, align 4, !tbaa !9
  br label %158

137:                                              ; preds = %116
  %138 = load i32, ptr %27, align 4, !tbaa !9
  %139 = sext i32 %138 to i64
  %140 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 %139
  %141 = load i32, ptr %140, align 4, !tbaa !9
  %142 = load i32, ptr %27, align 4, !tbaa !9
  %143 = sext i32 %142 to i64
  %144 = getelementptr inbounds [4 x i32], ptr @cellnum, i64 0, i64 %143
  %145 = load i32, ptr %144, align 4, !tbaa !9
  %146 = icmp sge i32 %141, %145
  %147 = xor i1 %146, true
  %148 = xor i1 %147, true
  %149 = zext i1 %148 to i32
  %150 = sext i32 %149 to i64
  %151 = call i64 @llvm.expect.i64(i64 %150, i64 0)
  %152 = icmp ne i64 %151, 0
  br i1 %152, label %153, label %157

153:                                              ; preds = %137
  %154 = load i32, ptr %27, align 4, !tbaa !9
  %155 = sext i32 %154 to i64
  %156 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 %155
  store i32 0, ptr %156, align 4, !tbaa !9
  br label %157

157:                                              ; preds = %153, %137
  br label %158

158:                                              ; preds = %157, %128
  br label %159

159:                                              ; preds = %158
  %160 = load i32, ptr %27, align 4, !tbaa !9
  %161 = add nsw i32 %160, 1
  store i32 %161, ptr %27, align 4, !tbaa !9
  br label %112, !llvm.loop !19

162:                                              ; preds = %115
  %163 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 3
  %164 = load i32, ptr %163, align 4, !tbaa !9
  %165 = load i32, ptr getelementptr inbounds ([4 x i32], ptr @cellnum, i64 0, i64 1), align 4, !tbaa !9
  %166 = mul nsw i32 %164, %165
  %167 = load i32, ptr getelementptr inbounds ([4 x i32], ptr @cellnum, i64 0, i64 2), align 8, !tbaa !9
  %168 = mul nsw i32 %166, %167
  %169 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 2
  %170 = load i32, ptr %169, align 8, !tbaa !9
  %171 = load i32, ptr getelementptr inbounds ([4 x i32], ptr @cellnum, i64 0, i64 1), align 4, !tbaa !9
  %172 = mul nsw i32 %170, %171
  %173 = add nsw i32 %168, %172
  %174 = getelementptr inbounds [4 x i32], ptr %11, i64 0, i64 1
  %175 = load i32, ptr %174, align 4, !tbaa !9
  %176 = add nsw i32 %173, %175
  %177 = add nsw i32 %176, 1
  store i32 %177, ptr %12, align 4, !tbaa !9
  %178 = load ptr, ptr %13, align 8, !tbaa !5
  %179 = load i32, ptr @atomnum, align 4, !tbaa !9
  %180 = load i32, ptr %12, align 4, !tbaa !9
  %181 = add nsw i32 %179, %180
  %182 = sext i32 %181 to i64
  %183 = getelementptr inbounds i32, ptr %178, i64 %182
  %184 = load i32, ptr %183, align 4, !tbaa !9
  store i32 %184, ptr %10, align 4, !tbaa !9
  br label %185

185:                                              ; preds = %361, %162
  %186 = load i32, ptr %10, align 4, !tbaa !9
  %187 = icmp ne i32 %186, 0
  br i1 %187, label %188, label %367

188:                                              ; preds = %185
  %189 = load ptr, ptr %8, align 8, !tbaa !5
  %190 = getelementptr inbounds %struct.AtomListStr, ptr %189, i32 0, i32 7
  %191 = load ptr, ptr %190, align 8, !tbaa !21
  %192 = load i32, ptr %10, align 4, !tbaa !9
  %193 = sext i32 %192 to i64
  %194 = getelementptr inbounds ptr, ptr %191, i64 %193
  %195 = load ptr, ptr %194, align 8, !tbaa !5
  store ptr %195, ptr %24, align 8, !tbaa !5
  %196 = load i32, ptr %9, align 4, !tbaa !9
  %197 = load i32, ptr %10, align 4, !tbaa !9
  %198 = icmp ne i32 %196, %197
  br i1 %198, label %199, label %361

199:                                              ; preds = %188
  %200 = load ptr, ptr @connectionMap, align 8, !tbaa !5
  %201 = load i32, ptr %9, align 4, !tbaa !9
  %202 = sext i32 %201 to i64
  %203 = getelementptr inbounds ptr, ptr %200, i64 %202
  %204 = load ptr, ptr %203, align 8, !tbaa !5
  %205 = load i32, ptr %10, align 4, !tbaa !9
  %206 = sext i32 %205 to i64
  %207 = getelementptr inbounds i32, ptr %204, i64 %206
  %208 = load i32, ptr %207, align 4, !tbaa !9
  %209 = and i32 %208, 1
  %210 = icmp ne i32 %209, 0
  br i1 %210, label %361, label %211

211:                                              ; preds = %199
  %212 = load ptr, ptr @connectionMap, align 8, !tbaa !5
  %213 = load i32, ptr %9, align 4, !tbaa !9
  %214 = sext i32 %213 to i64
  %215 = getelementptr inbounds ptr, ptr %212, i64 %214
  %216 = load ptr, ptr %215, align 8, !tbaa !5
  %217 = load i32, ptr %10, align 4, !tbaa !9
  %218 = sext i32 %217 to i64
  %219 = getelementptr inbounds i32, ptr %216, i64 %218
  %220 = load i32, ptr %219, align 4, !tbaa !9
  %221 = and i32 %220, 2
  %222 = icmp ne i32 %221, 0
  br i1 %222, label %361, label %223

223:                                              ; preds = %211
  %224 = load i32, ptr %10, align 4, !tbaa !9
  %225 = load i32, ptr %6, align 4, !tbaa !9
  %226 = icmp ne i32 %224, %225
  br i1 %226, label %227, label %361

227:                                              ; preds = %223
  %228 = load ptr, ptr %24, align 8, !tbaa !5
  %229 = getelementptr inbounds %struct.AtomStr, ptr %228, i32 0, i32 1
  %230 = load ptr, ptr %229, align 8, !tbaa !18
  %231 = getelementptr inbounds %struct.DynamicStr, ptr %230, i32 0, i32 1
  %232 = getelementptr inbounds [4 x double], ptr %231, i64 0, i64 0
  %233 = load double, ptr %232, align 8, !tbaa !11
  %234 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 0
  store double %233, ptr %234, align 16, !tbaa !11
  %235 = load ptr, ptr %24, align 8, !tbaa !5
  %236 = getelementptr inbounds %struct.AtomStr, ptr %235, i32 0, i32 1
  %237 = load ptr, ptr %236, align 8, !tbaa !18
  %238 = getelementptr inbounds %struct.DynamicStr, ptr %237, i32 0, i32 1
  %239 = getelementptr inbounds [4 x double], ptr %238, i64 0, i64 1
  %240 = load double, ptr %239, align 8, !tbaa !11
  %241 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 1
  store double %240, ptr %241, align 8, !tbaa !11
  %242 = load ptr, ptr %24, align 8, !tbaa !5
  %243 = getelementptr inbounds %struct.AtomStr, ptr %242, i32 0, i32 1
  %244 = load ptr, ptr %243, align 8, !tbaa !18
  %245 = getelementptr inbounds %struct.DynamicStr, ptr %244, i32 0, i32 1
  %246 = getelementptr inbounds [4 x double], ptr %245, i64 0, i64 2
  %247 = load double, ptr %246, align 8, !tbaa !11
  %248 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 2
  store double %247, ptr %248, align 16, !tbaa !11
  %249 = load ptr, ptr %24, align 8, !tbaa !5
  %250 = getelementptr inbounds %struct.AtomStr, ptr %249, i32 0, i32 1
  %251 = load ptr, ptr %250, align 8, !tbaa !18
  %252 = getelementptr inbounds %struct.DynamicStr, ptr %251, i32 0, i32 1
  %253 = getelementptr inbounds [4 x double], ptr %252, i64 0, i64 3
  %254 = load double, ptr %253, align 8, !tbaa !11
  %255 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 3
  store double %254, ptr %255, align 8, !tbaa !11
  %256 = load ptr, ptr %5, align 8, !tbaa !5
  %257 = load ptr, ptr %24, align 8, !tbaa !5
  %258 = getelementptr inbounds [4 x double], ptr %19, i64 0, i64 0
  call void @PBCShift(ptr noundef %256, ptr noundef %257, ptr noundef %258)
  %259 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 1
  %260 = load double, ptr %259, align 8, !tbaa !11
  %261 = getelementptr inbounds [4 x double], ptr %19, i64 0, i64 1
  %262 = load double, ptr %261, align 8, !tbaa !11
  %263 = fadd double %260, %262
  %264 = getelementptr inbounds [4 x double], ptr %18, i64 0, i64 1
  store double %263, ptr %264, align 8, !tbaa !11
  %265 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 2
  %266 = load double, ptr %265, align 16, !tbaa !11
  %267 = getelementptr inbounds [4 x double], ptr %19, i64 0, i64 2
  %268 = load double, ptr %267, align 16, !tbaa !11
  %269 = fadd double %266, %268
  %270 = getelementptr inbounds [4 x double], ptr %18, i64 0, i64 2
  store double %269, ptr %270, align 16, !tbaa !11
  %271 = getelementptr inbounds [4 x double], ptr %17, i64 0, i64 3
  %272 = load double, ptr %271, align 8, !tbaa !11
  %273 = getelementptr inbounds [4 x double], ptr %19, i64 0, i64 3
  %274 = load double, ptr %273, align 8, !tbaa !11
  %275 = fadd double %272, %274
  %276 = getelementptr inbounds [4 x double], ptr %18, i64 0, i64 3
  store double %275, ptr %276, align 8, !tbaa !11
  %277 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 1
  %278 = load double, ptr %277, align 8, !tbaa !11
  %279 = getelementptr inbounds [4 x double], ptr %18, i64 0, i64 1
  %280 = load double, ptr %279, align 8, !tbaa !11
  %281 = fsub double %278, %280
  %282 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 1
  store double %281, ptr %282, align 8, !tbaa !11
  %283 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 2
  %284 = load double, ptr %283, align 16, !tbaa !11
  %285 = getelementptr inbounds [4 x double], ptr %18, i64 0, i64 2
  %286 = load double, ptr %285, align 16, !tbaa !11
  %287 = fsub double %284, %286
  %288 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 2
  store double %287, ptr %288, align 16, !tbaa !11
  %289 = getelementptr inbounds [4 x double], ptr %16, i64 0, i64 3
  %290 = load double, ptr %289, align 8, !tbaa !11
  %291 = getelementptr inbounds [4 x double], ptr %18, i64 0, i64 3
  %292 = load double, ptr %291, align 8, !tbaa !11
  %293 = fsub double %290, %292
  %294 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 3
  store double %293, ptr %294, align 8, !tbaa !11
  %295 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 1
  %296 = load double, ptr %295, align 8, !tbaa !11
  %297 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 1
  %298 = load double, ptr %297, align 8, !tbaa !11
  %299 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 2
  %300 = load double, ptr %299, align 16, !tbaa !11
  %301 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 2
  %302 = load double, ptr %301, align 16, !tbaa !11
  %303 = fmul double %300, %302
  %304 = call double @llvm.fmuladd.f64(double %296, double %298, double %303)
  %305 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 3
  %306 = load double, ptr %305, align 8, !tbaa !11
  %307 = getelementptr inbounds [4 x double], ptr %20, i64 0, i64 3
  %308 = load double, ptr %307, align 8, !tbaa !11
  %309 = call double @llvm.fmuladd.f64(double %306, double %308, double %304)
  store double %309, ptr %21, align 8, !tbaa !11
  %310 = load double, ptr %21, align 8, !tbaa !11
  %311 = load double, ptr %14, align 8, !tbaa !11
  %312 = fcmp ole double %310, %311
  br i1 %312, label %313, label %360

313:                                              ; preds = %227
  %314 = load ptr, ptr %7, align 8, !tbaa !5
  %315 = call i32 @strcmp(ptr noundef %314, ptr noundef @.str.21) #8
  %316 = icmp eq i32 %315, 0
  br i1 %316, label %317, label %323

317:                                              ; preds = %313
  %318 = load ptr, ptr %5, align 8, !tbaa !5
  %319 = load ptr, ptr %24, align 8, !tbaa !5
  %320 = load double, ptr %22, align 8, !tbaa !11
  %321 = load double, ptr %21, align 8, !tbaa !11
  %322 = call i32 @FindPair(ptr noundef %318, ptr noundef %319, ptr noundef @.str.28, double noundef %320, double noundef %321, ptr noundef %22, ptr noundef %22, ptr noundef %22, ptr noundef %22, ptr noundef %23, ptr noundef null, i32 noundef -1)
  br label %352

323:                                              ; preds = %313
  %324 = load ptr, ptr %7, align 8, !tbaa !5
  %325 = call i32 @strcmp(ptr noundef %324, ptr noundef @.str.22) #8
  %326 = icmp eq i32 %325, 0
  br i1 %326, label %327, label %349

327:                                              ; preds = %323
  %328 = load i32, ptr %10, align 4, !tbaa !9
  %329 = load ptr, ptr %8, align 8, !tbaa !5
  %330 = getelementptr inbounds %struct.AtomListStr, ptr %329, i32 0, i32 7
  %331 = load ptr, ptr %330, align 8, !tbaa !21
  %332 = load i32, ptr %6, align 4, !tbaa !9
  %333 = sext i32 %332 to i64
  %334 = getelementptr inbounds ptr, ptr %331, i64 %333
  %335 = load ptr, ptr %334, align 8, !tbaa !5
  %336 = getelementptr inbounds %struct.AtomStr, ptr %335, i32 0, i32 1
  %337 = load ptr, ptr %336, align 8, !tbaa !18
  %338 = getelementptr inbounds %struct.DynamicStr, ptr %337, i32 0, i32 3
  %339 = getelementptr inbounds %struct.HBStr, ptr %338, i32 0, i32 1
  %340 = load i32, ptr %339, align 4, !tbaa !23
  %341 = icmp ne i32 %328, %340
  br i1 %341, label %342, label %348

342:                                              ; preds = %327
  %343 = load ptr, ptr %5, align 8, !tbaa !5
  %344 = load ptr, ptr %24, align 8, !tbaa !5
  %345 = load double, ptr %22, align 8, !tbaa !11
  %346 = load double, ptr %21, align 8, !tbaa !11
  %347 = call i32 @FindPair(ptr noundef %343, ptr noundef %344, ptr noundef @.str.28, double noundef %345, double noundef %346, ptr noundef %22, ptr noundef %22, ptr noundef %22, ptr noundef %22, ptr noundef %23, ptr noundef null, i32 noundef 1)
  br label %348

348:                                              ; preds = %342, %327
  br label %351

349:                                              ; preds = %323
  %350 = call i32 (ptr, ...) @printf(ptr noundef @.str.29, ptr noundef @.str.1, i32 noundef 1084)
  br label %351

351:                                              ; preds = %349, %348
  br label %352

352:                                              ; preds = %351, %317
  %353 = load double, ptr %23, align 8, !tbaa !11
  %354 = fcmp oeq double %353, 1.000000e+08
  br i1 %354, label %355, label %356

355:                                              ; preds = %352
  store double 0.000000e+00, ptr %23, align 8, !tbaa !11
  br label %356

356:                                              ; preds = %355, %352
  %357 = load double, ptr %23, align 8, !tbaa !11
  %358 = load double, ptr %15, align 8, !tbaa !11
  %359 = fadd double %358, %357
  store double %359, ptr %15, align 8, !tbaa !11
  br label %360

360:                                              ; preds = %356, %227
  br label %361

361:                                              ; preds = %360, %223, %211, %199, %188
  %362 = load ptr, ptr %13, align 8, !tbaa !5
  %363 = load i32, ptr %10, align 4, !tbaa !9
  %364 = sext i32 %363 to i64
  %365 = getelementptr inbounds i32, ptr %362, i64 %364
  %366 = load i32, ptr %365, align 4, !tbaa !9
  store i32 %366, ptr %10, align 4, !tbaa !9
  br label %185, !llvm.loop !29

367:                                              ; preds = %185
  br label %368

368:                                              ; preds = %367
  %369 = load i32, ptr %25, align 4, !tbaa !9
  %370 = add nsw i32 %369, 1
  store i32 %370, ptr %25, align 4, !tbaa !9
  br label %65, !llvm.loop !30

371:                                              ; preds = %68
  %372 = load double, ptr %15, align 8, !tbaa !11
  store i32 1, ptr %26, align 4
  call void @llvm.lifetime.end.p0(i64 8, ptr %24) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %23) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %22) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %21) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %20) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %19) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %18) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %17) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %16) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %15) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %14) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %13) #7
  call void @llvm.lifetime.end.p0(i64 4, ptr %12) #7
  call void @llvm.lifetime.end.p0(i64 16, ptr %11) #7
  call void @llvm.lifetime.end.p0(i64 4, ptr %10) #7
  call void @llvm.lifetime.end.p0(i64 4, ptr %9) #7
  ret double %372
}

declare i32 @FindPair(ptr noundef, ptr noundef, ptr noundef, double noundef, double noundef, ptr noundef, ptr noundef, ptr noundef, ptr noundef, ptr noundef, ptr noundef, i32 noundef) #1

declare void @PBCShift(ptr noundef, ptr noundef, ptr noundef) #1

attributes #0 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { "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(none) }
attributes #3 = { nounwind willreturn memory(read) "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 = { nocallback nofree nounwind willreturn memory(argmem: write) }
attributes #5 = { nocallback nofree nosync nounwind speculatable willreturn memory(none) }
attributes #6 = { 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 #7 = { nounwind }
attributes #8 = { nounwind willreturn memory(read) }

!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, !12, i64 0}
!12 = !{!"double", !7, i64 0}
!13 = !{!14, !6, i64 0}
!14 = !{!"AtomStr", !6, i64 0, !6, i64 8}
!15 = !{!16, !10, i64 48}
!16 = !{!"PropertyStr", !7, i64 0, !7, i64 8, !7, i64 40, !10, i64 48, !10, i64 52, !10, i64 56, !12, i64 64, !12, i64 72, !7, i64 80, !17, i64 104, !6, i64 120, !6, i64 128}
!17 = !{!"AtomSeqStr", !10, i64 0, !10, i64 4, !10, i64 8}
!18 = !{!14, !6, i64 8}
!19 = distinct !{!19, !20}
!20 = !{!"llvm.loop.mustprogress"}
!21 = !{!22, !6, i64 352}
!22 = !{!"AtomListStr", !10, i64 0, !7, i64 4, !7, i64 112, !7, i64 220, !12, i64 328, !6, i64 336, !6, i64 344, !6, i64 352}
!23 = !{!24, !10, i64 84}
!24 = !{!"DynamicStr", !7, i64 0, !7, i64 16, !7, i64 48, !25, i64 80, !26, i64 96, !27, i64 128}
!25 = !{!"HBStr", !10, i64 0, !10, i64 4, !7, i64 8, !10, i64 12}
!26 = !{!"HBNeighborStr", !7, i64 0, !10, i64 20, !10, i64 24}
!27 = !{!"InteractionEventStr", !10, i64 0, !28, i64 8, !28, i64 16, !12, i64 24, !12, i64 32, !10, i64 40, !10, i64 44}
!28 = !{!"long", !7, i64 0}
!29 = distinct !{!29, !20}
!30 = distinct !{!30, !20}


; 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.1 = external hidden unnamed_addr constant [63 x i8], align 1
@atomnum = external local_unnamed_addr global i32, align 4
@cellnum = external local_unnamed_addr global [4 x i32], align 16
@celllist = external local_unnamed_addr global ptr, align 8
@connectionMap = external local_unnamed_addr global ptr, align 8
@.str.21 = external hidden unnamed_addr constant [7 x i8], align 1
@.str.22 = external hidden unnamed_addr constant [4 x i8], align 1
@cutoffr = external local_unnamed_addr global double, align 8
@.str.28 = external hidden unnamed_addr constant [10 x i8], align 1
@.str.29 = external hidden unnamed_addr constant [35 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: nofree nounwind
declare noundef i32 @printf(ptr nocapture noundef readonly, ...) local_unnamed_addr #1

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

; Function Attrs: mustprogress nofree nounwind willreturn memory(argmem: read)
declare i32 @strcmp(ptr nocapture noundef, ptr nocapture noundef) local_unnamed_addr #2

; Function Attrs: mustprogress nocallback nofree nounwind willreturn memory(argmem: write)
declare void @llvm.memset.p0.i64(ptr nocapture writeonly, i8, i64, i1 immarg) #3

; Function Attrs: mustprogress nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare double @llvm.fmuladd.f64(double, double, double) #4

; Function Attrs: nounwind uwtable
define dso_local double @HBEnergyChange(ptr noundef %0, i32 noundef %1, ptr nocapture noundef readonly %2, ptr nocapture noundef readonly %3) local_unnamed_addr #5 {
  %5 = alloca [4 x double], align 16
  %6 = alloca double, align 8
  %7 = alloca double, align 8
  %8 = load ptr, ptr @celllist, align 8, !tbaa !5
  %9 = load double, ptr @cutoffr, align 8, !tbaa !9
  %10 = fmul double %9, %9
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %5) #7
  call void @llvm.memset.p0.i64(ptr noundef nonnull align 16 dereferenceable(32) %5, i8 0, i64 32, i1 false)
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %6) #7
  store double 0.000000e+00, ptr %6, align 8, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 8, ptr nonnull %7) #7
  store double 0.000000e+00, ptr %7, align 8, !tbaa !9
  %11 = load ptr, ptr %0, align 8, !tbaa !11
  %12 = getelementptr inbounds i8, ptr %11, i64 48
  %13 = load i32, ptr %12, align 8, !tbaa !13
  %14 = getelementptr inbounds i8, ptr %0, i64 8
  %15 = load ptr, ptr %14, align 8, !tbaa !17
  %16 = getelementptr inbounds i8, ptr %15, i64 24
  %17 = load double, ptr %16, align 8, !tbaa !9
  %18 = getelementptr inbounds i8, ptr %15, i64 32
  %19 = load double, ptr %18, align 8, !tbaa !9
  %20 = getelementptr inbounds i8, ptr %15, i64 40
  %21 = load double, ptr %20, align 8, !tbaa !9
  %22 = getelementptr inbounds i8, ptr %3, i64 220
  %23 = getelementptr inbounds i8, ptr %3, i64 112
  %24 = getelementptr inbounds i8, ptr %3, i64 4
  %25 = getelementptr inbounds i8, ptr %3, i64 352
  %26 = sext i32 %13 to i64
  %27 = getelementptr inbounds i8, ptr %5, i64 8
  %28 = getelementptr inbounds i8, ptr %5, i64 16
  %29 = getelementptr inbounds i8, ptr %5, i64 24
  %30 = sext i32 %1 to i64
  br label %32

31:                                               ; preds = %._crit_edge
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %7) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr nonnull %6) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %5) #7
  ret double %.1.lcssa

32:                                               ; preds = %4, %._crit_edge
  %indvars.iv = phi i64 [ 0, %4 ], [ %indvars.iv.next, %._crit_edge ]
  %.07290 = phi double [ 0.000000e+00, %4 ], [ %.1.lcssa, %._crit_edge ]
  %33 = load ptr, ptr %14, align 8, !tbaa !17
  %34 = getelementptr inbounds i8, ptr %33, i64 12
  %35 = load i32, ptr %34, align 4, !tbaa !18
  %36 = getelementptr inbounds [27 x i32], ptr %22, i64 0, i64 %indvars.iv
  %37 = load i32, ptr %36, align 4, !tbaa !18
  %38 = add nsw i32 %37, %35
  %39 = getelementptr inbounds i8, ptr %33, i64 8
  %40 = load i32, ptr %39, align 8, !tbaa !18
  %41 = getelementptr inbounds [27 x i32], ptr %23, i64 0, i64 %indvars.iv
  %42 = load i32, ptr %41, align 4, !tbaa !18
  %43 = add nsw i32 %42, %40
  %44 = getelementptr inbounds i8, ptr %33, i64 4
  %45 = load i32, ptr %44, align 4, !tbaa !18
  %46 = getelementptr inbounds [27 x i32], ptr %24, i64 0, i64 %indvars.iv
  %47 = load i32, ptr %46, align 4, !tbaa !18
  %48 = add nsw i32 %47, %45
  %49 = icmp slt i32 %48, 0
  %50 = load i32, ptr getelementptr inbounds (i8, ptr @cellnum, i64 4), align 4, !tbaa !18
  br i1 %49, label %51, label %53, !prof !19

51:                                               ; preds = %32
  %52 = add nsw i32 %50, -1
  br label %55

53:                                               ; preds = %32
  %.not82 = icmp slt i32 %48, %50
  br i1 %.not82, label %55, label %54, !prof !20

54:                                               ; preds = %53
  br label %55

55:                                               ; preds = %51, %54, %53
  %.sroa.2.0 = phi i32 [ %52, %51 ], [ %48, %53 ], [ 0, %54 ]
  %56 = icmp slt i32 %43, 0
  %57 = load i32, ptr getelementptr inbounds (i8, ptr @cellnum, i64 8), align 8, !tbaa !18
  br i1 %56, label %60, label %58, !prof !19

58:                                               ; preds = %55
  %.not82.1 = icmp slt i32 %43, %57
  br i1 %.not82.1, label %62, label %59, !prof !20

59:                                               ; preds = %58
  br label %62

60:                                               ; preds = %55
  %61 = add nsw i32 %57, -1
  br label %62

62:                                               ; preds = %60, %59, %58
  %.sroa.7.0 = phi i32 [ %61, %60 ], [ %43, %58 ], [ 0, %59 ]
  %63 = icmp slt i32 %38, 0
  %64 = load i32, ptr getelementptr inbounds (i8, ptr @cellnum, i64 12), align 4, !tbaa !18
  br i1 %63, label %67, label %65, !prof !19

65:                                               ; preds = %62
  %.not82.2 = icmp slt i32 %38, %64
  br i1 %.not82.2, label %69, label %66, !prof !20

66:                                               ; preds = %65
  br label %69

67:                                               ; preds = %62
  %68 = add nsw i32 %64, -1
  br label %69

69:                                               ; preds = %67, %66, %65
  %.sroa.12.0 = phi i32 [ %68, %67 ], [ %38, %65 ], [ 0, %66 ]
  %70 = mul i32 %57, %.sroa.12.0
  %71 = load i32, ptr @atomnum, align 4, !tbaa !18
  %reass.add = add i32 %.sroa.7.0, %70
  %reass.mul = mul i32 %reass.add, %50
  %72 = add nsw i32 %.sroa.2.0, 1
  %73 = add i32 %72, %71
  %74 = add i32 %73, %reass.mul
  %75 = sext i32 %74 to i64
  %.071.in85 = getelementptr inbounds i32, ptr %8, i64 %75
  %.07186 = load i32, ptr %.071.in85, align 4, !tbaa !18
  %.not87 = icmp eq i32 %.07186, 0
  br i1 %.not87, label %._crit_edge, label %.lr.ph

.lr.ph:                                           ; preds = %69, %138
  %.07189 = phi i32 [ %.071, %138 ], [ %.07186, %69 ]
  %.188 = phi double [ %.2, %138 ], [ %.07290, %69 ]
  %76 = load ptr, ptr %25, align 8, !tbaa !21
  %77 = sext i32 %.07189 to i64
  %78 = getelementptr inbounds ptr, ptr %76, i64 %77
  %79 = load ptr, ptr %78, align 8, !tbaa !5
  %.not77 = icmp eq i32 %13, %.07189
  br i1 %.not77, label %138, label %80

80:                                               ; preds = %.lr.ph
  %81 = load ptr, ptr @connectionMap, align 8, !tbaa !5
  %82 = getelementptr inbounds ptr, ptr %81, i64 %26
  %83 = load ptr, ptr %82, align 8, !tbaa !5
  %84 = getelementptr inbounds i32, ptr %83, i64 %77
  %85 = load i32, ptr %84, align 4, !tbaa !18
  %86 = and i32 %85, 3
  %or.cond = icmp ne i32 %86, 0
  %.not80 = icmp eq i32 %.07189, %1
  %or.cond83 = or i1 %.not80, %or.cond
  br i1 %or.cond83, label %138, label %87

87:                                               ; preds = %80
  %88 = getelementptr inbounds i8, ptr %79, i64 8
  %89 = load ptr, ptr %88, align 8, !tbaa !17
  %90 = getelementptr inbounds i8, ptr %89, i64 24
  %91 = load double, ptr %90, align 8, !tbaa !9
  %92 = getelementptr inbounds i8, ptr %89, i64 32
  %93 = load double, ptr %92, align 8, !tbaa !9
  %94 = getelementptr inbounds i8, ptr %89, i64 40
  %95 = load double, ptr %94, align 8, !tbaa !9
  call void @PBCShift(ptr noundef nonnull %0, ptr noundef %79, ptr noundef nonnull %5) #7
  %96 = load double, ptr %27, align 8, !tbaa !9
  %97 = fadd double %91, %96
  %98 = load double, ptr %28, align 16, !tbaa !9
  %99 = fadd double %93, %98
  %100 = load double, ptr %29, align 8, !tbaa !9
  %101 = fadd double %95, %100
  %102 = fsub double %17, %97
  %103 = fsub double %19, %99
  %104 = fsub double %21, %101
  %105 = fmul double %103, %103
  %106 = call double @llvm.fmuladd.f64(double %102, double %102, double %105)
  %107 = call double @llvm.fmuladd.f64(double %104, double %104, double %106)
  %108 = fcmp ugt double %107, %10
  br i1 %108, label %138, label %109

109:                                              ; preds = %87
  %110 = call i32 @strcmp(ptr noundef nonnull dereferenceable(1) %2, ptr noundef nonnull dereferenceable(1) @.str.21) #8
  %111 = icmp eq i32 %110, 0
  br i1 %111, label %112, label %115

112:                                              ; preds = %109
  %113 = load double, ptr %6, align 8, !tbaa !9
  %114 = call i32 @FindPair(ptr noundef nonnull %0, ptr noundef nonnull %79, ptr noundef nonnull @.str.28, double noundef %113, double noundef %107, ptr noundef nonnull %6, ptr noundef nonnull %6, ptr noundef nonnull %6, ptr noundef nonnull %6, ptr noundef nonnull %7, ptr noundef null, i32 noundef -1) #7
  br label %131

115:                                              ; preds = %109
  %116 = call i32 @strcmp(ptr noundef nonnull dereferenceable(1) %2, ptr noundef nonnull dereferenceable(1) @.str.22) #8
  %117 = icmp eq i32 %116, 0
  br i1 %117, label %118, label %129

118:                                              ; preds = %115
  %119 = load ptr, ptr %25, align 8, !tbaa !21
  %120 = getelementptr inbounds ptr, ptr %119, i64 %30
  %121 = load ptr, ptr %120, align 8, !tbaa !5
  %122 = getelementptr inbounds i8, ptr %121, i64 8
  %123 = load ptr, ptr %122, align 8, !tbaa !17
  %124 = getelementptr inbounds i8, ptr %123, i64 84
  %125 = load i32, ptr %124, align 4, !tbaa !23
  %.not81 = icmp eq i32 %.07189, %125
  br i1 %.not81, label %131, label %126

126:                                              ; preds = %118
  %127 = load double, ptr %6, align 8, !tbaa !9
  %128 = call i32 @FindPair(ptr noundef nonnull %0, ptr noundef nonnull %79, ptr noundef nonnull @.str.28, double noundef %127, double noundef %107, ptr noundef nonnull %6, ptr noundef nonnull %6, ptr noundef nonnull %6, ptr noundef nonnull %6, ptr noundef nonnull %7, ptr noundef null, i32 noundef 1) #7
  br label %131

129:                                              ; preds = %115
  %130 = call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.29, ptr noundef nonnull @.str.1, i32 noundef 1084)
  br label %131

131:                                              ; preds = %129, %126, %118, %112
  %132 = load double, ptr %7, align 8, !tbaa !9
  %133 = fcmp oeq double %132, 1.000000e+08
  br i1 %133, label %134, label %135

134:                                              ; preds = %131
  store double 0.000000e+00, ptr %7, align 8, !tbaa !9
  br label %135

135:                                              ; preds = %134, %131
  %136 = phi double [ 0.000000e+00, %134 ], [ %132, %131 ]
  %137 = fadd double %.188, %136
  br label %138

138:                                              ; preds = %87, %135, %80, %.lr.ph
  %.2 = phi double [ %.188, %80 ], [ %137, %135 ], [ %.188, %87 ], [ %.188, %.lr.ph ]
  %.071.in = getelementptr inbounds i32, ptr %8, i64 %77
  %.071 = load i32, ptr %.071.in, align 4, !tbaa !18
  %.not = icmp eq i32 %.071, 0
  br i1 %.not, label %._crit_edge, label %.lr.ph, !llvm.loop !29

._crit_edge:                                      ; preds = %138, %69
  %.1.lcssa = phi double [ %.07290, %69 ], [ %.2, %138 ]
  %indvars.iv.next = add nuw nsw i64 %indvars.iv, 1
  %exitcond.not = icmp eq i64 %indvars.iv.next, 27
  br i1 %exitcond.not, label %31, label %32, !llvm.loop !31
}

declare i32 @FindPair(ptr noundef, ptr noundef, ptr noundef, double noundef, double noundef, ptr noundef, ptr noundef, ptr noundef, ptr noundef, ptr noundef, ptr noundef, i32 noundef) local_unnamed_addr #6

declare void @PBCShift(ptr noundef, ptr noundef, ptr noundef) local_unnamed_addr #6

attributes #0 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { 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 #2 = { mustprogress nofree nounwind willreturn memory(argmem: read) "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 = { mustprogress nocallback nofree nounwind willreturn memory(argmem: write) }
attributes #4 = { mustprogress nocallback nofree nosync nounwind speculatable willreturn memory(none) }
attributes #5 = { 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 #6 = { "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 #7 = { nounwind }
attributes #8 = { nounwind willreturn memory(read) }

!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 = !{!"double", !7, i64 0}
!11 = !{!12, !6, i64 0}
!12 = !{!"AtomStr", !6, i64 0, !6, i64 8}
!13 = !{!14, !15, i64 48}
!14 = !{!"PropertyStr", !7, i64 0, !7, i64 8, !7, i64 40, !15, i64 48, !15, i64 52, !15, i64 56, !10, i64 64, !10, i64 72, !7, i64 80, !16, i64 104, !6, i64 120, !6, i64 128}
!15 = !{!"int", !7, i64 0}
!16 = !{!"AtomSeqStr", !15, i64 0, !15, i64 4, !15, i64 8}
!17 = !{!12, !6, i64 8}
!18 = !{!15, !15, i64 0}
!19 = !{!"branch_weights", !"expected", i32 1, i32 2000}
!20 = !{!"branch_weights", !"expected", i32 2000, i32 1}
!21 = !{!22, !6, i64 352}
!22 = !{!"AtomListStr", !15, i64 0, !7, i64 4, !7, i64 112, !7, i64 220, !10, i64 328, !6, i64 336, !6, i64 344, !6, i64 352}
!23 = !{!24, !15, i64 84}
!24 = !{!"DynamicStr", !7, i64 0, !7, i64 16, !7, i64 48, !25, i64 80, !26, i64 96, !27, i64 128}
!25 = !{!"HBStr", !15, i64 0, !15, i64 4, !7, i64 8, !15, i64 12}
!26 = !{!"HBNeighborStr", !7, i64 0, !15, i64 20, !15, i64 24}
!27 = !{!"InteractionEventStr", !15, i64 0, !28, i64 8, !28, i64 16, !10, i64 24, !10, i64 32, !15, i64 40, !15, i64 44}
!28 = !{!"long", !7, i64 0}
!29 = distinct !{!29, !30}
!30 = !{!"llvm.loop.mustprogress"}
!31 = distinct !{!31, !30}


; Effective O3 passes: CorrelatedValuePropagationPass,EarlyCSEPass,GVNPass,GlobalOptPass,IPSCCPPass,IndVarSimplifyPass,InferAlignmentPass,InferFunctionAttrsPass,InstCombinePass,InstSimplifyPass,JumpThreadingPass,LCSSAPass,LICMPass,LoopRotatePass,LoopSimplifyPass,LoopUnrollPass,LowerExpectIntrinsicPass,PostOrderFunctionAttrsPass,ReassociatePass,SROAPass,SimplifyCFGPass