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

; 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.ConstraintStr = type { i32, double, ptr, double, ptr }
%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.StepPotenStr = type { double, double, double, ptr }

@.str.2 = external hidden unnamed_addr constant [71 x i8], align 1
@.str.98 = external hidden unnamed_addr constant [7 x i8], align 1
@potentialPairHB = external global [12 x [33 x [33 x %struct.ConstraintStr]]], align 16
@.str.257 = external hidden unnamed_addr constant [3 x i8], align 1
@.str.258 = external hidden unnamed_addr constant [9 x i8], align 1
@.str.261 = external hidden unnamed_addr constant [105 x i8], align 1
@.str.262 = external hidden unnamed_addr constant [66 x i8], align 1
@.str.263 = external hidden unnamed_addr constant [39 x i8], align 1
@.str.264 = external hidden unnamed_addr constant [131 x i8], align 1
@.str.265 = external hidden unnamed_addr constant [52 x i8], align 1
@.str.266 = external hidden unnamed_addr constant [85 x i8], align 1
@.str.267 = external hidden unnamed_addr constant [131 x i8], align 1
@.str.268 = external hidden unnamed_addr constant [52 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 willreturn memory(read)
declare i32 @strcmp(ptr noundef, ptr noundef) #1

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

; Function Attrs: noreturn nounwind
declare void @exit(i32 noundef) #3

; 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 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 i32 @CheckPreBondAvailability(ptr noundef %0, ptr noundef %1, ptr noundef %2, ptr noundef %3) #6 {
  %5 = alloca i32, align 4
  %6 = alloca ptr, align 8
  %7 = alloca ptr, align 8
  %8 = alloca ptr, align 8
  %9 = alloca ptr, align 8
  %10 = alloca i32, align 4
  %11 = alloca i32, align 4
  %12 = alloca i32, align 4
  %13 = alloca i32, align 4
  %14 = alloca [4 x double], align 16
  %15 = alloca double, align 8
  %16 = alloca ptr, align 8
  %17 = alloca i32, align 4
  %18 = alloca i32, align 4
  %19 = alloca ptr, align 8
  %20 = alloca ptr, align 8
  store ptr %0, ptr %6, align 8, !tbaa !5
  store ptr %1, ptr %7, align 8, !tbaa !5
  store ptr %2, ptr %8, align 8, !tbaa !5
  store ptr %3, ptr %9, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %10) #8
  store i32 0, ptr %10, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 4, ptr %11) #8
  store i32 0, ptr %11, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 4, ptr %12) #8
  %21 = load ptr, ptr %6, align 8, !tbaa !5
  %22 = getelementptr inbounds %struct.AtomStr, ptr %21, i32 0, i32 0
  %23 = load ptr, ptr %22, align 8, !tbaa !11
  %24 = getelementptr inbounds %struct.PropertyStr, ptr %23, i32 0, i32 3
  %25 = load i32, ptr %24, align 8, !tbaa !13
  store i32 %25, ptr %12, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 4, ptr %13) #8
  %26 = load ptr, ptr %7, align 8, !tbaa !5
  %27 = getelementptr inbounds %struct.AtomStr, ptr %26, i32 0, i32 0
  %28 = load ptr, ptr %27, align 8, !tbaa !11
  %29 = getelementptr inbounds %struct.PropertyStr, ptr %28, i32 0, i32 3
  %30 = load i32, ptr %29, align 8, !tbaa !13
  store i32 %30, ptr %13, align 4, !tbaa !9
  call void @llvm.lifetime.start.p0(i64 32, ptr %14) #8
  call void @llvm.memset.p0.i64(ptr align 16 %14, i8 0, i64 32, i1 false)
  call void @llvm.lifetime.start.p0(i64 8, ptr %15) #8
  call void @llvm.lifetime.start.p0(i64 8, ptr %16) #8
  store ptr null, ptr %16, align 8, !tbaa !5
  %31 = load ptr, ptr %9, align 8, !tbaa !5
  %32 = call i32 @strcmp(ptr noundef %31, ptr noundef @.str.257) #9
  %33 = icmp eq i32 %32, 0
  br i1 %33, label %34, label %112

34:                                               ; preds = %4
  %35 = load ptr, ptr %6, align 8, !tbaa !5
  %36 = getelementptr inbounds %struct.AtomStr, ptr %35, i32 0, i32 1
  %37 = load ptr, ptr %36, align 8, !tbaa !17
  %38 = getelementptr inbounds %struct.DynamicStr, ptr %37, i32 0, i32 3
  %39 = getelementptr inbounds %struct.HBStr, ptr %38, i32 0, i32 2
  %40 = load i8, ptr %39, align 8, !tbaa !18
  %41 = sext i8 %40 to i32
  %42 = icmp ne i32 %41, 65
  br i1 %42, label %43, label %68

43:                                               ; preds = %34
  %44 = load ptr, ptr %6, align 8, !tbaa !5
  %45 = getelementptr inbounds %struct.AtomStr, ptr %44, i32 0, i32 1
  %46 = load ptr, ptr %45, align 8, !tbaa !17
  %47 = getelementptr inbounds %struct.DynamicStr, ptr %46, i32 0, i32 3
  %48 = getelementptr inbounds %struct.HBStr, ptr %47, i32 0, i32 2
  %49 = load i8, ptr %48, align 8, !tbaa !18
  %50 = sext i8 %49 to i32
  %51 = icmp ne i32 %50, 68
  br i1 %51, label %52, label %68

52:                                               ; preds = %43
  %53 = load ptr, ptr %6, align 8, !tbaa !5
  %54 = getelementptr inbounds %struct.AtomStr, ptr %53, i32 0, i32 1
  %55 = load ptr, ptr %54, align 8, !tbaa !17
  %56 = getelementptr inbounds %struct.DynamicStr, ptr %55, i32 0, i32 3
  %57 = getelementptr inbounds %struct.HBStr, ptr %56, i32 0, i32 2
  %58 = load i8, ptr %57, align 8, !tbaa !18
  %59 = sext i8 %58 to i32
  %60 = icmp ne i32 %59, 83
  br i1 %60, label %61, label %68

61:                                               ; preds = %52
  %62 = load i32, ptr %12, align 4, !tbaa !9
  %63 = load i32, ptr %12, align 4, !tbaa !9
  %64 = load i32, ptr %13, align 4, !tbaa !9
  %65 = call i32 (ptr, ...) @printf(ptr noundef @.str.261, i32 noundef %62, i32 noundef %63, i32 noundef %64)
  %66 = call i32 (ptr, ...) @printf(ptr noundef @.str.262)
  %67 = call i32 (ptr, ...) @printf(ptr noundef @.str.98, ptr noundef @.str.2, i32 noundef 2266)
  call void @exit(i32 noundef 1) #10
  unreachable

68:                                               ; preds = %52, %43, %34
  %69 = load ptr, ptr %7, align 8, !tbaa !5
  %70 = getelementptr inbounds %struct.AtomStr, ptr %69, i32 0, i32 1
  %71 = load ptr, ptr %70, align 8, !tbaa !17
  %72 = getelementptr inbounds %struct.DynamicStr, ptr %71, i32 0, i32 3
  %73 = getelementptr inbounds %struct.HBStr, ptr %72, i32 0, i32 2
  %74 = load i8, ptr %73, align 8, !tbaa !18
  %75 = sext i8 %74 to i32
  %76 = icmp ne i32 %75, 65
  br i1 %76, label %77, label %102

77:                                               ; preds = %68
  %78 = load ptr, ptr %7, align 8, !tbaa !5
  %79 = getelementptr inbounds %struct.AtomStr, ptr %78, i32 0, i32 1
  %80 = load ptr, ptr %79, align 8, !tbaa !17
  %81 = getelementptr inbounds %struct.DynamicStr, ptr %80, i32 0, i32 3
  %82 = getelementptr inbounds %struct.HBStr, ptr %81, i32 0, i32 2
  %83 = load i8, ptr %82, align 8, !tbaa !18
  %84 = sext i8 %83 to i32
  %85 = icmp ne i32 %84, 68
  br i1 %85, label %86, label %102

86:                                               ; preds = %77
  %87 = load ptr, ptr %7, align 8, !tbaa !5
  %88 = getelementptr inbounds %struct.AtomStr, ptr %87, i32 0, i32 1
  %89 = load ptr, ptr %88, align 8, !tbaa !17
  %90 = getelementptr inbounds %struct.DynamicStr, ptr %89, i32 0, i32 3
  %91 = getelementptr inbounds %struct.HBStr, ptr %90, i32 0, i32 2
  %92 = load i8, ptr %91, align 8, !tbaa !18
  %93 = sext i8 %92 to i32
  %94 = icmp ne i32 %93, 83
  br i1 %94, label %95, label %102

95:                                               ; preds = %86
  %96 = load i32, ptr %13, align 4, !tbaa !9
  %97 = load i32, ptr %12, align 4, !tbaa !9
  %98 = load i32, ptr %13, align 4, !tbaa !9
  %99 = call i32 (ptr, ...) @printf(ptr noundef @.str.261, i32 noundef %96, i32 noundef %97, i32 noundef %98)
  %100 = call i32 (ptr, ...) @printf(ptr noundef @.str.262)
  %101 = call i32 (ptr, ...) @printf(ptr noundef @.str.98, ptr noundef @.str.2, i32 noundef 2273)
  call void @exit(i32 noundef 1) #10
  unreachable

102:                                              ; preds = %86, %77, %68
  br label %103

103:                                              ; preds = %102
  %104 = load ptr, ptr %6, align 8, !tbaa !5
  %105 = load ptr, ptr %7, align 8, !tbaa !5
  %106 = call i32 @HBModel(ptr noundef %104, ptr noundef %105)
  store i32 %106, ptr %10, align 4, !tbaa !9
  %107 = load i32, ptr %10, align 4, !tbaa !9
  %108 = sext i32 %107 to i64
  %109 = getelementptr inbounds [12 x [33 x [33 x %struct.ConstraintStr]]], ptr @potentialPairHB, i64 0, i64 %108
  %110 = getelementptr inbounds [33 x [33 x %struct.ConstraintStr]], ptr %109, i64 0, i64 0
  %111 = getelementptr inbounds [33 x %struct.ConstraintStr], ptr %110, i64 0, i64 0
  store ptr %111, ptr %16, align 8, !tbaa !5
  br label %145

112:                                              ; preds = %4
  %113 = load ptr, ptr %9, align 8, !tbaa !5
  %114 = call i32 @strcmp(ptr noundef %113, ptr noundef @.str.258) #9
  %115 = icmp eq i32 %114, 0
  br i1 %115, label %116, label %141

116:                                              ; preds = %112
  call void @llvm.lifetime.start.p0(i64 4, ptr %17) #8
  %117 = load ptr, ptr %7, align 8, !tbaa !5
  %118 = load ptr, ptr %8, align 8, !tbaa !5
  %119 = call i32 @HBModel(ptr noundef %117, ptr noundef %118)
  store i32 %119, ptr %17, align 4, !tbaa !9
  %120 = load ptr, ptr %6, align 8, !tbaa !5
  %121 = getelementptr inbounds %struct.AtomStr, ptr %120, i32 0, i32 0
  %122 = load ptr, ptr %121, align 8, !tbaa !11
  %123 = getelementptr inbounds %struct.PropertyStr, ptr %122, i32 0, i32 4
  %124 = load i32, ptr %123, align 4, !tbaa !24
  %125 = call i32 @AtomTypeChange(i32 noundef %124, i32 noundef 0)
  store i32 %125, ptr %10, align 4, !tbaa !9
  %126 = load ptr, ptr %7, align 8, !tbaa !5
  %127 = getelementptr inbounds %struct.AtomStr, ptr %126, i32 0, i32 0
  %128 = load ptr, ptr %127, align 8, !tbaa !11
  %129 = getelementptr inbounds %struct.PropertyStr, ptr %128, i32 0, i32 4
  %130 = load i32, ptr %129, align 4, !tbaa !24
  %131 = call i32 @AtomTypeChange(i32 noundef %130, i32 noundef 0)
  store i32 %131, ptr %11, align 4, !tbaa !9
  %132 = load i32, ptr %17, align 4, !tbaa !9
  %133 = sext i32 %132 to i64
  %134 = getelementptr inbounds [12 x [33 x [33 x %struct.ConstraintStr]]], ptr @potentialPairHB, i64 0, i64 %133
  %135 = load i32, ptr %10, align 4, !tbaa !9
  %136 = sext i32 %135 to i64
  %137 = getelementptr inbounds [33 x [33 x %struct.ConstraintStr]], ptr %134, i64 0, i64 %136
  %138 = load i32, ptr %11, align 4, !tbaa !9
  %139 = sext i32 %138 to i64
  %140 = getelementptr inbounds [33 x %struct.ConstraintStr], ptr %137, i64 0, i64 %139
  store ptr %140, ptr %16, align 8, !tbaa !5
  call void @llvm.lifetime.end.p0(i64 4, ptr %17) #8
  br label %144

141:                                              ; preds = %112
  %142 = call i32 (ptr, ...) @printf(ptr noundef @.str.263)
  %143 = call i32 (ptr, ...) @printf(ptr noundef @.str.98, ptr noundef @.str.2, i32 noundef 2290)
  call void @exit(i32 noundef 1) #10
  unreachable

144:                                              ; preds = %116
  br label %145

145:                                              ; preds = %144, %103
  %146 = load ptr, ptr %6, align 8, !tbaa !5
  %147 = getelementptr inbounds %struct.AtomStr, ptr %146, i32 0, i32 1
  %148 = load ptr, ptr %147, align 8, !tbaa !17
  %149 = getelementptr inbounds %struct.DynamicStr, ptr %148, i32 0, i32 1
  %150 = getelementptr inbounds [4 x double], ptr %149, i64 0, i64 1
  %151 = load double, ptr %150, align 8, !tbaa !25
  %152 = load ptr, ptr %7, align 8, !tbaa !5
  %153 = getelementptr inbounds %struct.AtomStr, ptr %152, i32 0, i32 1
  %154 = load ptr, ptr %153, align 8, !tbaa !17
  %155 = getelementptr inbounds %struct.DynamicStr, ptr %154, i32 0, i32 1
  %156 = getelementptr inbounds [4 x double], ptr %155, i64 0, i64 1
  %157 = load double, ptr %156, align 8, !tbaa !25
  %158 = fsub double %151, %157
  %159 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 1
  store double %158, ptr %159, align 8, !tbaa !25
  %160 = load ptr, ptr %6, align 8, !tbaa !5
  %161 = getelementptr inbounds %struct.AtomStr, ptr %160, i32 0, i32 1
  %162 = load ptr, ptr %161, align 8, !tbaa !17
  %163 = getelementptr inbounds %struct.DynamicStr, ptr %162, i32 0, i32 1
  %164 = getelementptr inbounds [4 x double], ptr %163, i64 0, i64 2
  %165 = load double, ptr %164, align 8, !tbaa !25
  %166 = load ptr, ptr %7, align 8, !tbaa !5
  %167 = getelementptr inbounds %struct.AtomStr, ptr %166, i32 0, i32 1
  %168 = load ptr, ptr %167, align 8, !tbaa !17
  %169 = getelementptr inbounds %struct.DynamicStr, ptr %168, i32 0, i32 1
  %170 = getelementptr inbounds [4 x double], ptr %169, i64 0, i64 2
  %171 = load double, ptr %170, align 8, !tbaa !25
  %172 = fsub double %165, %171
  %173 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 2
  store double %172, ptr %173, align 16, !tbaa !25
  %174 = load ptr, ptr %6, align 8, !tbaa !5
  %175 = getelementptr inbounds %struct.AtomStr, ptr %174, i32 0, i32 1
  %176 = load ptr, ptr %175, align 8, !tbaa !17
  %177 = getelementptr inbounds %struct.DynamicStr, ptr %176, i32 0, i32 1
  %178 = getelementptr inbounds [4 x double], ptr %177, i64 0, i64 3
  %179 = load double, ptr %178, align 8, !tbaa !25
  %180 = load ptr, ptr %7, align 8, !tbaa !5
  %181 = getelementptr inbounds %struct.AtomStr, ptr %180, i32 0, i32 1
  %182 = load ptr, ptr %181, align 8, !tbaa !17
  %183 = getelementptr inbounds %struct.DynamicStr, ptr %182, i32 0, i32 1
  %184 = getelementptr inbounds [4 x double], ptr %183, i64 0, i64 3
  %185 = load double, ptr %184, align 8, !tbaa !25
  %186 = fsub double %179, %185
  %187 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 3
  store double %186, ptr %187, align 8, !tbaa !25
  %188 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 1
  %189 = load double, ptr %188, align 8, !tbaa !25
  %190 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 1
  %191 = load double, ptr %190, align 8, !tbaa !25
  %192 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 2
  %193 = load double, ptr %192, align 16, !tbaa !25
  %194 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 2
  %195 = load double, ptr %194, align 16, !tbaa !25
  %196 = fmul double %193, %195
  %197 = call double @llvm.fmuladd.f64(double %189, double %191, double %196)
  %198 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 3
  %199 = load double, ptr %198, align 8, !tbaa !25
  %200 = getelementptr inbounds [4 x double], ptr %14, i64 0, i64 3
  %201 = load double, ptr %200, align 8, !tbaa !25
  %202 = call double @llvm.fmuladd.f64(double %199, double %201, double %197)
  store double %202, ptr %15, align 8, !tbaa !25
  %203 = load double, ptr %15, align 8, !tbaa !25
  %204 = load ptr, ptr %16, align 8, !tbaa !5
  %205 = getelementptr inbounds %struct.ConstraintStr, ptr %204, i32 0, i32 1
  %206 = load double, ptr %205, align 8, !tbaa !26
  %207 = fsub double %206, 1.000000e-08
  %208 = fcmp olt double %203, %207
  br i1 %208, label %209, label %220

209:                                              ; preds = %145
  %210 = load i32, ptr %12, align 4, !tbaa !9
  %211 = load i32, ptr %13, align 4, !tbaa !9
  %212 = call i32 (ptr, ...) @printf(ptr noundef @.str.264, i32 noundef %210, i32 noundef %211)
  %213 = load ptr, ptr %16, align 8, !tbaa !5
  %214 = getelementptr inbounds %struct.ConstraintStr, ptr %213, i32 0, i32 1
  %215 = load double, ptr %214, align 8, !tbaa !26
  %216 = call double @sqrt(double noundef %215) #8
  %217 = load double, ptr %15, align 8, !tbaa !25
  %218 = call double @sqrt(double noundef %217) #8
  %219 = call i32 (ptr, ...) @printf(ptr noundef @.str.265, double noundef %216, double noundef %218)
  store i32 0, ptr %5, align 4
  store i32 1, ptr %18, align 4
  br label %267

220:                                              ; preds = %145
  call void @llvm.lifetime.start.p0(i64 8, ptr %19) #8
  %221 = load ptr, ptr %16, align 8, !tbaa !5
  %222 = getelementptr inbounds %struct.ConstraintStr, ptr %221, i32 0, i32 2
  %223 = load ptr, ptr %222, align 8, !tbaa !28
  store ptr %223, ptr %19, align 8, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 8, ptr %20) #8
  store ptr null, ptr %20, align 8, !tbaa !5
  br label %224

224:                                              ; preds = %234, %220
  %225 = load ptr, ptr %19, align 8, !tbaa !5
  %226 = icmp ne ptr %225, null
  br i1 %226, label %227, label %232

227:                                              ; preds = %224
  %228 = load ptr, ptr %19, align 8, !tbaa !5
  %229 = getelementptr inbounds %struct.StepPotenStr, ptr %228, i32 0, i32 0
  %230 = load double, ptr %229, align 8, !tbaa !29
  %231 = fcmp une double %230, 0.000000e+00
  br label %232

232:                                              ; preds = %227, %224
  %233 = phi i1 [ false, %224 ], [ %231, %227 ]
  br i1 %233, label %234, label %239

234:                                              ; preds = %232
  %235 = load ptr, ptr %19, align 8, !tbaa !5
  store ptr %235, ptr %20, align 8, !tbaa !5
  %236 = load ptr, ptr %19, align 8, !tbaa !5
  %237 = getelementptr inbounds %struct.StepPotenStr, ptr %236, i32 0, i32 3
  %238 = load ptr, ptr %237, align 8, !tbaa !31
  store ptr %238, ptr %19, align 8, !tbaa !5
  br label %224, !llvm.loop !32

239:                                              ; preds = %232
  %240 = load ptr, ptr %20, align 8, !tbaa !5
  %241 = icmp ne ptr %240, null
  br i1 %241, label %247, label %242

242:                                              ; preds = %239
  %243 = load i32, ptr %12, align 4, !tbaa !9
  %244 = load i32, ptr %13, align 4, !tbaa !9
  %245 = call i32 (ptr, ...) @printf(ptr noundef @.str.266, i32 noundef %243, i32 noundef %244)
  %246 = call i32 (ptr, ...) @printf(ptr noundef @.str.98, ptr noundef @.str.2, i32 noundef 2313)
  call void @exit(i32 noundef 1) #10
  unreachable

247:                                              ; preds = %239
  %248 = load double, ptr %15, align 8, !tbaa !25
  %249 = load ptr, ptr %20, align 8, !tbaa !5
  %250 = getelementptr inbounds %struct.StepPotenStr, ptr %249, i32 0, i32 0
  %251 = load double, ptr %250, align 8, !tbaa !29
  %252 = fcmp ogt double %248, %251
  br i1 %252, label %253, label %264

253:                                              ; preds = %247
  %254 = load i32, ptr %12, align 4, !tbaa !9
  %255 = load i32, ptr %13, align 4, !tbaa !9
  %256 = call i32 (ptr, ...) @printf(ptr noundef @.str.267, i32 noundef %254, i32 noundef %255)
  %257 = load ptr, ptr %20, align 8, !tbaa !5
  %258 = getelementptr inbounds %struct.StepPotenStr, ptr %257, i32 0, i32 0
  %259 = load double, ptr %258, align 8, !tbaa !29
  %260 = call double @sqrt(double noundef %259) #8
  %261 = load double, ptr %15, align 8, !tbaa !25
  %262 = call double @sqrt(double noundef %261) #8
  %263 = call i32 (ptr, ...) @printf(ptr noundef @.str.268, double noundef %260, double noundef %262)
  store i32 0, ptr %5, align 4
  store i32 1, ptr %18, align 4
  br label %266

264:                                              ; preds = %247
  br label %265

265:                                              ; preds = %264
  store i32 1, ptr %5, align 4
  store i32 1, ptr %18, align 4
  br label %266

266:                                              ; preds = %265, %253
  call void @llvm.lifetime.end.p0(i64 8, ptr %20) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr %19) #8
  br label %267

267:                                              ; preds = %266, %209
  call void @llvm.lifetime.end.p0(i64 8, ptr %16) #8
  call void @llvm.lifetime.end.p0(i64 8, ptr %15) #8
  call void @llvm.lifetime.end.p0(i64 32, ptr %14) #8
  call void @llvm.lifetime.end.p0(i64 4, ptr %13) #8
  call void @llvm.lifetime.end.p0(i64 4, ptr %12) #8
  call void @llvm.lifetime.end.p0(i64 4, ptr %11) #8
  call void @llvm.lifetime.end.p0(i64 4, ptr %10) #8
  %268 = load i32, ptr %5, align 4
  ret i32 %268
}

declare i32 @AtomTypeChange(i32 noundef, i32 noundef) #2

declare i32 @HBModel(ptr noundef, ptr noundef) #2

; Function Attrs: nounwind
declare double @sqrt(double noundef) #7

attributes #0 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #1 = { 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 #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 = { noreturn 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 = { 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 "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 #8 = { nounwind }
attributes #9 = { nounwind willreturn memory(read) }
attributes #10 = { noreturn 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, !6, i64 0}
!12 = !{!"AtomStr", !6, i64 0, !6, i64 8}
!13 = !{!14, !10, i64 48}
!14 = !{!"PropertyStr", !7, i64 0, !7, i64 8, !7, i64 40, !10, i64 48, !10, i64 52, !10, i64 56, !15, i64 64, !15, i64 72, !7, i64 80, !16, i64 104, !6, i64 120, !6, i64 128}
!15 = !{!"double", !7, i64 0}
!16 = !{!"AtomSeqStr", !10, i64 0, !10, i64 4, !10, i64 8}
!17 = !{!12, !6, i64 8}
!18 = !{!19, !7, i64 88}
!19 = !{!"DynamicStr", !7, i64 0, !7, i64 16, !7, i64 48, !20, i64 80, !21, i64 96, !22, i64 128}
!20 = !{!"HBStr", !10, i64 0, !10, i64 4, !7, i64 8, !10, i64 12}
!21 = !{!"HBNeighborStr", !7, i64 0, !10, i64 20, !10, i64 24}
!22 = !{!"InteractionEventStr", !10, i64 0, !23, i64 8, !23, i64 16, !15, i64 24, !15, i64 32, !10, i64 40, !10, i64 44}
!23 = !{!"long", !7, i64 0}
!24 = !{!14, !10, i64 52}
!25 = !{!15, !15, i64 0}
!26 = !{!27, !15, i64 8}
!27 = !{!"ConstraintStr", !10, i64 0, !15, i64 8, !6, i64 16, !15, i64 24, !6, i64 32}
!28 = !{!27, !6, i64 16}
!29 = !{!30, !15, i64 0}
!30 = !{!"StepPotenStr", !15, i64 0, !15, i64 8, !15, i64 16, !6, i64 24}
!31 = !{!30, !6, i64 24}
!32 = distinct !{!32, !33}
!33 = !{!"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"

%struct.ConstraintStr = type { i32, double, ptr, double, ptr }

@.str.2 = external hidden unnamed_addr constant [71 x i8], align 1
@.str.98 = external hidden unnamed_addr constant [7 x i8], align 1
@potentialPairHB = external local_unnamed_addr global [12 x [33 x [33 x %struct.ConstraintStr]]], align 16
@.str.257 = external hidden unnamed_addr constant [3 x i8], align 1
@.str.258 = external hidden unnamed_addr constant [9 x i8], align 1
@.str.261 = external hidden unnamed_addr constant [105 x i8], align 1
@.str.262 = external hidden unnamed_addr constant [66 x i8], align 1
@.str.263 = external hidden unnamed_addr constant [39 x i8], align 1
@.str.264 = external hidden unnamed_addr constant [131 x i8], align 1
@.str.265 = external hidden unnamed_addr constant [52 x i8], align 1
@.str.266 = external hidden unnamed_addr constant [85 x i8], align 1
@.str.267 = external hidden unnamed_addr constant [131 x i8], align 1
@.str.268 = external hidden unnamed_addr constant [52 x i8], align 1

; Function Attrs: mustprogress nofree nounwind willreturn memory(argmem: read)
declare i32 @strcmp(ptr nocapture noundef, ptr nocapture noundef) local_unnamed_addr #0

; Function Attrs: nofree nounwind
declare noundef i32 @printf(ptr nocapture noundef readonly, ...) local_unnamed_addr #1

; Function Attrs: noreturn nounwind
declare void @exit(i32 noundef) local_unnamed_addr #2

; Function Attrs: mustprogress nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare double @llvm.fmuladd.f64(double, double, double) #3

; Function Attrs: nounwind uwtable
define dso_local range(i32 0, 2) i32 @CheckPreBondAvailability(ptr noundef %0, ptr noundef %1, ptr noundef %2, ptr nocapture noundef readonly %3) local_unnamed_addr #4 {
  %5 = load ptr, ptr %0, align 8, !tbaa !5
  %6 = getelementptr inbounds i8, ptr %5, i64 48
  %7 = load i32, ptr %6, align 8, !tbaa !10
  %8 = load ptr, ptr %1, align 8, !tbaa !5
  %9 = getelementptr inbounds i8, ptr %8, i64 48
  %10 = load i32, ptr %9, align 8, !tbaa !10
  %11 = tail call i32 @strcmp(ptr noundef nonnull dereferenceable(1) %3, ptr noundef nonnull dereferenceable(1) @.str.257) #8
  %12 = icmp eq i32 %11, 0
  br i1 %12, label %13, label %35

13:                                               ; preds = %4
  %14 = getelementptr inbounds i8, ptr %0, i64 8
  %15 = load ptr, ptr %14, align 8, !tbaa !15
  %16 = getelementptr inbounds i8, ptr %15, i64 88
  %17 = load i8, ptr %16, align 8, !tbaa !16
  switch i8 %17, label %18 [
    i8 65, label %22
    i8 68, label %22
    i8 83, label %22
  ]

18:                                               ; preds = %13
  %19 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.261, i32 noundef %7, i32 noundef %7, i32 noundef %10)
  %20 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.262)
  %21 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.98, ptr noundef nonnull @.str.2, i32 noundef 2266)
  tail call void @exit(i32 noundef 1) #9
  unreachable

22:                                               ; preds = %13, %13, %13
  %23 = getelementptr inbounds i8, ptr %1, i64 8
  %24 = load ptr, ptr %23, align 8, !tbaa !15
  %25 = getelementptr inbounds i8, ptr %24, i64 88
  %26 = load i8, ptr %25, align 8, !tbaa !16
  switch i8 %26, label %27 [
    i8 65, label %31
    i8 68, label %31
    i8 83, label %31
  ]

27:                                               ; preds = %22
  %28 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.261, i32 noundef %10, i32 noundef %7, i32 noundef %10)
  %29 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.262)
  %30 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.98, ptr noundef nonnull @.str.2, i32 noundef 2273)
  tail call void @exit(i32 noundef 1) #9
  unreachable

31:                                               ; preds = %22, %22, %22
  %32 = tail call i32 @HBModel(ptr noundef nonnull %0, ptr noundef nonnull %1) #10
  %33 = sext i32 %32 to i64
  %34 = getelementptr inbounds [12 x [33 x [33 x %struct.ConstraintStr]]], ptr @potentialPairHB, i64 0, i64 %33
  br label %55

35:                                               ; preds = %4
  %36 = tail call i32 @strcmp(ptr noundef nonnull dereferenceable(1) %3, ptr noundef nonnull dereferenceable(1) @.str.258) #8
  %37 = icmp eq i32 %36, 0
  br i1 %37, label %38, label %52

38:                                               ; preds = %35
  %39 = tail call i32 @HBModel(ptr noundef nonnull %1, ptr noundef %2) #10
  %40 = load ptr, ptr %0, align 8, !tbaa !5
  %41 = getelementptr inbounds i8, ptr %40, i64 52
  %42 = load i32, ptr %41, align 4, !tbaa !22
  %43 = tail call i32 @AtomTypeChange(i32 noundef %42, i32 noundef 0) #10
  %44 = load ptr, ptr %1, align 8, !tbaa !5
  %45 = getelementptr inbounds i8, ptr %44, i64 52
  %46 = load i32, ptr %45, align 4, !tbaa !22
  %47 = tail call i32 @AtomTypeChange(i32 noundef %46, i32 noundef 0) #10
  %48 = sext i32 %39 to i64
  %49 = sext i32 %43 to i64
  %50 = sext i32 %47 to i64
  %51 = getelementptr inbounds [12 x [33 x [33 x %struct.ConstraintStr]]], ptr @potentialPairHB, i64 0, i64 %48, i64 %49, i64 %50
  br label %55

52:                                               ; preds = %35
  %53 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.263)
  %54 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.98, ptr noundef nonnull @.str.2, i32 noundef 2290)
  tail call void @exit(i32 noundef 1) #9
  unreachable

55:                                               ; preds = %38, %31
  %.057 = phi ptr [ %34, %31 ], [ %51, %38 ]
  %56 = getelementptr inbounds i8, ptr %0, i64 8
  %57 = load ptr, ptr %56, align 8, !tbaa !15
  %58 = getelementptr inbounds i8, ptr %57, i64 24
  %59 = load double, ptr %58, align 8, !tbaa !23
  %60 = getelementptr inbounds i8, ptr %1, i64 8
  %61 = load ptr, ptr %60, align 8, !tbaa !15
  %62 = getelementptr inbounds i8, ptr %61, i64 24
  %63 = load double, ptr %62, align 8, !tbaa !23
  %64 = fsub double %59, %63
  %65 = getelementptr inbounds i8, ptr %57, i64 32
  %66 = load double, ptr %65, align 8, !tbaa !23
  %67 = getelementptr inbounds i8, ptr %61, i64 32
  %68 = load double, ptr %67, align 8, !tbaa !23
  %69 = fsub double %66, %68
  %70 = getelementptr inbounds i8, ptr %57, i64 40
  %71 = load double, ptr %70, align 8, !tbaa !23
  %72 = getelementptr inbounds i8, ptr %61, i64 40
  %73 = load double, ptr %72, align 8, !tbaa !23
  %74 = fsub double %71, %73
  %75 = fmul double %69, %69
  %76 = tail call double @llvm.fmuladd.f64(double %64, double %64, double %75)
  %77 = tail call double @llvm.fmuladd.f64(double %74, double %74, double %76)
  %78 = getelementptr inbounds i8, ptr %.057, i64 8
  %79 = load double, ptr %78, align 8, !tbaa !24
  %80 = fadd double %79, -1.000000e-08
  %81 = fcmp olt double %77, %80
  br i1 %81, label %.sink.split, label %82

82:                                               ; preds = %55
  %83 = getelementptr inbounds i8, ptr %.057, i64 16
  %.05570 = load ptr, ptr %83, align 8, !tbaa !26
  %.not6771 = icmp eq ptr %.05570, null
  br i1 %.not6771, label %.critedge.thread, label %.lr.ph.preheader

.lr.ph.preheader:                                 ; preds = %82
  %84 = load double, ptr %.05570, align 8, !tbaa !27
  %85 = fcmp une double %84, 0.000000e+00
  br i1 %85, label %.lr.ph88, label %.critedge

.lr.ph88:                                         ; preds = %.lr.ph.preheader, %.lr.ph
  %.0557387 = phi ptr [ %.055, %.lr.ph ], [ %.05570, %.lr.ph.preheader ]
  %86 = getelementptr inbounds i8, ptr %.0557387, i64 24
  %.055 = load ptr, ptr %86, align 8, !tbaa !26
  %.not67 = icmp eq ptr %.055, null
  br i1 %.not67, label %.critedge.thread78, label %.lr.ph, !llvm.loop !29

.lr.ph:                                           ; preds = %.lr.ph88
  %87 = load double, ptr %.055, align 8, !tbaa !27
  %88 = fcmp une double %87, 0.000000e+00
  br i1 %88, label %.lr.ph88, label %.critedge, !llvm.loop !29

.critedge:                                        ; preds = %.lr.ph, %.lr.ph.preheader
  %.072.lcssa = phi ptr [ null, %.lr.ph.preheader ], [ %.0557387, %.lr.ph ]
  %.not68 = icmp eq ptr %.072.lcssa, null
  br i1 %.not68, label %.critedge.thread, label %.critedge.thread78

.critedge.thread:                                 ; preds = %82, %.critedge
  %89 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.266, i32 noundef %7, i32 noundef %10)
  %90 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.98, ptr noundef nonnull @.str.2, i32 noundef 2313)
  tail call void @exit(i32 noundef 1) #9
  unreachable

.critedge.thread78:                               ; preds = %.lr.ph88, %.critedge
  %.0.lcssa81 = phi ptr [ %.072.lcssa, %.critedge ], [ %.0557387, %.lr.ph88 ]
  %91 = load double, ptr %.0.lcssa81, align 8, !tbaa !27
  %92 = fcmp ogt double %77, %91
  br i1 %92, label %.sink.split, label %97

.sink.split:                                      ; preds = %.critedge.thread78, %55
  %.str.267.sink = phi ptr [ @.str.264, %55 ], [ @.str.267, %.critedge.thread78 ]
  %.0.lcssa81.sink = phi ptr [ %78, %55 ], [ %.0.lcssa81, %.critedge.thread78 ]
  %.str.268.sink = phi ptr [ @.str.265, %55 ], [ @.str.268, %.critedge.thread78 ]
  %93 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) %.str.267.sink, i32 noundef %7, i32 noundef %10)
  %94 = load double, ptr %.0.lcssa81.sink, align 8, !tbaa !23
  %95 = tail call double @sqrt(double noundef %94) #10
  %sqrt69 = tail call double @llvm.sqrt.f64(double %77)
  %96 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) %.str.268.sink, double noundef %95, double noundef %sqrt69)
  br label %97

97:                                               ; preds = %.sink.split, %.critedge.thread78
  %.1 = phi i32 [ 1, %.critedge.thread78 ], [ 0, %.sink.split ]
  ret i32 %.1
}

declare i32 @AtomTypeChange(i32 noundef, i32 noundef) local_unnamed_addr #5

declare i32 @HBModel(ptr noundef, ptr noundef) local_unnamed_addr #5

; Function Attrs: mustprogress nofree nounwind willreturn memory(write)
declare double @sqrt(double noundef) local_unnamed_addr #6

; Function Attrs: nocallback nofree nosync nounwind speculatable willreturn memory(none)
declare double @llvm.sqrt.f64(double) #7

attributes #0 = { 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 #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 = { noreturn 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 #3 = { mustprogress nocallback nofree nosync nounwind speculatable willreturn memory(none) }
attributes #4 = { 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 #5 = { "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 = { mustprogress nofree nounwind willreturn memory(write) "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 = { nocallback nofree nosync nounwind speculatable willreturn memory(none) }
attributes #8 = { nounwind willreturn memory(read) }
attributes #9 = { noreturn nounwind }
attributes #10 = { 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 0}
!6 = !{!"AtomStr", !7, i64 0, !7, i64 8}
!7 = !{!"any pointer", !8, i64 0}
!8 = !{!"omnipotent char", !9, i64 0}
!9 = !{!"Simple C/C++ TBAA"}
!10 = !{!11, !12, i64 48}
!11 = !{!"PropertyStr", !8, i64 0, !8, i64 8, !8, i64 40, !12, i64 48, !12, i64 52, !12, i64 56, !13, i64 64, !13, i64 72, !8, i64 80, !14, i64 104, !7, i64 120, !7, i64 128}
!12 = !{!"int", !8, i64 0}
!13 = !{!"double", !8, i64 0}
!14 = !{!"AtomSeqStr", !12, i64 0, !12, i64 4, !12, i64 8}
!15 = !{!6, !7, i64 8}
!16 = !{!17, !8, i64 88}
!17 = !{!"DynamicStr", !8, i64 0, !8, i64 16, !8, i64 48, !18, i64 80, !19, i64 96, !20, i64 128}
!18 = !{!"HBStr", !12, i64 0, !12, i64 4, !8, i64 8, !12, i64 12}
!19 = !{!"HBNeighborStr", !8, i64 0, !12, i64 20, !12, i64 24}
!20 = !{!"InteractionEventStr", !12, i64 0, !21, i64 8, !21, i64 16, !13, i64 24, !13, i64 32, !12, i64 40, !12, i64 44}
!21 = !{!"long", !8, i64 0}
!22 = !{!11, !12, i64 52}
!23 = !{!13, !13, i64 0}
!24 = !{!25, !13, i64 8}
!25 = !{!"ConstraintStr", !12, i64 0, !13, i64 8, !7, i64 16, !13, i64 24, !7, i64 32}
!26 = !{!7, !7, i64 0}
!27 = !{!28, !13, i64 0}
!28 = !{!"StepPotenStr", !13, i64 0, !13, i64 8, !13, i64 16, !7, i64 24}
!29 = distinct !{!29, !30}
!30 = !{!"llvm.loop.mustprogress"}


; Effective O3 passes: AggressiveInstCombinePass,CorrelatedValuePropagationPass,EarlyCSEPass,GlobalOptPass,IPSCCPPass,InferFunctionAttrsPass,InstCombinePass,InstSimplifyPass,JumpThreadingPass,LCSSAPass,LoopRotatePass,LoopSimplifyPass,LoopUnrollPass,PostOrderFunctionAttrsPass,SROAPass,SimplifyCFGPass,TailCallElimPass