; LLVM IR from alexzheng42/sDMD :: analysis (PBCAdjust)

; 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.FileStr = type { i32, [256 x i8] }
%struct.FileListStr = type { i32, [128 x [64 x i8]] }
%struct.SectionStr = type { i64, double, double, double, double, [20 x i8], %struct.WallStr, %struct.DynamicWallStr, %struct.ObstructionStr, %struct.TunnelStr, %struct.FlowStr }
%struct.WallStr = type { [20 x i8], [20 x i8], %struct.AtomStr }
%struct.AtomStr = type { ptr, ptr }
%struct.DynamicWallStr = type { [16 x i8], i32, i32, double, double, double, double, [4 x double] }
%struct.ObstructionStr = type { i32, i32, ptr, ptr, ptr }
%struct.TunnelStr = type { i32, double, double, double, %struct.AtomStr }
%struct.FlowStr = type { i32, %struct.ConstVStr, %struct.ForceStr, %struct.ChargeStr }
%struct.ConstVStr = type { [4 x double] }
%struct.ForceStr = type { [4 x double], ptr, ptr }
%struct.ChargeStr = type { i32, i32, ptr, ptr, ptr, ptr }
%struct.PepStr = type { i32, i32, i32, i32, double }
%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 }

@.str = external hidden unnamed_addr constant [29 x i8], align 1
@stdout = external global ptr, align 8
@.str.1 = external hidden unnamed_addr constant [5 x i8], align 1
@path = external global [1024 x i8], align 16
@files = external global ptr, align 8
@.str.2 = external hidden unnamed_addr constant [2 x i8], align 1
@nPP = external global i32, align 4
@.str.3 = external hidden unnamed_addr constant [18 x i8], align 1
@fileList = external global ptr, align 8
@.str.4 = external hidden unnamed_addr constant [2 x i8], align 1
@.str.5 = external hidden unnamed_addr constant [116 x i8], align 1
@.str.6 = external hidden unnamed_addr constant [71 x i8], align 1
@sectInfo = external global ptr, align 8
@.str.7 = external hidden unnamed_addr constant [3 x i8], align 1
@.str.8 = external hidden unnamed_addr constant [7 x i8], align 1
@.str.9 = external hidden unnamed_addr constant [9 x i8], align 1
@.str.10 = external hidden unnamed_addr constant [9 x i8], align 1
@boxCurtDim = external global [4 x double], align 16
@numofprotein = external global i32, align 4
@protein = external global ptr, align 8
@atom = external global ptr, align 8
@.str.11 = external hidden unnamed_addr constant [8 x i8], align 1

; Function Attrs: nounwind uwtable
define dso_local void @AdjustPBC(i32 noundef %0) #0 {
  %2 = alloca i32, align 4
  %3 = alloca i32, align 4
  %4 = alloca i32, align 4
  %5 = alloca i64, align 8
  %6 = alloca i64, align 8
  %7 = alloca [4 x double], align 16
  %8 = alloca [1024 x i8], align 16
  %9 = alloca [1024 x i8], align 16
  %10 = alloca ptr, align 8
  %11 = alloca ptr, align 8
  %12 = alloca ptr, align 8
  %13 = alloca i32, align 4
  %14 = alloca i32, align 4
  %15 = alloca i32, align 4
  %16 = alloca i32, align 4
  %17 = alloca i32, align 4
  %18 = alloca i32, align 4
  %19 = alloca i32, align 4
  %20 = alloca i32, align 4
  store i32 %0, ptr %2, align 4, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %3) #7
  store i32 3, ptr %3, align 4, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %4) #7
  store i32 1, ptr %4, align 4, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 8, ptr %5) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %6) #7
  call void @llvm.lifetime.start.p0(i64 32, ptr %7) #7
  call void @llvm.lifetime.start.p0(i64 1024, ptr %8) #7
  call void @llvm.lifetime.start.p0(i64 1024, ptr %9) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %10) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %11) #7
  call void @llvm.lifetime.start.p0(i64 8, ptr %12) #7
  store ptr null, ptr %12, align 8, !tbaa !9
  %21 = call i32 (ptr, ...) @printf(ptr noundef @.str)
  %22 = load ptr, ptr @stdout, align 8, !tbaa !9
  %23 = call i32 @fflush(ptr noundef %22)
  %24 = getelementptr inbounds [1024 x i8], ptr %8, i64 0, i64 0
  %25 = load ptr, ptr @files, align 8, !tbaa !9
  %26 = getelementptr inbounds ptr, ptr %25, i64 8
  %27 = load ptr, ptr %26, align 8, !tbaa !9
  %28 = load i32, ptr %2, align 4, !tbaa !5
  %29 = sext i32 %28 to i64
  %30 = getelementptr inbounds %struct.FileStr, ptr %27, i64 %29
  %31 = getelementptr inbounds %struct.FileStr, ptr %30, i32 0, i32 1
  %32 = getelementptr inbounds [256 x i8], ptr %31, i64 0, i64 0
  %33 = call i32 (ptr, ptr, ...) @sprintf(ptr noundef %24, ptr noundef @.str.1, ptr noundef @path, ptr noundef %32) #7
  %34 = getelementptr inbounds [1024 x i8], ptr %8, i64 0, i64 0
  %35 = call noalias ptr @fopen(ptr noundef %34, ptr noundef @.str.2)
  store ptr %35, ptr %11, align 8, !tbaa !9
  %36 = load i32, ptr @nPP, align 4, !tbaa !5
  %37 = icmp ne i32 %36, 0
  br i1 %37, label %38, label %44

38:                                               ; preds = %1
  %39 = getelementptr inbounds [1024 x i8], ptr %8, i64 0, i64 0
  %40 = load i32, ptr @nPP, align 4, !tbaa !5
  %41 = call i32 (ptr, ptr, ...) @sprintf(ptr noundef %39, ptr noundef @.str.3, ptr noundef @path, i32 noundef %40) #7
  %42 = getelementptr inbounds [1024 x i8], ptr %8, i64 0, i64 0
  %43 = call noalias ptr @fopen(ptr noundef %42, ptr noundef @.str.2)
  store ptr %43, ptr %12, align 8, !tbaa !9
  br label %44

44:                                               ; preds = %38, %1
  call void @llvm.lifetime.start.p0(i64 4, ptr %13) #7
  store i32 0, ptr %13, align 4, !tbaa !5
  br label %45

45:                                               ; preds = %473, %44
  %46 = load i32, ptr %13, align 4, !tbaa !5
  %47 = load ptr, ptr @fileList, align 8, !tbaa !9
  %48 = load i32, ptr %2, align 4, !tbaa !5
  %49 = sext i32 %48 to i64
  %50 = getelementptr inbounds %struct.FileListStr, ptr %47, i64 %49
  %51 = getelementptr inbounds %struct.FileListStr, ptr %50, i32 0, i32 0
  %52 = load i32, ptr %51, align 4, !tbaa !11
  %53 = icmp slt i32 %46, %52
  br i1 %53, label %55, label %54

54:                                               ; preds = %45
  store i32 2, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %13) #7
  br label %476

55:                                               ; preds = %45
  %56 = getelementptr inbounds [1024 x i8], ptr %9, i64 0, i64 0
  call void @llvm.memset.p0.i64(ptr align 16 %56, i8 0, i64 1024, i1 false)
  %57 = load ptr, ptr @files, align 8, !tbaa !9
  %58 = getelementptr inbounds ptr, ptr %57, i64 4
  %59 = load ptr, ptr %58, align 8, !tbaa !9
  %60 = load i32, ptr %2, align 4, !tbaa !5
  %61 = sext i32 %60 to i64
  %62 = getelementptr inbounds %struct.FileStr, ptr %59, i64 %61
  %63 = getelementptr inbounds %struct.FileStr, ptr %62, i32 0, i32 1
  %64 = getelementptr inbounds [256 x i8], ptr %63, i64 0, i64 0
  %65 = load ptr, ptr @fileList, align 8, !tbaa !9
  %66 = load i32, ptr %2, align 4, !tbaa !5
  %67 = sext i32 %66 to i64
  %68 = getelementptr inbounds %struct.FileListStr, ptr %65, i64 %67
  %69 = getelementptr inbounds %struct.FileListStr, ptr %68, i32 0, i32 1
  %70 = load i32, ptr %13, align 4, !tbaa !5
  %71 = add nsw i32 %70, 1
  %72 = sext i32 %71 to i64
  %73 = getelementptr inbounds [128 x [64 x i8]], ptr %69, i64 0, i64 %72
  %74 = getelementptr inbounds [64 x i8], ptr %73, i64 0, i64 0
  %75 = getelementptr inbounds [1024 x i8], ptr %9, i64 0, i64 0
  call void @FindTargetFile(ptr noundef %64, ptr noundef %74, ptr noundef %75)
  %76 = getelementptr inbounds [1024 x i8], ptr %8, i64 0, i64 0
  %77 = getelementptr inbounds [1024 x i8], ptr %9, i64 0, i64 0
  %78 = call i32 (ptr, ptr, ...) @sprintf(ptr noundef %76, ptr noundef @.str.1, ptr noundef @path, ptr noundef %77) #7
  %79 = getelementptr inbounds [1024 x i8], ptr %8, i64 0, i64 0
  %80 = call noalias ptr @fopen(ptr noundef %79, ptr noundef @.str.4)
  store ptr %80, ptr %10, align 8, !tbaa !9
  %81 = load ptr, ptr %10, align 8, !tbaa !9
  %82 = icmp eq ptr %81, null
  br i1 %82, label %83, label %86

83:                                               ; preds = %55
  %84 = getelementptr inbounds [1024 x i8], ptr %9, i64 0, i64 0
  %85 = call i32 (ptr, ...) @printf(ptr noundef @.str.5, ptr noundef %84, ptr noundef @path, ptr noundef @.str.6, i32 noundef 43)
  call void @exit(i32 noundef 1) #8
  unreachable

86:                                               ; preds = %55
  %87 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %88 = load i32, ptr %13, align 4, !tbaa !5
  %89 = sext i32 %88 to i64
  %90 = getelementptr inbounds %struct.SectionStr, ptr %87, i64 %89
  %91 = getelementptr inbounds %struct.SectionStr, ptr %90, i32 0, i32 6
  %92 = getelementptr inbounds %struct.WallStr, ptr %91, i32 0, i32 0
  %93 = getelementptr inbounds [20 x i8], ptr %92, i64 0, i64 0
  %94 = call i32 @strcmp(ptr noundef %93, ptr noundef @.str.7) #9
  %95 = icmp ne i32 %94, 0
  br i1 %95, label %96, label %131

96:                                               ; preds = %86
  %97 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %98 = load i32, ptr %13, align 4, !tbaa !5
  %99 = sext i32 %98 to i64
  %100 = getelementptr inbounds %struct.SectionStr, ptr %97, i64 %99
  %101 = getelementptr inbounds %struct.SectionStr, ptr %100, i32 0, i32 6
  %102 = getelementptr inbounds %struct.WallStr, ptr %101, i32 0, i32 1
  %103 = getelementptr inbounds [20 x i8], ptr %102, i64 0, i64 0
  %104 = call i32 @strncmp(ptr noundef %103, ptr noundef @.str.8, i64 noundef 1) #9
  %105 = icmp eq i32 %104, 0
  br i1 %105, label %106, label %107

106:                                              ; preds = %96
  store i32 0, ptr %3, align 4, !tbaa !5
  br label %107

107:                                              ; preds = %106, %96
  %108 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %109 = load i32, ptr %13, align 4, !tbaa !5
  %110 = sext i32 %109 to i64
  %111 = getelementptr inbounds %struct.SectionStr, ptr %108, i64 %110
  %112 = getelementptr inbounds %struct.SectionStr, ptr %111, i32 0, i32 6
  %113 = getelementptr inbounds %struct.WallStr, ptr %112, i32 0, i32 1
  %114 = getelementptr inbounds [20 x i8], ptr %113, i64 0, i64 0
  %115 = call i32 @strncmp(ptr noundef %114, ptr noundef @.str.9, i64 noundef 1) #9
  %116 = icmp eq i32 %115, 0
  br i1 %116, label %117, label %118

117:                                              ; preds = %107
  store i32 2, ptr %4, align 4, !tbaa !5
  br label %130

118:                                              ; preds = %107
  %119 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %120 = load i32, ptr %13, align 4, !tbaa !5
  %121 = sext i32 %120 to i64
  %122 = getelementptr inbounds %struct.SectionStr, ptr %119, i64 %121
  %123 = getelementptr inbounds %struct.SectionStr, ptr %122, i32 0, i32 6
  %124 = getelementptr inbounds %struct.WallStr, ptr %123, i32 0, i32 1
  %125 = getelementptr inbounds [20 x i8], ptr %124, i64 0, i64 0
  %126 = call i32 @strncmp(ptr noundef %125, ptr noundef @.str.10, i64 noundef 1) #9
  %127 = icmp eq i32 %126, 0
  br i1 %127, label %128, label %129

128:                                              ; preds = %118
  store i32 1, ptr %3, align 4, !tbaa !5
  br label %129

129:                                              ; preds = %128, %118
  br label %130

130:                                              ; preds = %129, %117
  br label %131

131:                                              ; preds = %130, %86
  %132 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %133 = load i32, ptr %13, align 4, !tbaa !5
  %134 = sext i32 %133 to i64
  %135 = getelementptr inbounds %struct.SectionStr, ptr %132, i64 %134
  %136 = getelementptr inbounds %struct.SectionStr, ptr %135, i32 0, i32 1
  %137 = load double, ptr %136, align 8, !tbaa !13
  %138 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %139 = load i32, ptr %13, align 4, !tbaa !5
  %140 = sext i32 %139 to i64
  %141 = getelementptr inbounds %struct.SectionStr, ptr %138, i64 %140
  %142 = getelementptr inbounds %struct.SectionStr, ptr %141, i32 0, i32 0
  %143 = load i64, ptr %142, align 8, !tbaa !26
  %144 = sitofp i64 %143 to double
  %145 = fadd double %137, %144
  %146 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %147 = load i32, ptr %13, align 4, !tbaa !5
  %148 = sext i32 %147 to i64
  %149 = getelementptr inbounds %struct.SectionStr, ptr %146, i64 %148
  %150 = getelementptr inbounds %struct.SectionStr, ptr %149, i32 0, i32 4
  %151 = load double, ptr %150, align 8, !tbaa !27
  %152 = fdiv double %145, %151
  %153 = fadd double %152, 1.000000e+00
  %154 = fptosi double %153 to i64
  store i64 %154, ptr %6, align 8, !tbaa !28
  %155 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %156 = load i32, ptr %13, align 4, !tbaa !5
  %157 = sext i32 %156 to i64
  %158 = getelementptr inbounds %struct.SectionStr, ptr %155, i64 %157
  %159 = getelementptr inbounds %struct.SectionStr, ptr %158, i32 0, i32 1
  %160 = load double, ptr %159, align 8, !tbaa !13
  %161 = load ptr, ptr @sectInfo, align 8, !tbaa !9
  %162 = load i32, ptr %13, align 4, !tbaa !5
  %163 = sext i32 %162 to i64
  %164 = getelementptr inbounds %struct.SectionStr, ptr %161, i64 %163
  %165 = getelementptr inbounds %struct.SectionStr, ptr %164, i32 0, i32 4
  %166 = load double, ptr %165, align 8, !tbaa !27
  %167 = fdiv double %160, %166
  %168 = fptosi double %167 to i64
  store i64 %168, ptr %5, align 8, !tbaa !28
  br label %169

169:                                              ; preds = %467, %131
  %170 = load i64, ptr %5, align 8, !tbaa !28
  %171 = load i64, ptr %6, align 8, !tbaa !28
  %172 = icmp slt i64 %170, %171
  br i1 %172, label %173, label %470

173:                                              ; preds = %169
  %174 = load ptr, ptr %10, align 8, !tbaa !9
  %175 = call i32 @ReadGro(ptr noundef %174)
  %176 = icmp ne i32 %175, 0
  br i1 %176, label %177, label %178

177:                                              ; preds = %173
  br label %470

178:                                              ; preds = %173
  %179 = load i64, ptr %5, align 8, !tbaa !28
  call void @PrintProcess(i64 noundef %179)
  %180 = load double, ptr getelementptr inbounds ([4 x double], ptr @boxCurtDim, i64 0, i64 1), align 8, !tbaa !29
  %181 = fdiv double %180, 2.000000e+00
  %182 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 1
  store double %181, ptr %182, align 8, !tbaa !29
  %183 = load double, ptr getelementptr inbounds ([4 x double], ptr @boxCurtDim, i64 0, i64 2), align 16, !tbaa !29
  %184 = fdiv double %183, 2.000000e+00
  %185 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 2
  store double %184, ptr %185, align 16, !tbaa !29
  %186 = load double, ptr getelementptr inbounds ([4 x double], ptr @boxCurtDim, i64 0, i64 3), align 8, !tbaa !29
  %187 = fdiv double %186, 2.000000e+00
  %188 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 3
  store double %187, ptr %188, align 8, !tbaa !29
  call void @llvm.lifetime.start.p0(i64 4, ptr %15) #7
  store i32 1, ptr %15, align 4, !tbaa !5
  br label %189

189:                                              ; preds = %457, %178
  %190 = load i32, ptr %15, align 4, !tbaa !5
  %191 = load i32, ptr @numofprotein, align 4, !tbaa !5
  %192 = icmp sle i32 %190, %191
  br i1 %192, label %194, label %193

193:                                              ; preds = %189
  store i32 8, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %15) #7
  br label %460

194:                                              ; preds = %189
  call void @llvm.lifetime.start.p0(i64 4, ptr %16) #7
  %195 = load ptr, ptr @protein, align 8, !tbaa !9
  %196 = load i32, ptr %15, align 4, !tbaa !5
  %197 = sext i32 %196 to i64
  %198 = getelementptr inbounds %struct.PepStr, ptr %195, i64 %197
  %199 = getelementptr inbounds %struct.PepStr, ptr %198, i32 0, i32 0
  %200 = load i32, ptr %199, align 8, !tbaa !30
  %201 = load ptr, ptr @protein, align 8, !tbaa !9
  %202 = load i32, ptr %15, align 4, !tbaa !5
  %203 = sext i32 %202 to i64
  %204 = getelementptr inbounds %struct.PepStr, ptr %201, i64 %203
  %205 = getelementptr inbounds %struct.PepStr, ptr %204, i32 0, i32 1
  %206 = load i32, ptr %205, align 4, !tbaa !32
  %207 = add nsw i32 %200, %206
  %208 = sitofp i32 %207 to double
  %209 = fmul double %208, 5.000000e-01
  %210 = fptosi double %209 to i32
  store i32 %210, ptr %16, align 4, !tbaa !5
  call void @llvm.lifetime.start.p0(i64 4, ptr %17) #7
  %211 = load i32, ptr %16, align 4, !tbaa !5
  %212 = add nsw i32 %211, 1
  store i32 %212, ptr %17, align 4, !tbaa !5
  br label %213

213:                                              ; preds = %330, %194
  %214 = load i32, ptr %17, align 4, !tbaa !5
  %215 = load ptr, ptr @protein, align 8, !tbaa !9
  %216 = load i32, ptr %15, align 4, !tbaa !5
  %217 = sext i32 %216 to i64
  %218 = getelementptr inbounds %struct.PepStr, ptr %215, i64 %217
  %219 = getelementptr inbounds %struct.PepStr, ptr %218, i32 0, i32 1
  %220 = load i32, ptr %219, align 4, !tbaa !32
  %221 = icmp sle i32 %214, %220
  br i1 %221, label %223, label %222

222:                                              ; preds = %213
  store i32 11, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %17) #7
  br label %333

223:                                              ; preds = %213
  call void @llvm.lifetime.start.p0(i64 4, ptr %18) #7
  store i32 1, ptr %18, align 4, !tbaa !5
  br label %224

224:                                              ; preds = %325, %223
  %225 = load i32, ptr %18, align 4, !tbaa !5
  %226 = load i32, ptr %3, align 4, !tbaa !5
  %227 = icmp sle i32 %225, %226
  br i1 %227, label %229, label %228

228:                                              ; preds = %224
  store i32 14, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %18) #7
  br label %329

229:                                              ; preds = %224
  %230 = load ptr, ptr @atom, align 8, !tbaa !9
  %231 = load i32, ptr %17, align 4, !tbaa !5
  %232 = sext i32 %231 to i64
  %233 = getelementptr inbounds %struct.AtomStr, ptr %230, i64 %232
  %234 = getelementptr inbounds %struct.AtomStr, ptr %233, i32 0, i32 1
  %235 = load ptr, ptr %234, align 8, !tbaa !33
  %236 = getelementptr inbounds %struct.DynamicStr, ptr %235, i32 0, i32 1
  %237 = load i32, ptr %18, align 4, !tbaa !5
  %238 = sext i32 %237 to i64
  %239 = getelementptr inbounds [4 x double], ptr %236, i64 0, i64 %238
  %240 = load double, ptr %239, align 8, !tbaa !29
  %241 = load ptr, ptr @atom, align 8, !tbaa !9
  %242 = load i32, ptr %17, align 4, !tbaa !5
  %243 = sub nsw i32 %242, 1
  %244 = sext i32 %243 to i64
  %245 = getelementptr inbounds %struct.AtomStr, ptr %241, i64 %244
  %246 = getelementptr inbounds %struct.AtomStr, ptr %245, i32 0, i32 1
  %247 = load ptr, ptr %246, align 8, !tbaa !33
  %248 = getelementptr inbounds %struct.DynamicStr, ptr %247, i32 0, i32 1
  %249 = load i32, ptr %18, align 4, !tbaa !5
  %250 = sext i32 %249 to i64
  %251 = getelementptr inbounds [4 x double], ptr %248, i64 0, i64 %250
  %252 = load double, ptr %251, align 8, !tbaa !29
  %253 = fsub double %240, %252
  %254 = load i32, ptr %18, align 4, !tbaa !5
  %255 = sext i32 %254 to i64
  %256 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 %255
  %257 = load double, ptr %256, align 8, !tbaa !29
  %258 = fcmp ogt double %253, %257
  br i1 %258, label %259, label %276

259:                                              ; preds = %229
  %260 = load i32, ptr %18, align 4, !tbaa !5
  %261 = sext i32 %260 to i64
  %262 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %261
  %263 = load double, ptr %262, align 8, !tbaa !29
  %264 = load ptr, ptr @atom, align 8, !tbaa !9
  %265 = load i32, ptr %17, align 4, !tbaa !5
  %266 = sext i32 %265 to i64
  %267 = getelementptr inbounds %struct.AtomStr, ptr %264, i64 %266
  %268 = getelementptr inbounds %struct.AtomStr, ptr %267, i32 0, i32 1
  %269 = load ptr, ptr %268, align 8, !tbaa !33
  %270 = getelementptr inbounds %struct.DynamicStr, ptr %269, i32 0, i32 1
  %271 = load i32, ptr %18, align 4, !tbaa !5
  %272 = sext i32 %271 to i64
  %273 = getelementptr inbounds [4 x double], ptr %270, i64 0, i64 %272
  %274 = load double, ptr %273, align 8, !tbaa !29
  %275 = fsub double %274, %263
  store double %275, ptr %273, align 8, !tbaa !29
  br label %324

276:                                              ; preds = %229
  %277 = load ptr, ptr @atom, align 8, !tbaa !9
  %278 = load i32, ptr %17, align 4, !tbaa !5
  %279 = sub nsw i32 %278, 1
  %280 = sext i32 %279 to i64
  %281 = getelementptr inbounds %struct.AtomStr, ptr %277, i64 %280
  %282 = getelementptr inbounds %struct.AtomStr, ptr %281, i32 0, i32 1
  %283 = load ptr, ptr %282, align 8, !tbaa !33
  %284 = getelementptr inbounds %struct.DynamicStr, ptr %283, i32 0, i32 1
  %285 = load i32, ptr %18, align 4, !tbaa !5
  %286 = sext i32 %285 to i64
  %287 = getelementptr inbounds [4 x double], ptr %284, i64 0, i64 %286
  %288 = load double, ptr %287, align 8, !tbaa !29
  %289 = load ptr, ptr @atom, align 8, !tbaa !9
  %290 = load i32, ptr %17, align 4, !tbaa !5
  %291 = sext i32 %290 to i64
  %292 = getelementptr inbounds %struct.AtomStr, ptr %289, i64 %291
  %293 = getelementptr inbounds %struct.AtomStr, ptr %292, i32 0, i32 1
  %294 = load ptr, ptr %293, align 8, !tbaa !33
  %295 = getelementptr inbounds %struct.DynamicStr, ptr %294, i32 0, i32 1
  %296 = load i32, ptr %18, align 4, !tbaa !5
  %297 = sext i32 %296 to i64
  %298 = getelementptr inbounds [4 x double], ptr %295, i64 0, i64 %297
  %299 = load double, ptr %298, align 8, !tbaa !29
  %300 = fsub double %288, %299
  %301 = load i32, ptr %18, align 4, !tbaa !5
  %302 = sext i32 %301 to i64
  %303 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 %302
  %304 = load double, ptr %303, align 8, !tbaa !29
  %305 = fcmp ogt double %300, %304
  br i1 %305, label %306, label %323

306:                                              ; preds = %276
  %307 = load i32, ptr %18, align 4, !tbaa !5
  %308 = sext i32 %307 to i64
  %309 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %308
  %310 = load double, ptr %309, align 8, !tbaa !29
  %311 = load ptr, ptr @atom, align 8, !tbaa !9
  %312 = load i32, ptr %17, align 4, !tbaa !5
  %313 = sext i32 %312 to i64
  %314 = getelementptr inbounds %struct.AtomStr, ptr %311, i64 %313
  %315 = getelementptr inbounds %struct.AtomStr, ptr %314, i32 0, i32 1
  %316 = load ptr, ptr %315, align 8, !tbaa !33
  %317 = getelementptr inbounds %struct.DynamicStr, ptr %316, i32 0, i32 1
  %318 = load i32, ptr %18, align 4, !tbaa !5
  %319 = sext i32 %318 to i64
  %320 = getelementptr inbounds [4 x double], ptr %317, i64 0, i64 %319
  %321 = load double, ptr %320, align 8, !tbaa !29
  %322 = fadd double %321, %310
  store double %322, ptr %320, align 8, !tbaa !29
  br label %323

323:                                              ; preds = %306, %276
  br label %324

324:                                              ; preds = %323, %259
  br label %325

325:                                              ; preds = %324
  %326 = load i32, ptr %4, align 4, !tbaa !5
  %327 = load i32, ptr %18, align 4, !tbaa !5
  %328 = add nsw i32 %327, %326
  store i32 %328, ptr %18, align 4, !tbaa !5
  br label %224, !llvm.loop !34

329:                                              ; preds = %228
  br label %330

330:                                              ; preds = %329
  %331 = load i32, ptr %17, align 4, !tbaa !5
  %332 = add nsw i32 %331, 1
  store i32 %332, ptr %17, align 4, !tbaa !5
  br label %213, !llvm.loop !36

333:                                              ; preds = %222
  call void @llvm.lifetime.start.p0(i64 4, ptr %19) #7
  %334 = load i32, ptr %16, align 4, !tbaa !5
  %335 = sub nsw i32 %334, 1
  store i32 %335, ptr %19, align 4, !tbaa !5
  br label %336

336:                                              ; preds = %453, %333
  %337 = load i32, ptr %19, align 4, !tbaa !5
  %338 = load ptr, ptr @protein, align 8, !tbaa !9
  %339 = load i32, ptr %15, align 4, !tbaa !5
  %340 = sext i32 %339 to i64
  %341 = getelementptr inbounds %struct.PepStr, ptr %338, i64 %340
  %342 = getelementptr inbounds %struct.PepStr, ptr %341, i32 0, i32 0
  %343 = load i32, ptr %342, align 8, !tbaa !30
  %344 = icmp sge i32 %337, %343
  br i1 %344, label %346, label %345

345:                                              ; preds = %336
  store i32 17, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %19) #7
  br label %456

346:                                              ; preds = %336
  call void @llvm.lifetime.start.p0(i64 4, ptr %20) #7
  store i32 1, ptr %20, align 4, !tbaa !5
  br label %347

347:                                              ; preds = %448, %346
  %348 = load i32, ptr %20, align 4, !tbaa !5
  %349 = load i32, ptr %3, align 4, !tbaa !5
  %350 = icmp sle i32 %348, %349
  br i1 %350, label %352, label %351

351:                                              ; preds = %347
  store i32 20, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 4, ptr %20) #7
  br label %452

352:                                              ; preds = %347
  %353 = load ptr, ptr @atom, align 8, !tbaa !9
  %354 = load i32, ptr %19, align 4, !tbaa !5
  %355 = sext i32 %354 to i64
  %356 = getelementptr inbounds %struct.AtomStr, ptr %353, i64 %355
  %357 = getelementptr inbounds %struct.AtomStr, ptr %356, i32 0, i32 1
  %358 = load ptr, ptr %357, align 8, !tbaa !33
  %359 = getelementptr inbounds %struct.DynamicStr, ptr %358, i32 0, i32 1
  %360 = load i32, ptr %20, align 4, !tbaa !5
  %361 = sext i32 %360 to i64
  %362 = getelementptr inbounds [4 x double], ptr %359, i64 0, i64 %361
  %363 = load double, ptr %362, align 8, !tbaa !29
  %364 = load ptr, ptr @atom, align 8, !tbaa !9
  %365 = load i32, ptr %19, align 4, !tbaa !5
  %366 = add nsw i32 %365, 1
  %367 = sext i32 %366 to i64
  %368 = getelementptr inbounds %struct.AtomStr, ptr %364, i64 %367
  %369 = getelementptr inbounds %struct.AtomStr, ptr %368, i32 0, i32 1
  %370 = load ptr, ptr %369, align 8, !tbaa !33
  %371 = getelementptr inbounds %struct.DynamicStr, ptr %370, i32 0, i32 1
  %372 = load i32, ptr %20, align 4, !tbaa !5
  %373 = sext i32 %372 to i64
  %374 = getelementptr inbounds [4 x double], ptr %371, i64 0, i64 %373
  %375 = load double, ptr %374, align 8, !tbaa !29
  %376 = fsub double %363, %375
  %377 = load i32, ptr %20, align 4, !tbaa !5
  %378 = sext i32 %377 to i64
  %379 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 %378
  %380 = load double, ptr %379, align 8, !tbaa !29
  %381 = fcmp ogt double %376, %380
  br i1 %381, label %382, label %399

382:                                              ; preds = %352
  %383 = load i32, ptr %20, align 4, !tbaa !5
  %384 = sext i32 %383 to i64
  %385 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %384
  %386 = load double, ptr %385, align 8, !tbaa !29
  %387 = load ptr, ptr @atom, align 8, !tbaa !9
  %388 = load i32, ptr %19, align 4, !tbaa !5
  %389 = sext i32 %388 to i64
  %390 = getelementptr inbounds %struct.AtomStr, ptr %387, i64 %389
  %391 = getelementptr inbounds %struct.AtomStr, ptr %390, i32 0, i32 1
  %392 = load ptr, ptr %391, align 8, !tbaa !33
  %393 = getelementptr inbounds %struct.DynamicStr, ptr %392, i32 0, i32 1
  %394 = load i32, ptr %20, align 4, !tbaa !5
  %395 = sext i32 %394 to i64
  %396 = getelementptr inbounds [4 x double], ptr %393, i64 0, i64 %395
  %397 = load double, ptr %396, align 8, !tbaa !29
  %398 = fsub double %397, %386
  store double %398, ptr %396, align 8, !tbaa !29
  br label %447

399:                                              ; preds = %352
  %400 = load ptr, ptr @atom, align 8, !tbaa !9
  %401 = load i32, ptr %19, align 4, !tbaa !5
  %402 = add nsw i32 %401, 1
  %403 = sext i32 %402 to i64
  %404 = getelementptr inbounds %struct.AtomStr, ptr %400, i64 %403
  %405 = getelementptr inbounds %struct.AtomStr, ptr %404, i32 0, i32 1
  %406 = load ptr, ptr %405, align 8, !tbaa !33
  %407 = getelementptr inbounds %struct.DynamicStr, ptr %406, i32 0, i32 1
  %408 = load i32, ptr %20, align 4, !tbaa !5
  %409 = sext i32 %408 to i64
  %410 = getelementptr inbounds [4 x double], ptr %407, i64 0, i64 %409
  %411 = load double, ptr %410, align 8, !tbaa !29
  %412 = load ptr, ptr @atom, align 8, !tbaa !9
  %413 = load i32, ptr %19, align 4, !tbaa !5
  %414 = sext i32 %413 to i64
  %415 = getelementptr inbounds %struct.AtomStr, ptr %412, i64 %414
  %416 = getelementptr inbounds %struct.AtomStr, ptr %415, i32 0, i32 1
  %417 = load ptr, ptr %416, align 8, !tbaa !33
  %418 = getelementptr inbounds %struct.DynamicStr, ptr %417, i32 0, i32 1
  %419 = load i32, ptr %20, align 4, !tbaa !5
  %420 = sext i32 %419 to i64
  %421 = getelementptr inbounds [4 x double], ptr %418, i64 0, i64 %420
  %422 = load double, ptr %421, align 8, !tbaa !29
  %423 = fsub double %411, %422
  %424 = load i32, ptr %20, align 4, !tbaa !5
  %425 = sext i32 %424 to i64
  %426 = getelementptr inbounds [4 x double], ptr %7, i64 0, i64 %425
  %427 = load double, ptr %426, align 8, !tbaa !29
  %428 = fcmp ogt double %423, %427
  br i1 %428, label %429, label %446

429:                                              ; preds = %399
  %430 = load i32, ptr %20, align 4, !tbaa !5
  %431 = sext i32 %430 to i64
  %432 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %431
  %433 = load double, ptr %432, align 8, !tbaa !29
  %434 = load ptr, ptr @atom, align 8, !tbaa !9
  %435 = load i32, ptr %19, align 4, !tbaa !5
  %436 = sext i32 %435 to i64
  %437 = getelementptr inbounds %struct.AtomStr, ptr %434, i64 %436
  %438 = getelementptr inbounds %struct.AtomStr, ptr %437, i32 0, i32 1
  %439 = load ptr, ptr %438, align 8, !tbaa !33
  %440 = getelementptr inbounds %struct.DynamicStr, ptr %439, i32 0, i32 1
  %441 = load i32, ptr %20, align 4, !tbaa !5
  %442 = sext i32 %441 to i64
  %443 = getelementptr inbounds [4 x double], ptr %440, i64 0, i64 %442
  %444 = load double, ptr %443, align 8, !tbaa !29
  %445 = fadd double %444, %433
  store double %445, ptr %443, align 8, !tbaa !29
  br label %446

446:                                              ; preds = %429, %399
  br label %447

447:                                              ; preds = %446, %382
  br label %448

448:                                              ; preds = %447
  %449 = load i32, ptr %4, align 4, !tbaa !5
  %450 = load i32, ptr %20, align 4, !tbaa !5
  %451 = add nsw i32 %450, %449
  store i32 %451, ptr %20, align 4, !tbaa !5
  br label %347, !llvm.loop !37

452:                                              ; preds = %351
  br label %453

453:                                              ; preds = %452
  %454 = load i32, ptr %19, align 4, !tbaa !5
  %455 = add nsw i32 %454, -1
  store i32 %455, ptr %19, align 4, !tbaa !5
  br label %336, !llvm.loop !38

456:                                              ; preds = %345
  call void @llvm.lifetime.end.p0(i64 4, ptr %16) #7
  br label %457

457:                                              ; preds = %456
  %458 = load i32, ptr %15, align 4, !tbaa !5
  %459 = add nsw i32 %458, 1
  store i32 %459, ptr %15, align 4, !tbaa !5
  br label %189, !llvm.loop !39

460:                                              ; preds = %193
  %461 = load ptr, ptr %11, align 8, !tbaa !9
  call void @SaveGRO(ptr noundef %461)
  %462 = load i32, ptr @nPP, align 4, !tbaa !5
  %463 = icmp ne i32 %462, 0
  br i1 %463, label %464, label %466

464:                                              ; preds = %460
  %465 = load ptr, ptr %12, align 8, !tbaa !9
  call void @SaveGROMono(ptr noundef %465)
  br label %466

466:                                              ; preds = %464, %460
  br label %467

467:                                              ; preds = %466
  %468 = load i64, ptr %5, align 8, !tbaa !28
  %469 = add nsw i64 %468, 1
  store i64 %469, ptr %5, align 8, !tbaa !28
  br label %169, !llvm.loop !40

470:                                              ; preds = %177, %169
  %471 = load ptr, ptr %10, align 8, !tbaa !9
  %472 = call i32 @fclose(ptr noundef %471)
  br label %473

473:                                              ; preds = %470
  %474 = load i32, ptr %13, align 4, !tbaa !5
  %475 = add nsw i32 %474, 1
  store i32 %475, ptr %13, align 4, !tbaa !5
  br label %45, !llvm.loop !41

476:                                              ; preds = %54
  %477 = load ptr, ptr %11, align 8, !tbaa !9
  %478 = call i32 @fclose(ptr noundef %477)
  %479 = call i32 (ptr, ...) @printf(ptr noundef @.str.11)
  %480 = load ptr, ptr @stdout, align 8, !tbaa !9
  %481 = call i32 @fflush(ptr noundef %480)
  store i32 1, ptr %14, align 4
  call void @llvm.lifetime.end.p0(i64 8, ptr %12) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %11) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %10) #7
  call void @llvm.lifetime.end.p0(i64 1024, ptr %9) #7
  call void @llvm.lifetime.end.p0(i64 1024, ptr %8) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr %7) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %6) #7
  call void @llvm.lifetime.end.p0(i64 8, ptr %5) #7
  call void @llvm.lifetime.end.p0(i64 4, ptr %4) #7
  call void @llvm.lifetime.end.p0(i64 4, ptr %3) #7
  ret void
}

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #1

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

declare i32 @fflush(ptr noundef) #2

; Function Attrs: nounwind
declare i32 @sprintf(ptr noundef, ptr noundef, ...) #3

declare noalias ptr @fopen(ptr noundef, ptr noundef) #2

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

declare void @FindTargetFile(ptr noundef, ptr noundef, ptr noundef) #2

; Function Attrs: noreturn nounwind
declare void @exit(i32 noundef) #5

; Function Attrs: nounwind willreturn memory(read)
declare i32 @strcmp(ptr noundef, ptr noundef) #6

; Function Attrs: nounwind willreturn memory(read)
declare i32 @strncmp(ptr noundef, ptr noundef, i64 noundef) #6

; Function Attrs: nounwind uwtable
declare dso_local i32 @ReadGro(ptr noundef) #0

declare void @PrintProcess(i64 noundef) #2

; Function Attrs: nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: nounwind uwtable
declare hidden void @SaveGRO(ptr noundef) #0

; Function Attrs: nounwind uwtable
declare hidden void @SaveGROMono(ptr noundef) #0

declare i32 @fclose(ptr noundef) #2

attributes #0 = { nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #1 = { nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
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 = { 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 = { 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 #6 = { 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 #7 = { nounwind }
attributes #8 = { noreturn nounwind }
attributes #9 = { 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 = !{!"int", !7, i64 0}
!7 = !{!"omnipotent char", !8, i64 0}
!8 = !{!"Simple C/C++ TBAA"}
!9 = !{!10, !10, i64 0}
!10 = !{!"any pointer", !7, i64 0}
!11 = !{!12, !6, i64 0}
!12 = !{!"FileListStr", !6, i64 0, !7, i64 4}
!13 = !{!14, !16, i64 8}
!14 = !{!"SectionStr", !15, i64 0, !16, i64 8, !16, i64 16, !16, i64 24, !16, i64 32, !7, i64 40, !17, i64 64, !19, i64 120, !20, i64 208, !21, i64 240, !22, i64 288}
!15 = !{!"long", !7, i64 0}
!16 = !{!"double", !7, i64 0}
!17 = !{!"WallStr", !7, i64 0, !7, i64 20, !18, i64 40}
!18 = !{!"AtomStr", !10, i64 0, !10, i64 8}
!19 = !{!"DynamicWallStr", !7, i64 0, !6, i64 16, !6, i64 20, !16, i64 24, !16, i64 32, !16, i64 40, !16, i64 48, !7, i64 56}
!20 = !{!"ObstructionStr", !6, i64 0, !6, i64 4, !10, i64 8, !10, i64 16, !10, i64 24}
!21 = !{!"TunnelStr", !6, i64 0, !16, i64 8, !16, i64 16, !16, i64 24, !18, i64 32}
!22 = !{!"FlowStr", !6, i64 0, !23, i64 8, !24, i64 40, !25, i64 88}
!23 = !{!"ConstVStr", !7, i64 0}
!24 = !{!"ForceStr", !7, i64 0, !10, i64 32, !10, i64 40}
!25 = !{!"ChargeStr", !6, i64 0, !6, i64 4, !10, i64 8, !10, i64 16, !10, i64 24, !10, i64 32}
!26 = !{!14, !15, i64 0}
!27 = !{!14, !16, i64 32}
!28 = !{!15, !15, i64 0}
!29 = !{!16, !16, i64 0}
!30 = !{!31, !6, i64 0}
!31 = !{!"PepStr", !6, i64 0, !6, i64 4, !6, i64 8, !6, i64 12, !16, i64 16}
!32 = !{!31, !6, i64 4}
!33 = !{!18, !10, i64 8}
!34 = distinct !{!34, !35}
!35 = !{!"llvm.loop.mustprogress"}
!36 = distinct !{!36, !35}
!37 = distinct !{!37, !35}
!38 = distinct !{!38, !35}
!39 = distinct !{!39, !35}
!40 = distinct !{!40, !35}
!41 = distinct !{!41, !35}


; 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.FileStr = type { i32, [256 x i8] }
%struct.FileListStr = type { i32, [128 x [64 x i8]] }
%struct.SectionStr = type { i64, double, double, double, double, [20 x i8], %struct.WallStr, %struct.DynamicWallStr, %struct.ObstructionStr, %struct.TunnelStr, %struct.FlowStr }
%struct.WallStr = type { [20 x i8], [20 x i8], %struct.AtomStr }
%struct.AtomStr = type { ptr, ptr }
%struct.DynamicWallStr = type { [16 x i8], i32, i32, double, double, double, double, [4 x double] }
%struct.ObstructionStr = type { i32, i32, ptr, ptr, ptr }
%struct.TunnelStr = type { i32, double, double, double, %struct.AtomStr }
%struct.FlowStr = type { i32, %struct.ConstVStr, %struct.ForceStr, %struct.ChargeStr }
%struct.ConstVStr = type { [4 x double] }
%struct.ForceStr = type { [4 x double], ptr, ptr }
%struct.ChargeStr = type { i32, i32, ptr, ptr, ptr, ptr }
%struct.PepStr = type { i32, i32, i32, i32, double }

@.str = external hidden unnamed_addr constant [29 x i8], align 1
@stdout = external local_unnamed_addr global ptr, align 8
@.str.1 = external hidden unnamed_addr constant [5 x i8], align 1
@path = external global [1024 x i8], align 16
@files = external local_unnamed_addr global ptr, align 8
@.str.2 = external hidden unnamed_addr constant [2 x i8], align 1
@nPP = external local_unnamed_addr global i32, align 4
@.str.3 = external hidden unnamed_addr constant [18 x i8], align 1
@fileList = external local_unnamed_addr global ptr, align 8
@.str.4 = external hidden unnamed_addr constant [2 x i8], align 1
@.str.5 = external hidden unnamed_addr constant [116 x i8], align 1
@.str.6 = external hidden unnamed_addr constant [71 x i8], align 1
@sectInfo = external local_unnamed_addr global ptr, align 8
@.str.7 = external hidden unnamed_addr constant [3 x i8], align 1
@.str.8 = external hidden unnamed_addr constant [7 x i8], align 1
@.str.9 = external hidden unnamed_addr constant [9 x i8], align 1
@.str.10 = external hidden unnamed_addr constant [9 x i8], align 1
@boxCurtDim = external local_unnamed_addr global [4 x double], align 16
@numofprotein = external local_unnamed_addr global i32, align 4
@protein = external local_unnamed_addr global ptr, align 8
@atom = external local_unnamed_addr global ptr, align 8
@.str.11 = external hidden unnamed_addr constant [8 x i8], align 1

; Function Attrs: nounwind uwtable
define dso_local void @AdjustPBC(i32 noundef %0) local_unnamed_addr #0 {
  %2 = alloca [4 x double], align 16
  %3 = alloca [1024 x i8], align 16
  %4 = alloca [1024 x i8], align 16
  call void @llvm.lifetime.start.p0(i64 32, ptr nonnull %2) #7
  call void @llvm.lifetime.start.p0(i64 1024, ptr nonnull %3) #7
  call void @llvm.lifetime.start.p0(i64 1024, ptr nonnull %4) #7
  %5 = tail call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str)
  %6 = load ptr, ptr @stdout, align 8, !tbaa !5
  %7 = tail call i32 @fflush(ptr noundef %6)
  %8 = load ptr, ptr @files, align 8, !tbaa !5
  %9 = getelementptr inbounds i8, ptr %8, i64 64
  %10 = load ptr, ptr %9, align 8, !tbaa !5
  %11 = sext i32 %0 to i64
  %12 = getelementptr inbounds %struct.FileStr, ptr %10, i64 %11, i32 1
  %13 = call i32 (ptr, ptr, ...) @sprintf(ptr noundef nonnull dereferenceable(1) %3, ptr noundef nonnull dereferenceable(1) @.str.1, ptr noundef nonnull @path, ptr noundef nonnull %12) #7
  %14 = call noalias ptr @fopen(ptr noundef nonnull %3, ptr noundef nonnull @.str.2)
  %15 = load i32, ptr @nPP, align 4, !tbaa !9
  %.not = icmp eq i32 %15, 0
  br i1 %.not, label %19, label %16

16:                                               ; preds = %1
  %17 = call i32 (ptr, ptr, ...) @sprintf(ptr noundef nonnull dereferenceable(1) %3, ptr noundef nonnull dereferenceable(1) @.str.3, ptr noundef nonnull @path, i32 noundef %15) #7
  %18 = call noalias ptr @fopen(ptr noundef nonnull %3, ptr noundef nonnull @.str.2)
  br label %19

19:                                               ; preds = %16, %1
  %.083 = phi ptr [ %18, %16 ], [ null, %1 ]
  %20 = load ptr, ptr @fileList, align 8, !tbaa !5
  %21 = getelementptr inbounds %struct.FileListStr, ptr %20, i64 %11
  %22 = load i32, ptr %21, align 4, !tbaa !11
  %23 = icmp sgt i32 %22, 0
  br i1 %23, label %.lr.ph132, label %._crit_edge133

.lr.ph132:                                        ; preds = %19
  %rhsc = load i8, ptr @.str.8, align 1
  %rhsc93 = load i8, ptr @.str.9, align 1
  %rhsc95 = load i8, ptr @.str.10, align 1
  %24 = getelementptr inbounds i8, ptr %2, i64 8
  %25 = getelementptr inbounds i8, ptr %2, i64 24
  br label %30

._crit_edge133:                                   ; preds = %._crit_edge126, %19
  %26 = call i32 @fclose(ptr noundef %14)
  %27 = call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.11)
  %28 = load ptr, ptr @stdout, align 8, !tbaa !5
  %29 = call i32 @fflush(ptr noundef %28)
  call void @llvm.lifetime.end.p0(i64 1024, ptr nonnull %4) #7
  call void @llvm.lifetime.end.p0(i64 1024, ptr nonnull %3) #7
  call void @llvm.lifetime.end.p0(i64 32, ptr nonnull %2) #7
  ret void

30:                                               ; preds = %.lr.ph132, %._crit_edge126
  %indvars.iv159 = phi i64 [ 0, %.lr.ph132 ], [ %indvars.iv.next160, %._crit_edge126 ]
  %31 = phi ptr [ %20, %.lr.ph132 ], [ %154, %._crit_edge126 ]
  %.080130 = phi i32 [ 3, %.lr.ph132 ], [ %.2, %._crit_edge126 ]
  %.084128 = phi i32 [ 1, %.lr.ph132 ], [ %.185, %._crit_edge126 ]
  call void @llvm.memset.p0.i64(ptr noundef nonnull align 16 dereferenceable(1024) %4, i8 0, i64 1024, i1 false)
  %32 = load ptr, ptr @files, align 8, !tbaa !5
  %33 = getelementptr inbounds i8, ptr %32, i64 32
  %34 = load ptr, ptr %33, align 8, !tbaa !5
  %35 = getelementptr inbounds %struct.FileStr, ptr %34, i64 %11, i32 1
  %indvars.iv.next160 = add nuw nsw i64 %indvars.iv159, 1
  %36 = getelementptr inbounds %struct.FileListStr, ptr %31, i64 %11, i32 1, i64 %indvars.iv.next160
  call void @FindTargetFile(ptr noundef nonnull %35, ptr noundef nonnull %36, ptr noundef nonnull %4) #7
  %37 = call i32 (ptr, ptr, ...) @sprintf(ptr noundef nonnull dereferenceable(1) %3, ptr noundef nonnull dereferenceable(1) @.str.1, ptr noundef nonnull @path, ptr noundef nonnull %4) #7
  %38 = call noalias ptr @fopen(ptr noundef nonnull %3, ptr noundef nonnull @.str.4)
  %39 = icmp eq ptr %38, null
  br i1 %39, label %40, label %42

40:                                               ; preds = %30
  %41 = call i32 (ptr, ...) @printf(ptr noundef nonnull dereferenceable(1) @.str.5, ptr noundef nonnull %4, ptr noundef nonnull @path, ptr noundef nonnull @.str.6, i32 noundef 43)
  call void @exit(i32 noundef 1) #8
  unreachable

42:                                               ; preds = %30
  %43 = load ptr, ptr @sectInfo, align 8, !tbaa !5
  %44 = getelementptr inbounds %struct.SectionStr, ptr %43, i64 %indvars.iv159, i32 6
  %45 = call i32 @strcmp(ptr noundef nonnull dereferenceable(1) %44, ptr noundef nonnull dereferenceable(1) @.str.7) #9
  %.not91 = icmp eq i32 %45, 0
  br i1 %.not91, label %52, label %46

46:                                               ; preds = %42
  %47 = getelementptr inbounds i8, ptr %44, i64 20
  %lhsc = load i8, ptr %47, align 1
  %48 = icmp eq i8 %lhsc, %rhsc
  %spec.select = select i1 %48, i32 0, i32 %.080130
  %49 = icmp eq i8 %lhsc, %rhsc93
  br i1 %49, label %52, label %50

50:                                               ; preds = %46
  %51 = icmp eq i8 %lhsc, %rhsc95
  %spec.select103 = select i1 %51, i32 1, i32 %spec.select
  br label %52

52:                                               ; preds = %50, %46, %42
  %.185 = phi i32 [ %.084128, %42 ], [ 2, %46 ], [ %.084128, %50 ]
  %.2 = phi i32 [ %.080130, %42 ], [ %spec.select, %46 ], [ %spec.select103, %50 ]
  %53 = getelementptr inbounds %struct.SectionStr, ptr %43, i64 %indvars.iv159
  %54 = getelementptr inbounds i8, ptr %53, i64 8
  %55 = load double, ptr %54, align 8, !tbaa !13
  %56 = load i64, ptr %53, align 8, !tbaa !26
  %57 = sitofp i64 %56 to double
  %58 = fadd double %55, %57
  %59 = getelementptr inbounds i8, ptr %53, i64 32
  %60 = load double, ptr %59, align 8, !tbaa !27
  %61 = fdiv double %58, %60
  %62 = fadd double %61, 1.000000e+00
  %63 = fptosi double %62 to i64
  %64 = fdiv double %55, %60
  %65 = fptosi double %64 to i64
  %66 = icmp slt i64 %65, %63
  br i1 %66, label %.lr.ph125, label %._crit_edge126

.lr.ph125:                                        ; preds = %52
  %.not102107 = icmp slt i32 %.2, 1
  %67 = zext nneg i32 %.185 to i64
  %68 = zext nneg i32 %.2 to i64
  br label %69

69:                                               ; preds = %.lr.ph125, %151
  %.086123 = phi i64 [ %65, %.lr.ph125 ], [ %152, %151 ]
  %70 = call i32 @ReadGro(ptr noundef nonnull %38)
  %.not96 = icmp eq i32 %70, 0
  br i1 %.not96, label %71, label %._crit_edge126

71:                                               ; preds = %69
  call void @PrintProcess(i64 noundef %.086123) #7
  %72 = load <2 x double>, ptr getelementptr inbounds (i8, ptr @boxCurtDim, i64 8), align 8, !tbaa !28
  %73 = fmul <2 x double> %72, <double 5.000000e-01, double 5.000000e-01>
  store <2 x double> %73, ptr %24, align 8, !tbaa !28
  %74 = load double, ptr getelementptr inbounds (i8, ptr @boxCurtDim, i64 24), align 8, !tbaa !28
  %75 = fmul double %74, 5.000000e-01
  store double %75, ptr %25, align 8, !tbaa !28
  %76 = load i32, ptr @numofprotein, align 4, !tbaa !9
  %.not97119 = icmp slt i32 %76, 1
  br i1 %.not97119, label %._crit_edge122, label %.lr.ph

.lr.ph:                                           ; preds = %71
  %77 = load ptr, ptr @protein, align 8, !tbaa !5
  %78 = add nuw i32 %76, 1
  %wide.trip.count = zext i32 %78 to i64
  br label %80

._crit_edge122:                                   ; preds = %._crit_edge, %71
  call void @SaveGRO(ptr noundef %14)
  %79 = load i32, ptr @nPP, align 4, !tbaa !9
  %.not98 = icmp eq i32 %79, 0
  br i1 %.not98, label %151, label %150

80:                                               ; preds = %.lr.ph, %._crit_edge
  %indvars.iv154 = phi i64 [ 1, %.lr.ph ], [ %indvars.iv.next155, %._crit_edge ]
  %81 = getelementptr inbounds %struct.PepStr, ptr %77, i64 %indvars.iv154
  %82 = load i32, ptr %81, align 8, !tbaa !29
  %83 = getelementptr inbounds i8, ptr %81, i64 4
  %84 = load i32, ptr %83, align 4, !tbaa !31
  %85 = add nsw i32 %84, %82
  %86 = sitofp i32 %85 to double
  %87 = fmul double %86, 5.000000e-01
  %88 = fptosi double %87 to i32
  %.not99.not110 = icmp sgt i32 %84, %88
  br i1 %.not99.not110, label %.preheader104.lr.ph, label %.preheader106

.preheader104.lr.ph:                              ; preds = %80
  %89 = load ptr, ptr @atom, align 8
  br i1 %.not102107, label %._crit_edge, label %.preheader104.preheader

.preheader104.preheader:                          ; preds = %.preheader104.lr.ph
  %90 = sext i32 %88 to i64
  %91 = add nsw i64 %90, 1
  %92 = add i32 %84, 1
  br label %.preheader104

..loopexit105_crit_edge:                          ; preds = %122
  %indvars.iv.next138 = add nsw i64 %indvars.iv137, 1
  %indvars.iv.next140 = add nsw i64 %indvars.iv139, 1
  %lftr.wideiv = trunc i64 %indvars.iv.next138 to i32
  %exitcond.not = icmp eq i32 %92, %lftr.wideiv
  br i1 %exitcond.not, label %.preheader106, label %.preheader104, !llvm.loop !32

.preheader106:                                    ; preds = %..loopexit105_crit_edge, %80
  %.not100.not116 = icmp slt i32 %82, %88
  br i1 %.not100.not116, label %.preheader.lr.ph, label %._crit_edge

.preheader.lr.ph:                                 ; preds = %.preheader106
  %93 = load ptr, ptr @atom, align 8
  br i1 %.not102107, label %._crit_edge, label %.preheader.preheader

.preheader.preheader:                             ; preds = %.preheader.lr.ph
  %94 = sext i32 %88 to i64
  %95 = sext i32 %82 to i64
  br label %.preheader

.preheader104:                                    ; preds = %.preheader104.preheader, %..loopexit105_crit_edge
  %indvars.iv139 = phi i64 [ %90, %.preheader104.preheader ], [ %indvars.iv.next140, %..loopexit105_crit_edge ]
  %indvars.iv137 = phi i64 [ %91, %.preheader104.preheader ], [ %indvars.iv.next138, %..loopexit105_crit_edge ]
  %96 = getelementptr inbounds %struct.AtomStr, ptr %89, i64 %indvars.iv137, i32 1
  %97 = load ptr, ptr %96, align 8, !tbaa !34
  %98 = getelementptr inbounds i8, ptr %97, i64 16
  %99 = getelementptr inbounds %struct.AtomStr, ptr %89, i64 %indvars.iv139, i32 1
  %100 = load ptr, ptr %99, align 8, !tbaa !34
  %101 = getelementptr inbounds i8, ptr %100, i64 16
  br label %102

102:                                              ; preds = %.preheader104, %122
  %indvars.iv = phi i64 [ 1, %.preheader104 ], [ %indvars.iv.next, %122 ]
  %103 = getelementptr inbounds [4 x double], ptr %98, i64 0, i64 %indvars.iv
  %104 = load double, ptr %103, align 8, !tbaa !28
  %105 = getelementptr inbounds [4 x double], ptr %101, i64 0, i64 %indvars.iv
  %106 = load double, ptr %105, align 8, !tbaa !28
  %107 = fsub double %104, %106
  %108 = getelementptr inbounds [4 x double], ptr %2, i64 0, i64 %indvars.iv
  %109 = load double, ptr %108, align 8, !tbaa !28
  %110 = fcmp ogt double %107, %109
  br i1 %110, label %111, label %115

111:                                              ; preds = %102
  %112 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %indvars.iv
  %113 = load double, ptr %112, align 8, !tbaa !28
  %114 = fsub double %104, %113
  br label %.sink.split

115:                                              ; preds = %102
  %116 = fsub double %106, %104
  %117 = fcmp ogt double %116, %109
  br i1 %117, label %118, label %122

118:                                              ; preds = %115
  %119 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %indvars.iv
  %120 = load double, ptr %119, align 8, !tbaa !28
  %121 = fadd double %104, %120
  br label %.sink.split

.sink.split:                                      ; preds = %118, %111
  %.sink = phi double [ %114, %111 ], [ %121, %118 ]
  store double %.sink, ptr %103, align 8, !tbaa !28
  br label %122

122:                                              ; preds = %.sink.split, %115
  %indvars.iv.next = add nuw nsw i64 %indvars.iv, %67
  %.not102 = icmp ugt i64 %indvars.iv.next, %68
  br i1 %.not102, label %..loopexit105_crit_edge, label %102, !llvm.loop !35

..loopexit_crit_edge:                             ; preds = %149
  %.not100.not = icmp sgt i64 %indvars.iv147, %95
  %indvars.iv.next150 = add nsw i64 %indvars.iv149, -1
  br i1 %.not100.not, label %.preheader, label %._crit_edge, !llvm.loop !36

.preheader:                                       ; preds = %.preheader.preheader, %..loopexit_crit_edge
  %indvars.iv149 = phi i64 [ %94, %.preheader.preheader ], [ %indvars.iv.next150, %..loopexit_crit_edge ]
  %indvars.iv147.in = phi i64 [ %94, %.preheader.preheader ], [ %indvars.iv147, %..loopexit_crit_edge ]
  %indvars.iv147 = add nsw i64 %indvars.iv147.in, -1
  %123 = getelementptr inbounds %struct.AtomStr, ptr %93, i64 %indvars.iv147, i32 1
  %124 = load ptr, ptr %123, align 8, !tbaa !34
  %125 = getelementptr inbounds i8, ptr %124, i64 16
  %126 = getelementptr inbounds %struct.AtomStr, ptr %93, i64 %indvars.iv149, i32 1
  %127 = load ptr, ptr %126, align 8, !tbaa !34
  %128 = getelementptr inbounds i8, ptr %127, i64 16
  br label %129

._crit_edge:                                      ; preds = %..loopexit_crit_edge, %.preheader104.lr.ph, %.preheader.lr.ph, %.preheader106
  %indvars.iv.next155 = add nuw nsw i64 %indvars.iv154, 1
  %exitcond157.not = icmp eq i64 %indvars.iv.next155, %wide.trip.count
  br i1 %exitcond157.not, label %._crit_edge122, label %80, !llvm.loop !37

129:                                              ; preds = %.preheader, %149
  %indvars.iv144 = phi i64 [ 1, %.preheader ], [ %indvars.iv.next145, %149 ]
  %130 = getelementptr inbounds [4 x double], ptr %125, i64 0, i64 %indvars.iv144
  %131 = load double, ptr %130, align 8, !tbaa !28
  %132 = getelementptr inbounds [4 x double], ptr %128, i64 0, i64 %indvars.iv144
  %133 = load double, ptr %132, align 8, !tbaa !28
  %134 = fsub double %131, %133
  %135 = getelementptr inbounds [4 x double], ptr %2, i64 0, i64 %indvars.iv144
  %136 = load double, ptr %135, align 8, !tbaa !28
  %137 = fcmp ogt double %134, %136
  br i1 %137, label %138, label %142

138:                                              ; preds = %129
  %139 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %indvars.iv144
  %140 = load double, ptr %139, align 8, !tbaa !28
  %141 = fsub double %131, %140
  br label %.sink.split163

142:                                              ; preds = %129
  %143 = fsub double %133, %131
  %144 = fcmp ogt double %143, %136
  br i1 %144, label %145, label %149

145:                                              ; preds = %142
  %146 = getelementptr inbounds [4 x double], ptr @boxCurtDim, i64 0, i64 %indvars.iv144
  %147 = load double, ptr %146, align 8, !tbaa !28
  %148 = fadd double %131, %147
  br label %.sink.split163

.sink.split163:                                   ; preds = %145, %138
  %.sink164 = phi double [ %141, %138 ], [ %148, %145 ]
  store double %.sink164, ptr %130, align 8, !tbaa !28
  br label %149

149:                                              ; preds = %.sink.split163, %142
  %indvars.iv.next145 = add nuw nsw i64 %indvars.iv144, %67
  %.not101 = icmp ugt i64 %indvars.iv.next145, %68
  br i1 %.not101, label %..loopexit_crit_edge, label %129, !llvm.loop !38

150:                                              ; preds = %._crit_edge122
  call void @SaveGROMono(ptr noundef %.083)
  br label %151

151:                                              ; preds = %._crit_edge122, %150
  %152 = add i64 %.086123, 1
  %exitcond158.not = icmp eq i64 %152, %63
  br i1 %exitcond158.not, label %._crit_edge126, label %69, !llvm.loop !39

._crit_edge126:                                   ; preds = %151, %69, %52
  %153 = call i32 @fclose(ptr noundef nonnull %38)
  %154 = load ptr, ptr @fileList, align 8, !tbaa !5
  %155 = getelementptr inbounds %struct.FileListStr, ptr %154, i64 %11
  %156 = load i32, ptr %155, align 4, !tbaa !11
  %157 = sext i32 %156 to i64
  %158 = icmp slt i64 %indvars.iv.next160, %157
  br i1 %158, label %30, label %._crit_edge133, !llvm.loop !40
}

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.start.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: nofree nounwind
declare noundef i32 @printf(ptr nocapture noundef readonly, ...) local_unnamed_addr #2

; Function Attrs: nofree nounwind
declare noundef i32 @fflush(ptr nocapture noundef) local_unnamed_addr #2

; Function Attrs: nofree nounwind
declare noundef i32 @sprintf(ptr noalias nocapture noundef writeonly, ptr nocapture noundef readonly, ...) local_unnamed_addr #2

; Function Attrs: nofree nounwind
declare noalias noundef ptr @fopen(ptr nocapture noundef readonly, ptr nocapture noundef readonly) 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

declare void @FindTargetFile(ptr noundef, ptr noundef, ptr noundef) local_unnamed_addr #4

; Function Attrs: noreturn nounwind
declare void @exit(i32 noundef) local_unnamed_addr #5

; Function Attrs: mustprogress nofree nounwind willreturn memory(argmem: read)
declare i32 @strcmp(ptr nocapture noundef, ptr nocapture noundef) local_unnamed_addr #6

; Function Attrs: nounwind uwtable
declare dso_local i32 @ReadGro(ptr noundef) local_unnamed_addr #0

declare void @PrintProcess(i64 noundef) local_unnamed_addr #4

; Function Attrs: mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite)
declare void @llvm.lifetime.end.p0(i64 immarg, ptr nocapture) #1

; Function Attrs: nounwind uwtable
declare hidden void @SaveGRO(ptr noundef) local_unnamed_addr #0

; Function Attrs: nounwind uwtable
declare hidden void @SaveGROMono(ptr noundef) local_unnamed_addr #0

; Function Attrs: nofree nounwind
declare noundef i32 @fclose(ptr nocapture noundef) local_unnamed_addr #2

attributes #0 = { nounwind uwtable "min-legal-vector-width"="0" "no-trapping-math"="true" "stack-protector-buffer-size"="8" "target-cpu"="x86-64" "target-features"="+cmov,+cx8,+fxsr,+mmx,+sse,+sse2,+x87" "tune-cpu"="generic" }
attributes #1 = { mustprogress nocallback nofree nosync nounwind willreturn memory(argmem: readwrite) }
attributes #2 = { 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 #3 = { mustprogress nocallback nofree nounwind willreturn memory(argmem: write) }
attributes #4 = { "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 = { 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 #6 = { 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 #7 = { nounwind }
attributes #8 = { noreturn nounwind }
attributes #9 = { 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, !10, i64 0}
!12 = !{!"FileListStr", !10, i64 0, !7, i64 4}
!13 = !{!14, !16, i64 8}
!14 = !{!"SectionStr", !15, i64 0, !16, i64 8, !16, i64 16, !16, i64 24, !16, i64 32, !7, i64 40, !17, i64 64, !19, i64 120, !20, i64 208, !21, i64 240, !22, i64 288}
!15 = !{!"long", !7, i64 0}
!16 = !{!"double", !7, i64 0}
!17 = !{!"WallStr", !7, i64 0, !7, i64 20, !18, i64 40}
!18 = !{!"AtomStr", !6, i64 0, !6, i64 8}
!19 = !{!"DynamicWallStr", !7, i64 0, !10, i64 16, !10, i64 20, !16, i64 24, !16, i64 32, !16, i64 40, !16, i64 48, !7, i64 56}
!20 = !{!"ObstructionStr", !10, i64 0, !10, i64 4, !6, i64 8, !6, i64 16, !6, i64 24}
!21 = !{!"TunnelStr", !10, i64 0, !16, i64 8, !16, i64 16, !16, i64 24, !18, i64 32}
!22 = !{!"FlowStr", !10, i64 0, !23, i64 8, !24, i64 40, !25, i64 88}
!23 = !{!"ConstVStr", !7, i64 0}
!24 = !{!"ForceStr", !7, i64 0, !6, i64 32, !6, i64 40}
!25 = !{!"ChargeStr", !10, i64 0, !10, i64 4, !6, i64 8, !6, i64 16, !6, i64 24, !6, i64 32}
!26 = !{!14, !15, i64 0}
!27 = !{!14, !16, i64 32}
!28 = !{!16, !16, i64 0}
!29 = !{!30, !10, i64 0}
!30 = !{!"PepStr", !10, i64 0, !10, i64 4, !10, i64 8, !10, i64 12, !16, i64 16}
!31 = !{!30, !10, i64 4}
!32 = distinct !{!32, !33}
!33 = !{!"llvm.loop.mustprogress"}
!34 = !{!18, !6, i64 8}
!35 = distinct !{!35, !33}
!36 = distinct !{!36, !33}
!37 = distinct !{!37, !33}
!38 = distinct !{!38, !33}
!39 = distinct !{!39, !33}
!40 = distinct !{!40, !33}


; Effective O3 passes: BDCEPass,EarlyCSEPass,GVNPass,GlobalOptPass,IndVarSimplifyPass,InferFunctionAttrsPass,InstCombinePass,JumpThreadingPass,LICMPass,LoopInstSimplifyPass,LoopRotatePass,LoopSimplifyCFGPass,LoopSimplifyPass,LoopUnrollPass,ReassociatePass,SCCPPass,SLPVectorizerPass,SROAPass,SimplifyCFGPass,TailCallElimPass