OV - exec - Loop 80

0x40b120 MOV	-0x38(%RBP),%ECX    [3]

0x40b123 MOV	%EAX,%R8D

0x40b126 MOV	%R15D,%EDX

0x40b129 MOV	%R13,%RSI

0x40b12c MOV	%RBX,%RDI

0x40b12f CALL	40afe0 <moveAtom>

0x40b134 MOV	0x78(%RBX),%R9    [5]

0x40b138 CMP	%R15D,(%R9,%R14,1)    [1]

0x40b13c JLE	40b16c

0x40b13e MOV	-0x34(%RBP),%EAX    [3]

0x40b141 MOV	0x18(%R13),%R8    [4]

0x40b145 ADD	%R15D,%EAX

0x40b148 CLTQ

0x40b14a LEA	(%RAX,%RAX,2),%RDI

0x40b14e LEA	(%R8,%RDI,8),%RSI

0x40b152 MOV	%RBX,%RDI

0x40b155 CALL	40ae40 <getBoxFromCoord>

0x40b15a CMP	%R12D,%EAX

0x40b15d JNE	40b120

0x40b15f MOV	0x78(%RBX),%R9    [5]

0x40b163 INC	%R15D

0x40b166 CMP	%R15D,(%R9,%R14,1)    [2]

0x40b16a JG	40b13e

/home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c: 295 - 301

--------------------------------------------------------------------------------

295:       while (ii < boxes->nAtoms[iBox])

296:       {

297:          int jBox = getBoxFromCoord(boxes, atoms->r[iOff+ii]);

298:          if (jBox != iBox)

299:             moveAtom(boxes, atoms, ii, iBox, jBox);

300:          else

301:             ++ii;

Coverage (%)	Name	Source Location	Module
►85.38+	redistributeAtoms	timestep.c:148	exec
○	timestep	timestep.c:47	exec
○	main	CoMD.c:125	exec
►13.87+	redistributeAtoms	timestep.c:148	exec
○	timestep	timestep.c:47	exec
○	main	CoMD.c:125	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	CoMD.c:468	exec

min	med	avg	max

Percentile Index	10	20	30	40	50	60	70	80	90	100
Value

min	med	avg	max

Percentile Index	10	20	30	40	50	60	70	80	90	100
Value

Path /

Metric	Value
CQA speedup if no scalar integer	1.00
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	15.09
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.30
Bottlenecks
Function	updateLinkCells
Source	linkCells.c:295-301
Source loop unroll info	not unrolled or unrolled with no peel/tail loop
Source loop unroll confidence level	max
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	2.00
CQA cycles if no scalar integer	2.00
CQA cycles if FP arith vectorized	2.00
CQA cycles if fully vectorized	0.13
Front-end cycles	2.00
P0 cycles	1.33
P1 cycles	1.33
P2 cycles	1.33
P3 cycles	1.33
P4 cycles	1.33
P5 cycles	1.33
P6 cycles	1.50
P7 cycles	1.50
P8 cycles	1.50
P9 cycles	1.50
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.00
P13 cycles	0.00
P14 cycles	0.00
P15 cycles	0.00
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	16.50
Nb uops	16.00
Nb loads	4.50
Nb stores	0.00
Nb stack references	1.50
FLOP/cycle	0.00
Nb FLOP add-sub	0.00
Nb FLOP mul	0.00
Nb FLOP fma	0.00
Nb FLOP div	0.00
Nb FLOP rcp	0.00
Nb FLOP sqrt	0.00
Nb FLOP rsqrt	0.00
Bytes/cycle	13.28
Bytes prefetched	0.00
Bytes loaded	26.00
Bytes stored	0.00
Stride 0	3.00
Stride 1	0.00
Stride n	0.00
Stride unknown	1.00
Stride indirect	0.00
Vectorization ratio all	0.00
Vectorization ratio load	0.00
Vectorization ratio store	NA
Vectorization ratio mul	NA
Vectorization ratio add_sub	NA
Vectorization ratio fma	NA
Vectorization ratio div_sqrt	NA
Vectorization ratio other	0.00
Vector-efficiency ratio all	9.06
Vector-efficiency ratio load	6.25
Vector-efficiency ratio store	NA
Vector-efficiency ratio mul	NA
Vector-efficiency ratio add_sub	NA
Vector-efficiency ratio fma	NA
Vector-efficiency ratio div_sqrt	NA
Vector-efficiency ratio other	9.38

Metric	Value
CQA speedup if no scalar integer	1.00
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	14.93
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.22
Bottlenecks	micro-operation queue,
Function	updateLinkCells
Source	linkCells.c:295-301
Source loop unroll info	not unrolled or unrolled with no peel/tail loop
Source loop unroll confidence level	max
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	1.63
CQA cycles if no scalar integer	1.63
CQA cycles if FP arith vectorized	1.63
CQA cycles if fully vectorized	0.11
Front-end cycles	1.63
P0 cycles	1.33
P1 cycles	1.33
P2 cycles	1.33
P3 cycles	1.33
P4 cycles	1.33
P5 cycles	1.33
P6 cycles	1.25
P7 cycles	1.25
P8 cycles	1.25
P9 cycles	1.25
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.00
P13 cycles	0.00
P14 cycles	0.00
P15 cycles	0.00
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	14.00
Nb uops	13.00
Nb loads	4.00
Nb stores	0.00
Nb stack references	1.00
FLOP/cycle	0.00
Nb FLOP add-sub	0.00
Nb FLOP mul	0.00
Nb FLOP fma	0.00
Nb FLOP div	0.00
Nb FLOP rcp	0.00
Nb FLOP sqrt	0.00
Nb FLOP rsqrt	0.00
Bytes/cycle	14.77
Bytes prefetched	0.00
Bytes loaded	24.00
Bytes stored	0.00
Stride 0	3.00
Stride 1	0.00
Stride n	0.00
Stride unknown	1.00
Stride indirect	0.00
Vectorization ratio all	0.00
Vectorization ratio load	NA
Vectorization ratio store	NA
Vectorization ratio mul	NA
Vectorization ratio add_sub	NA
Vectorization ratio fma	NA
Vectorization ratio div_sqrt	NA
Vectorization ratio other	0.00
Vector-efficiency ratio all	9.38
Vector-efficiency ratio load	NA
Vector-efficiency ratio store	NA
Vector-efficiency ratio mul	NA
Vector-efficiency ratio add_sub	NA
Vector-efficiency ratio fma	NA
Vector-efficiency ratio div_sqrt	NA
Vector-efficiency ratio other	9.38

Metric	Value
CQA speedup if no scalar integer	1.00
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	15.20
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.36
Bottlenecks	micro-operation queue,
Function	updateLinkCells
Source	linkCells.c:295-301
Source loop unroll info	not unrolled or unrolled with no peel/tail loop
Source loop unroll confidence level	max
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	2.38
CQA cycles if no scalar integer	2.38
CQA cycles if FP arith vectorized	2.38
CQA cycles if fully vectorized	0.16
Front-end cycles	2.38
P0 cycles	1.33
P1 cycles	1.33
P2 cycles	1.33
P3 cycles	1.33
P4 cycles	1.33
P5 cycles	1.33
P6 cycles	1.75
P7 cycles	1.75
P8 cycles	1.75
P9 cycles	1.75
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.00
P13 cycles	0.00
P14 cycles	0.00
P15 cycles	0.00
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	19.00
Nb uops	19.00
Nb loads	5.00
Nb stores	0.00
Nb stack references	2.00
FLOP/cycle	0.00
Nb FLOP add-sub	0.00
Nb FLOP mul	0.00
Nb FLOP fma	0.00
Nb FLOP div	0.00
Nb FLOP rcp	0.00
Nb FLOP sqrt	0.00
Nb FLOP rsqrt	0.00
Bytes/cycle	11.79
Bytes prefetched	0.00
Bytes loaded	28.00
Bytes stored	0.00
Stride 0	3.00
Stride 1	0.00
Stride n	0.00
Stride unknown	1.00
Stride indirect	0.00
Vectorization ratio all	0.00
Vectorization ratio load	0.00
Vectorization ratio store	NA
Vectorization ratio mul	NA
Vectorization ratio add_sub	NA
Vectorization ratio fma	NA
Vectorization ratio div_sqrt	NA
Vectorization ratio other	0.00
Vector-efficiency ratio all	8.75
Vector-efficiency ratio load	6.25
Vector-efficiency ratio store	NA
Vector-efficiency ratio mul	NA
Vector-efficiency ratio add_sub	NA
Vector-efficiency ratio fma	NA
Vector-efficiency ratio div_sqrt	NA
Vector-efficiency ratio other	9.38

Path /

Average path: Display a virtual path defined by average values of all real paths

Function	updateLinkCells
Source file and lines	linkCells.c:295-301
Module	exec

The loop is defined in /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:295-301.

The related source loop is not unrolled or unrolled with no peel/tail loop.
The structure of this loop is probably <if then [else] end>.

The presence of multiple execution paths is typically the main/first bottleneck.
Try to simplify control inside loop: ideally, try to remove all conditional expressions, for example by (if applicable):

hoisting them (moving them outside the loop)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

gain
potential
hint
expert

Vectorization

Your loop is not vectorized. Only 9% of vector register length is used (average across all SSE/AVX instructions). By vectorizing your loop, you can lower the cost of an iteration from 2.00 to 0.13 cycles (15.09x speedup).

Details

All SSE/AVX instructions are used in scalar version (process only one data element in vector registers). Since your execution units are vector units, only a vectorized loop can use their full power.

Workaround

Try another compiler or update/tune your current one:
- recompile with ftree-vectorize (included in O3) to enable loop vectorization (including FP reductions).
Remove inter-iterations dependences from your loop and make it unit-stride:
- If your arrays have 2 or more dimensions, check whether elements are accessed contiguously and, otherwise, try to permute loops accordingly: C storage order is row-major: for(i) for(j) a[j][i] = b[j][i]; (slow, non stride 1) => for(i) for(j) a[i][j] = b[i][j]; (fast, stride 1)
- If your loop streams arrays of structures (AoS), try to use structures of arrays instead (SoA): for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)

No data for this section

CALL instructions

Detected function call instructions.

Details

Calling (and then returning from) a function prevents many compiler optimizations (like vectorization), breaks control flow (which reduces pipeline performance) and executes extra instructions to save/restore the registers used inside it, which is very expensive (dozens of cycles). Consider to inline small functions.

getBoxFromCoord: 0 occurrences

Slow data structures access

Detected data structures (typically arrays) that cannot be efficiently read/written

Details

Constant unknown stride: 1 occurrence(s)

Non-unit stride (uncontiguous) accesses are not efficiently using data caches

Workaround

Try to reorganize arrays of structures to structures of arrays
Consider to permute loops (see vectorization gain report)

Conversion instructions

Detected expensive conversion instructions.

Details

CLTQ: 0 occurrences

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

No instructions are processing arithmetic or math operations on FP elements. This loop is probably writing/copying data or processing integer elements.

Matching between your loop (in the source code) and the binary loop

The binary loop does not contain any FP arithmetical operations. The binary loop is loading 26 bytes.

Unroll opportunity

Loop is data access bound.

Workaround

Unroll your loop if trip count is significantly higher than target unroll factor and if some data references are common to consecutive iterations. This can be done manually. Or by recompiling with -funroll-loops and/or -floop-unroll-and-jam. Or with the unroll (resp. unroll_and_jam) directive on top of the inner (resp. surrounding) loop. You can enforce an unroll factor: #pragma GCC unroll N

General properties

nb instructions	16.50
nb uops	16
loop length	54.50
used x86 registers	12
used mmx registers	0
used xmm registers	0
used ymm registers	0
used zmm registers	0
nb stack references	1.50

Front-end

MACRO FUSION NOT POSSIBLE

micro-operation queue	2.00 cycles
front end	2.00 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	1.33	1.33	1.33	1.33	1.33	1.33	1.50	1.50	1.50	1.50	0.00	0.00	0.00	0.00	0.00	0.00
cycles	1.33	1.33	1.33	1.33	1.33	1.33	1.50	1.50	1.50	1.50	0.00	0.00	0.00	0.00	0.00	0.00

Execution ports to units layout:

P0: ALU
P1: ALU
P2: ALU
P3: ALU, BRU
P4: ALU, BRU
P5: ALU, BRU
P6 (512 bits): store address, load
P7 (512 bits): store address, load
P8 (512 bits): store address, load
P9 (512 bits): store address, load
P10 (512 bits): VPU, DIV/SQRT
P11 (512 bits): VPU, DIV/SQRT
P12 (512 bits): VPU
P13 (512 bits): VPU
P14 (512 bits): FP store data
P15 (512 bits): FP store data

Cycles executing div or sqrt instructions	NA
Longest recurrence chain latency (RecMII)	1.00

Cycles summary

Front-end	2.00
Dispatch	1.54
Data deps.	1.00
Overall L1	2.00

Vectorization ratios

all	0%
load	0%
store	NA (no store vectorizable/vectorized instructions)
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Vector efficiency ratios

all	9%
load	6%
store	NA (no store vectorizable/vectorized instructions)
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	9%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 2.00 cycles. At this rate:

5% of peak load performance is reached (13.28 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))

Function	updateLinkCells
Source file and lines	linkCells.c:295-301
Module	exec

The loop is defined in /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:295-301.

The related source loop is not unrolled or unrolled with no peel/tail loop.
The structure of this loop is probably <if then [else] end>.

The presence of multiple execution paths is typically the main/first bottleneck.
Try to simplify control inside loop: ideally, try to remove all conditional expressions, for example by (if applicable):

hoisting them (moving them outside the loop)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

gain
potential
hint
expert

Vectorization

Your loop is not vectorized. Only 9% of vector register length is used (average across all SSE/AVX instructions). By vectorizing your loop, you can lower the cost of an iteration from 1.63 to 0.11 cycles (14.93x speedup).

Details

All SSE/AVX instructions are used in scalar version (process only one data element in vector registers). Since your execution units are vector units, only a vectorized loop can use their full power.

Workaround

Try another compiler or update/tune your current one:
- recompile with ftree-vectorize (included in O3) to enable loop vectorization (including FP reductions).
Remove inter-iterations dependences from your loop and make it unit-stride:
- If your arrays have 2 or more dimensions, check whether elements are accessed contiguously and, otherwise, try to permute loops accordingly: C storage order is row-major: for(i) for(j) a[j][i] = b[j][i]; (slow, non stride 1) => for(i) for(j) a[i][j] = b[i][j]; (fast, stride 1)
- If your loop streams arrays of structures (AoS), try to use structures of arrays instead (SoA): for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)

Execution units bottlenecks

Found no such bottlenecks but see expert reports for more complex bottlenecks.

No data for this section

CALL instructions

Detected function call instructions.

Details

Calling (and then returning from) a function prevents many compiler optimizations (like vectorization), breaks control flow (which reduces pipeline performance) and executes extra instructions to save/restore the registers used inside it, which is very expensive (dozens of cycles). Consider to inline small functions.

getBoxFromCoord: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:297

Slow data structures access

Detected data structures (typically arrays) that cannot be efficiently read/written

Details

Constant unknown stride: 1 occurrence(s)

Non-unit stride (uncontiguous) accesses are not efficiently using data caches

Workaround

Try to reorganize arrays of structures to structures of arrays
Consider to permute loops (see vectorization gain report)

Conversion instructions

Detected expensive conversion instructions.

Details

CLTQ: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:297

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

No instructions are processing arithmetic or math operations on FP elements. This loop is probably writing/copying data or processing integer elements.

Matching between your loop (in the source code) and the binary loop

The binary loop does not contain any FP arithmetical operations. The binary loop is loading 24 bytes.

Unroll opportunity

Loop is potentially data access bound.

Workaround

Unroll your loop if trip count is significantly higher than target unroll factor and if some data references are common to consecutive iterations. This can be done manually. Or by recompiling with -funroll-loops and/or -floop-unroll-and-jam. Or with the unroll (resp. unroll_and_jam) directive on top of the inner (resp. surrounding) loop. You can enforce an unroll factor: #pragma GCC unroll N

General properties

nb instructions	14
nb uops	13
loop length	46
used x86 registers	11
used mmx registers	0
used xmm registers	0
used ymm registers	0
used zmm registers	0
nb stack references	1

Front-end

ASSUMED MACRO FUSION FIT IN UOP CACHE

micro-operation queue	1.63 cycles
front end	1.63 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	1.33	1.33	1.33	1.33	1.33	1.33	1.25	1.25	1.25	1.25	0.00	0.00	0.00	0.00	0.00	0.00
cycles	1.33	1.33	1.33	1.33	1.33	1.33	1.25	1.25	1.25	1.25	0.00	0.00	0.00	0.00	0.00	0.00

Execution ports to units layout:

P0: ALU
P1: ALU
P2: ALU
P3: ALU, BRU
P4: ALU, BRU
P5: ALU, BRU
P6 (512 bits): store address, load
P7 (512 bits): store address, load
P8 (512 bits): store address, load
P9 (512 bits): store address, load
P10 (512 bits): VPU, DIV/SQRT
P11 (512 bits): VPU, DIV/SQRT
P12 (512 bits): VPU
P13 (512 bits): VPU
P14 (512 bits): FP store data
P15 (512 bits): FP store data

Cycles executing div or sqrt instructions	NA
Longest recurrence chain latency (RecMII)	1.00

Cycles summary

Front-end	1.63
Dispatch	1.33
Data deps.	1.00
Overall L1	1.63

Vectorization ratios

all	0%
load	NA (no load vectorizable/vectorized instructions)
store	NA (no store vectorizable/vectorized instructions)
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Vector efficiency ratios

all	9%
load	NA (no load vectorizable/vectorized instructions)
store	NA (no store vectorizable/vectorized instructions)
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	9%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 1.63 cycles. At this rate:

5% of peak load performance is reached (14.77 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))

Front-end bottlenecks

Performance is limited by instruction throughput (loading/decoding program instructions to execution core) (front-end is a bottleneck). By removing all these bottlenecks, you can lower the cost of an iteration from 1.63 to 1.33 cycles (1.22x speedup).

ASM code

In the binary file, the address of the loop is: 40b13e

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
MOV -0x34(%RBP),%EAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV 0x18(%R13),%R8	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
ADD %R15D,%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.17	N/A
CLTQ																				scal (12.5%)
LEA (%RAX,%RAX,2),%RDI	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
LEA (%R8,%RDI,8),%RSI	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
MOV %RBX,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40ae40 <getBoxFromCoord>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
CMP %R12D,%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.17	scal (6.3%)
JNE 40b120 <updateLinkCells+0x90>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV 0x78(%RBX),%R9	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
INC %R15D	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.17	N/A
CMP %R15D,(%R9,%R14,1)	1	0.17	0.17	0.17	0.17	0.17	0.17	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.25	N/A
JG 40b13e <updateLinkCells+0xae>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50-1	N/A

Function	updateLinkCells
Source file and lines	linkCells.c:295-301
Module	exec

The loop is defined in /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:295-301.

The related source loop is not unrolled or unrolled with no peel/tail loop.
The structure of this loop is probably <if then [else] end>.

The presence of multiple execution paths is typically the main/first bottleneck.
Try to simplify control inside loop: ideally, try to remove all conditional expressions, for example by (if applicable):

hoisting them (moving them outside the loop)
turning them into conditional moves, MIN or MAX

Ex: if (x<0) x=0 => x = (x<0 ? 0 : x) (or MAX(0,x) after defining the corresponding macro)

gain
potential
hint
expert

Vectorization

Your loop is not vectorized. Only 8% of vector register length is used (average across all SSE/AVX instructions). By vectorizing your loop, you can lower the cost of an iteration from 2.38 to 0.16 cycles (15.20x speedup).

Details

All SSE/AVX instructions are used in scalar version (process only one data element in vector registers). Since your execution units are vector units, only a vectorized loop can use their full power.

Workaround

Try another compiler or update/tune your current one:
- recompile with ftree-vectorize (included in O3) to enable loop vectorization (including FP reductions).
Remove inter-iterations dependences from your loop and make it unit-stride:
- If your arrays have 2 or more dimensions, check whether elements are accessed contiguously and, otherwise, try to permute loops accordingly: C storage order is row-major: for(i) for(j) a[j][i] = b[j][i]; (slow, non stride 1) => for(i) for(j) a[i][j] = b[i][j]; (fast, stride 1)
- If your loop streams arrays of structures (AoS), try to use structures of arrays instead (SoA): for(i) a[i].x = b[i].x; (slow, non stride 1) => for(i) a.x[i] = b.x[i]; (fast, stride 1)

Execution units bottlenecks

Found no such bottlenecks but see expert reports for more complex bottlenecks.

No data for this section

CALL instructions

Detected function call instructions.

Details

Calling (and then returning from) a function prevents many compiler optimizations (like vectorization), breaks control flow (which reduces pipeline performance) and executes extra instructions to save/restore the registers used inside it, which is very expensive (dozens of cycles). Consider to inline small functions.

getBoxFromCoord: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:297
moveAtom: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:299

Slow data structures access

Detected data structures (typically arrays) that cannot be efficiently read/written

Details

Constant unknown stride: 1 occurrence(s)

Non-unit stride (uncontiguous) accesses are not efficiently using data caches

Workaround

Try to reorganize arrays of structures to structures of arrays
Consider to permute loops (see vectorization gain report)

Conversion instructions

Detected expensive conversion instructions.

Details

CLTQ: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/174-043-3878/intel/CoMD/build/CoMD/CoMD/src-openmp/linkCells.c:297

Workaround

Avoid mixing data with different types. In particular, check if the type of constants is the same as array elements.

Type of elements and instruction set

No instructions are processing arithmetic or math operations on FP elements. This loop is probably writing/copying data or processing integer elements.

Matching between your loop (in the source code) and the binary loop

The binary loop does not contain any FP arithmetical operations. The binary loop is loading 28 bytes.

Unroll opportunity

Loop is data access bound.

Workaround

Unroll your loop if trip count is significantly higher than target unroll factor and if some data references are common to consecutive iterations. This can be done manually. Or by recompiling with -funroll-loops and/or -floop-unroll-and-jam. Or with the unroll (resp. unroll_and_jam) directive on top of the inner (resp. surrounding) loop. You can enforce an unroll factor: #pragma GCC unroll N

General properties

nb instructions	19
nb uops	19
loop length	63
used x86 registers	13
used mmx registers	0
used xmm registers	0
used ymm registers	0
used zmm registers	0
nb stack references	2

Front-end

ASSUMED MACRO FUSION FIT IN UOP CACHE

micro-operation queue	2.38 cycles
front end	2.38 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	1.33	1.33	1.33	1.33	1.33	1.33	1.75	1.75	1.75	1.75	0.00	0.00	0.00	0.00	0.00	0.00
cycles	1.33	1.33	1.33	1.33	1.33	1.33	1.75	1.75	1.75	1.75	0.00	0.00	0.00	0.00	0.00	0.00

Execution ports to units layout:

P0: ALU
P1: ALU
P2: ALU
P3: ALU, BRU
P4: ALU, BRU
P5: ALU, BRU
P6 (512 bits): store address, load
P7 (512 bits): store address, load
P8 (512 bits): store address, load
P9 (512 bits): store address, load
P10 (512 bits): VPU, DIV/SQRT
P11 (512 bits): VPU, DIV/SQRT
P12 (512 bits): VPU
P13 (512 bits): VPU
P14 (512 bits): FP store data
P15 (512 bits): FP store data

Cycles executing div or sqrt instructions	NA
Longest recurrence chain latency (RecMII)	1.00

Cycles summary

Front-end	2.38
Dispatch	1.75
Data deps.	1.00
Overall L1	2.38

Vectorization ratios

all	0%
load	0%
store	NA (no store vectorizable/vectorized instructions)
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Vector efficiency ratios

all	8%
load	6%
store	NA (no store vectorizable/vectorized instructions)
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	9%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 2.38 cycles. At this rate:

4% of peak load performance is reached (11.79 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))

Front-end bottlenecks

Performance is limited by instruction throughput (loading/decoding program instructions to execution core) (front-end is a bottleneck). By removing all these bottlenecks, you can lower the cost of an iteration from 2.38 to 1.75 cycles (1.36x speedup).

ASM code

In the binary file, the address of the loop is: 40b13e

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
MOV -0x38(%RBP),%ECX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	scal (6.3%)
MOV %EAX,%R8D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
MOV %R15D,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %R13,%RSI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
MOV %RBX,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40afe0 <moveAtom>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
MOV 0x78(%RBX),%R9	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
CMP %R15D,(%R9,%R14,1)	1	0.17	0.17	0.17	0.17	0.17	0.17	0.25	0.25	0.25	0.25	0	0	0	0	0	0	1	0.25	scal (6.3%)
JLE 40b16c <updateLinkCells+0xdc>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV -0x34(%RBP),%EAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
MOV 0x18(%R13),%R8	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	0	3	0.25	N/A
ADD %R15D,%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.17	N/A
CLTQ																				scal (12.5%)
LEA (%RAX,%RAX,2),%RDI	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
LEA (%R8,%RDI,8),%RSI	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.25	N/A
MOV %RBX,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	N/A
CALL 40ae40 <getBoxFromCoord>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0	0	0.50	N/A
CMP %R12D,%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	0	1	0.17	N/A
JNE 40b120 <updateLinkCells+0x90>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	1	0.50-1	N/A

Report Configuration

Vectorization

Details

Workaround

CALL instructions

Details

Slow data structures access

Details

Workaround

Conversion instructions

Details

Workaround

Type of elements and instruction set

Matching between your loop (in the source code) and the binary loop

Unroll opportunity

Workaround

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Vectorization

Details

Workaround

Execution units bottlenecks

CALL instructions

Details

Slow data structures access

Details

Workaround

Conversion instructions

Details

Workaround

Type of elements and instruction set

Matching between your loop (in the source code) and the binary loop

Unroll opportunity

Workaround

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code

Vectorization

Details

Workaround

Execution units bottlenecks

CALL instructions

Details

Slow data structures access

Details

Workaround

Conversion instructions

Details

Workaround

Type of elements and instruction set

Matching between your loop (in the source code) and the binary loop

Unroll opportunity

Workaround

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code