OV - exec - Loop 102

	Loop Id: 102	Module: exec	Source: NonLocalPP.hpp:126-135 [...]	Coverage: 0.04%

0x413ce0 INC	%R14

0x413ce3 CMP	%R14,0x260(%RAX)

0x413cea JBE	413c80

0x413cec MOV	(%R15),%RCX

0x413cef MOVSD	(%RCX,%R14,8),%XMM0

0x413cf5 UCOMISD	(%R12),%XMM0

0x413cfb JAE	413ce0

0x413cfd MOV	0x13f0(%R12),%RCX

0x413d05 SUB	0x13e8(%R12),%RCX

0x413d0d SHR	$0x3,%RCX

0x413d11 IMUL	$-0x55555555,%ECX,%ECX

0x413d17 TEST	%ECX,%ECX

0x413d19 JLE	413ddd

0x413d1f MOV	$0x10,%EAX

0x413d24 MOV	-0x38(%RBP),%RCX

0x413d28 LEA	(%RCX,%RCX,2),%RCX

0x413d2c XOR	%EDX,%EDX

0x413d2e MOV	-0x30(%RBP),%R9

0x413d32 NOPW	%CS:(%RAX,%RAX,1)

  (103) 0x413d40 MOV	(%R15),%RDI

  (103) 0x413d43 MOVSD	(%RDI,%R14,8),%XMM0

  (103) 0x413d49 MOVSD	(%R9,%RAX,1),%XMM1

  (103) 0x413d4f MULSD	%XMM0,%XMM1

  (103) 0x413d53 MOV	(%RBX),%R10

  (103) 0x413d56 MOVSXD	-0x10(%RBX),%RDI

  (103) 0x413d5a LEA	(%R14,%RDI,2),%R8

  (103) 0x413d5e ADDSD	(%R10,%R8,8),%XMM1

  (103) 0x413d64 ADD	%R14,%RDI

  (103) 0x413d67 MOVSD	(%R10,%R14,8),%XMM2

  (103) 0x413d6d MOVHPD	(%R10,%RDI,8),%XMM2

  (103) 0x413d73 MOV	0x40(%RSI),%RDI

  (103) 0x413d77 ADDSD	0x10(%RDI,%RCX,8),%XMM1

  (103) 0x413d7d MOVUPD	-0x10(%R9,%RAX,1),%XMM3

  (103) 0x413d84 UNPCKLPD	%XMM0,%XMM0

  (103) 0x413d88 MULPD	%XMM3,%XMM0

  (103) 0x413d8c MOVUPD	(%RDI,%RCX,8),%XMM3

  (103) 0x413d91 MOV	-0x60(%RBP),%RDI

  (103) 0x413d95 ADDPD	%XMM2,%XMM3

  (103) 0x413d99 ADDPD	%XMM0,%XMM3

  (103) 0x413d9d MOVUPD	%XMM3,-0x10(%RDI,%RAX,1)

  (103) 0x413da3 MOVSD	%XMM1,(%RDI,%RAX,1)

  (103) 0x413da8 INC	%RDX

  (103) 0x413dab MOV	0x13f0(%R12),%RDI

  (103) 0x413db3 SUB	0x13e8(%R12),%RDI

  (103) 0x413dbb SHR	$0x3,%RDI

  (103) 0x413dbf IMUL	$-0x55555555,%EDI,%EDI

  (103) 0x413dc5 MOVSXD	%EDI,%RDI

  (103) 0x413dc8 ADD	$0x18,%RAX

  (103) 0x413dcc CMP	%RDI,%RDX

  (103) 0x413dcf JL	413d40

0x413dd5 MOV	0x1418(%R12),%RAX

0x413ddd MOV	0x18(%RAX),%RAX

0x413de1 MOVSXD	(%RAX,%R14,4),%RAX

0x413de5 MOV	0x1400(%R12),%RCX

0x413ded MOV	(%RCX,%RAX,8),%R13

0x413df1 MOV	%R13,%RDI

0x413df4 MOV	-0x38(%RBP),%RDX

0x413df8 LEA	-0x60(%RBP),%RCX

0x413dfc MOV	$0x1,%R8D

0x413e02 MOV	%R14D,%R9D

0x413e05 CALL	4052e0 <@plt>

0x413e0a MOV	-0xa0(%RBP),%RDI

0x413e11 MOV	%R13,%RSI

0x413e14 LEA	-0x90(%RBP),%RDX

0x413e1b CALL	4055f0 <@plt>

0x413e20 MOV	0x1418(%R12),%RAX

0x413e28 MOV	-0x98(%RBP),%RSI

0x413e2f JMP	413ce0

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h: 145 - 170

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

145:       X[i] = base[i * offset];

[...]

170:   inline const Type_t& operator[](unsigned int i) const { return X[i]; }

/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 919 - 1046

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

919:       { return size_type(this->_M_impl._M_finish - this->_M_impl._M_start); }

[...]

1046: 	return *(this->_M_impl._M_start + __n);

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 229 - 229

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

229:     return X[i];

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp: 126 - 135

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

126:       for (int iat = 0; iat < ions_ref.getTotalNum(); ++iat)

127:       {

128:         //due to < Rmax condition, the actually iteration iat is [0,2] in a real simulation

129:         if (dist[iat] < Rmax)

130:         {

131:           for (int k = 0; k < size(); k++)

132:             virtualPos[k] = dist[iat] * rOnSphere[k] + displ[iat] + els.R[jel];

133:           auto& VP = *VPs[ions_ref.GroupID[iat]];

134:           VP.makeMoves(els, jel, virtualPos, true, iat);

135:           wf.evaluateRatios(VP, ratios);

/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/unique_ptr.h: 173 - 173

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

173:       pointer    _M_ptr() const { return std::get<0>(_M_t); }

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h: 43 - 63

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

43:     return (a + b);

[...]

63:     return (a * b);

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 231 - 231

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

231:   inline const AoSElement_t operator[](size_t i) const { return AoSElement_t(myData + i, nGhosts); }

Coverage (%)	Name	Source Location	Module
►94.96+	main.extracted.107	NewTimer.h:249	exec
○	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.so
○	__kmp_launch_thread		libiomp5.so
○	_INTERNALea951ae6::__kmp_launc[...]		libiomp5.so
○	start_thread		libc.so.6
○	__GI___clone3		libc.so.6
►2.61+	main.extracted.107	NewTimer.h:249	exec
○	__kmp_invoke_microtask		libiomp5.so
○	__kmp_invoke_task_func		libiomp5.so
○	__kmp_fork_call		libiomp5.so
○	__kmpc_fork_call		libiomp5.so
○	main	miniqmc.cpp:411	exec
○	__libc_start_call_main		libc.so.6
○	__libc_start_main		libc.so.6
○	_start	stl_uninitialized.h:99	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	3.08
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	11.03
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.06
Bottlenecks
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	TinyVector.h:170-170,stl_vector.h:919-919,stl_vector.h:1046-1046,OhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:173-173
Source loop unroll info	NA
Source loop unroll confidence level	NA
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	3.33
CQA cycles if no scalar integer	1.08
CQA cycles if FP arith vectorized	3.33
CQA cycles if fully vectorized	0.30
Front-end cycles	3.33
P0 cycles	2.11
P1 cycles	2.11
P2 cycles	2.11
P3 cycles	2.11
P4 cycles	2.11
P5 cycles	2.11
P6 cycles	3.25
P7 cycles	3.25
P8 cycles	3.25
P9 cycles	3.25
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.50
P13 cycles	0.50
P14 cycles	0.50
P15 cycles	0.50
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	24.67
Nb uops	26.67
Nb loads	11.67
Nb stores	0.00
Nb stack references	3.67
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	28.42
Bytes prefetched	0.00
Bytes loaded	90.67
Bytes stored	0.00
Stride 0	NA
Stride 1	NA
Stride n	NA
Stride unknown	NA
Stride indirect	NA
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	11.64
Vector-efficiency ratio load	12.50
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	10.91

Metric	Value
CQA speedup if no scalar integer	1.00
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	8.00
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.50
Bottlenecks	micro-operation queue, P6, P7, P8, P9,
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	TinyVector.h:170-170,stl_vector.h:919-919,stl_vector.h:1046-1046,OhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:173-173
Source loop unroll info	NA
Source loop unroll confidence level	NA
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	1.00
CQA cycles if no scalar integer	1.00
CQA cycles if FP arith vectorized	1.00
CQA cycles if fully vectorized	0.13
Front-end cycles	1.00
P0 cycles	0.67
P1 cycles	0.67
P2 cycles	0.67
P3 cycles	0.67
P4 cycles	0.67
P5 cycles	0.67
P6 cycles	1.00
P7 cycles	1.00
P8 cycles	1.00
P9 cycles	1.00
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.50
P13 cycles	0.50
P14 cycles	0.50
P15 cycles	0.50
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	7.00
Nb uops	8.00
Nb loads	4.00
Nb stores	0.00
Nb stack references	0.00
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	32.00
Bytes prefetched	0.00
Bytes loaded	32.00
Bytes stored	0.00
Stride 0	NA
Stride 1	NA
Stride n	NA
Stride unknown	NA
Stride indirect	NA
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	12.50
Vector-efficiency ratio load	12.50
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	12.50

Metric	Value
CQA speedup if no scalar integer	4.33
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	11.56
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.03
Bottlenecks	micro-operation queue,
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	TinyVector.h:170-170,stl_vector.h:919-919,stl_vector.h:1046-1046,OhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:173-173
Source loop unroll info	NA
Source loop unroll confidence level	NA
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	4.88
CQA cycles if no scalar integer	1.13
CQA cycles if FP arith vectorized	4.88
CQA cycles if fully vectorized	0.42
Front-end cycles	4.88
P0 cycles	3.00
P1 cycles	3.00
P2 cycles	3.00
P3 cycles	3.00
P4 cycles	3.00
P5 cycles	3.00
P6 cycles	4.75
P7 cycles	4.75
P8 cycles	4.75
P9 cycles	4.75
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.50
P13 cycles	0.50
P14 cycles	0.50
P15 cycles	0.50
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	37.00
Nb uops	39.00
Nb loads	17.00
Nb stores	0.00
Nb stack references	6.00
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	27.08
Bytes prefetched	0.00
Bytes loaded	132.00
Bytes stored	0.00
Stride 0	4.00
Stride 1	2.00
Stride n	0.00
Stride unknown	3.00
Stride indirect	1.00
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	11.06
Vector-efficiency ratio load	12.50
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	9.82

Metric	Value
CQA speedup if no scalar integer	3.67
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	11.48
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.03
Bottlenecks	micro-operation queue,
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	TinyVector.h:170-170,stl_vector.h:919-919,stl_vector.h:1046-1046,OhmmsVector.h:229-229,NonLocalPP.hpp:126-126,NonLocalPP.hpp:129-135,unique_ptr.h:173-173
Source loop unroll info	NA
Source loop unroll confidence level	NA
Unroll/vectorization loop type	NA
Unroll factor	NA
CQA cycles	4.13
CQA cycles if no scalar integer	1.13
CQA cycles if FP arith vectorized	4.13
CQA cycles if fully vectorized	0.36
Front-end cycles	4.13
P0 cycles	2.67
P1 cycles	2.67
P2 cycles	2.67
P3 cycles	2.67
P4 cycles	2.67
P5 cycles	2.67
P6 cycles	4.00
P7 cycles	4.00
P8 cycles	4.00
P9 cycles	4.00
P10 cycles	0.00
P11 cycles	0.00
P12 cycles	0.50
P13 cycles	0.50
P14 cycles	0.50
P15 cycles	0.50
DIV/SQRT cycles	0.00
Inter-iter dependencies cycles	1
FE+BE cycles (UFS)	NA
Stall cycles (UFS)	NA
Nb insns	30.00
Nb uops	33.00
Nb loads	14.00
Nb stores	0.00
Nb stack references	5.00
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	26.18
Bytes prefetched	0.00
Bytes loaded	108.00
Bytes stored	0.00
Stride 0	NA
Stride 1	NA
Stride n	NA
Stride unknown	NA
Stride indirect	NA
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	11.36
Vector-efficiency ratio load	12.50
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	10.42

Path /

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

Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source file and lines	NonLocalPP.hpp:126-135
Module	exec

The loop is defined in:

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h:145,170
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h:919,1046
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h:229
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:126-135
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/unique_ptr.h:173
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:43,63
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h:231

Warnings:
Non-innermost loop: analyzing only self part (ignoring child loops).
This loop has 3 execution paths.

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 11% 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 3.33 to 0.30 cycles (11.03x 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 ffast-math (included in Ofast) to extend loop vectorization to 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

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

UCOMISD: 0 occurrences

Type of elements and instruction set

1 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).

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 90 bytes (11 double precision FP elements).

General properties

nb instructions	24.67
nb uops	26.67
loop length	123.33
used x86 registers	9.67
used mmx registers	0
used xmm registers	1
used ymm registers	0
used zmm registers	0
nb stack references	3.67

Front-end

MACRO FUSION NOT POSSIBLE

micro-operation queue	3.33 cycles
front end	3.33 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	2.11	2.11	2.11	2.11	2.11	2.11	3.25	3.25	3.25	3.25	0.00	0.00	0.50	0.50	0.50	0.50
cycles	2.11	2.11	2.11	2.11	2.11	2.11	3.25	3.25	3.25	3.25	0.00	0.00	0.50	0.50	0.50	0.50

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	3.33
Dispatch	3.25
Data deps.	1.00
Overall L1	3.33

Vectorization ratios

INT

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)
other	0%

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%

INT+FP

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

INT

all	10%
load	12%
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)
other	9%

all	12%
load	12%
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	12%

INT+FP

all	11%
load	12%
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	10%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 3.33 cycles. At this rate:

11% of peak load performance is reached (28.42 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))

Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source file and lines	NonLocalPP.hpp:126-135
Module	exec

The loop is defined in:

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h:145,170
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h:919,1046
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h:229
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:126-135
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/unique_ptr.h:173
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:43,63
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h:231

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. 8 data elements could be processed at once in vector registers.

By vectorizing your loop, you can lower the cost of an iteration from 1.00 to 0.12 cycles (8.00x 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 ffast-math (included in Ofast) to extend loop vectorization to 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

Performance is limited by reading data from caches/RAM (load units are a bottleneck). By removing all these bottlenecks, you can lower the cost of an iteration from 1.00 to 0.67 cycles (1.50x speedup).

Workaround

Read less array elements
Provide more information to your compiler:
- hardcode the bounds of the corresponding 'for' loop

No data for this section

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

UCOMISD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:129

Type of elements and instruction set

1 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).

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 32 bytes (4 double precision FP elements).

General properties

nb instructions	7
nb uops	8
loop length	29
used x86 registers	5
used mmx registers	0
used xmm registers	1
used ymm registers	0
used zmm registers	0
nb stack references	0

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	1.00 cycles
front end	1.00 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	0.67	0.67	0.67	0.67	0.67	0.67	1.00	1.00	1.00	1.00	0.00	0.00	0.50	0.50	0.50	0.50
cycles	0.67	0.67	0.67	0.67	0.67	0.67	1.00	1.00	1.00	1.00	0.00	0.00	0.50	0.50	0.50	0.50

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	1.00
Dispatch	1.00
Data deps.	1.00
Overall L1	1.00

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	12%
load	12%
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	12%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 1.00 cycles. At this rate:

12% of peak load performance is reached (32.00 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 1.00 to 0.67 cycles (1.50x speedup).

ASM code

In the binary file, the address of the loop is: 413cec

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
INC %R14	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	N/A
CMP %R14,0x260(%RAX)	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	1	0.25	N/A
JBE 413c80 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x5d0>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV (%R15),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOVSD (%RCX,%R14,8),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	1	0.50	scal (12.5%)
UCOMISD (%R12),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0.50	0.50	7	1	scal (12.5%)
JAE 413ce0 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x630>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A

Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source file and lines	NonLocalPP.hpp:126-135
Module	exec

The loop is defined in:

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h:145,170
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h:919,1046
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h:229
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:126-135
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/unique_ptr.h:173
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:43,63
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h:231

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

Code clean check

Detected a slowdown caused by scalar integer instructions (typically used for address computation). By removing them, you can lower the cost of an iteration from 4.88 to 1.13 cycles (4.33x speedup).

Workaround

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

Vectorization

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 ffast-math (included in Ofast) to extend loop vectorization to 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.

unknown: 2 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:134
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:135

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

UCOMISD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:129

Slow data structures access

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

Details

Constant unknown stride: 3 occurrence(s)
Irregular (variable stride) or indirect: 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)
Try to remove indirect accesses. If applicable, precompute elements out of the innermost loop.

Type of elements and instruction set

1 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).

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 132 bytes (16 double precision FP elements).

General properties

nb instructions	37
nb uops	39
loop length	191
used x86 registers	12
used mmx registers	0
used xmm registers	1
used ymm registers	0
used zmm registers	0
nb stack references	6

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	4.88 cycles
front end	4.88 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	3.00	3.00	3.00	3.00	3.00	3.00	4.75	4.75	4.75	4.75	0.00	0.00	0.50	0.50	0.50	0.50
cycles	3.00	3.00	3.00	3.00	3.00	3.00	4.75	4.75	4.75	4.75	0.00	0.00	0.50	0.50	0.50	0.50

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	4.88
Dispatch	4.75
Data deps.	1.00
Overall L1	4.88

Vectorization ratios

INT

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)
other	0%

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%

INT+FP

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

INT

all	10%
load	12%
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)
other	9%

all	12%
load	12%
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	12%

INT+FP

all	11%
load	12%
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 4.88 cycles. At this rate:

10% of peak load performance is reached (27.08 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).

ASM code

In the binary file, the address of the loop is: 413cec

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
INC %R14	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	N/A
CMP %R14,0x260(%RAX)	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	1	0.25	scal (12.5%)
JBE 413c80 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x5d0>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV (%R15),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOVSD (%RCX,%R14,8),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	1	0.50	scal (12.5%)
UCOMISD (%R12),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0.50	0.50	7	1	scal (12.5%)
JAE 413ce0 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x630>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV 0x13f0(%R12),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
SUB 0x13e8(%R12),%RCX	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	1	0.25	N/A
SHR $0x3,%RCX	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.33	N/A
IMUL $-0x55555555,%ECX,%ECX	1	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	3	0.33	N/A
TEST %ECX,%ECX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	N/A
JLE 413ddd <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x72d>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV $0x10,%EAX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	N/A
MOV -0x38(%RBP),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
LEA (%RCX,%RCX,2),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.25	N/A
XOR %EDX,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.25	scal (6.3%)
MOV -0x30(%RBP),%R9	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
NOPW %CS:(%RAX,%RAX,1)	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
MOV 0x1418(%R12),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOV 0x18(%RAX),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOVSXD (%RAX,%R14,4),%RAX	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	1	0.25	N/A
MOV 0x1400(%R12),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOV (%RCX,%RAX,8),%R13	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
MOV %R13,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
MOV -0x38(%RBP),%RDX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
LEA -0x60(%RBP),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.25	N/A
MOV $0x1,%R8D	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	scal (6.3%)
MOV %R14D,%R9D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
CALL 4052e0 <@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0.50	N/A
MOV -0xa0(%RBP),%RDI	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
MOV %R13,%RSI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
LEA -0x90(%RBP),%RDX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.25	N/A
CALL 4055f0 <@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0.50	N/A
MOV 0x1418(%R12),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOV -0x98(%RBP),%RSI	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
JMP 413ce0 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x630>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	1	N/A

Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source file and lines	NonLocalPP.hpp:126-135
Module	exec

The loop is defined in:

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h:145,170
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h:919,1046
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h:229
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:126-135
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/unique_ptr.h:173
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:43,63
/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h:231

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

Code clean check

Detected a slowdown caused by scalar integer instructions (typically used for address computation). By removing them, you can lower the cost of an iteration from 4.13 to 1.13 cycles (3.67x speedup).

Workaround

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

Vectorization

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 ffast-math (included in Ofast) to extend loop vectorization to 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

unknown: 2 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:134
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:135

Complex instructions

Detected COMPLEX INSTRUCTIONS.

Details

These instructions generate more than one micro-operation and only one of them can be decoded during a cycle and the extra micro-operations increase pressure on execution units.

UCOMISD: 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:129

Type of elements and instruction set

1 SSE or AVX instructions are processing arithmetic or math operations on double precision FP elements in scalar mode (one at a time).

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 108 bytes (13 double precision FP elements).

General properties

nb instructions	30
nb uops	33
loop length	150
used x86 registers	12
used mmx registers	0
used xmm registers	1
used ymm registers	0
used zmm registers	0
nb stack references	5

Front-end

MACRO FUSION NOT POSSIBLE FIT IN UOP CACHE

micro-operation queue	4.13 cycles
front end	4.13 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	2.67	2.67	2.67	2.67	2.67	2.67	4.00	4.00	4.00	4.00	0.00	0.00	0.50	0.50	0.50	0.50
cycles	2.67	2.67	2.67	2.67	2.67	2.67	4.00	4.00	4.00	4.00	0.00	0.00	0.50	0.50	0.50	0.50

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	4.13
Dispatch	4.00
Data deps.	1.00
Overall L1	4.13

Vectorization ratios

INT

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)
other	0%

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%

INT+FP

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

INT

all	11%
load	12%
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)
other	10%

all	12%
load	12%
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	12%

INT+FP

all	11%
load	12%
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	10%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 4.13 cycles. At this rate:

10% of peak load performance is reached (26.18 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).

ASM code

In the binary file, the address of the loop is: 413cec

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
INC %R14	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	N/A
CMP %R14,0x260(%RAX)	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	1	0.25	scal (12.5%)
JBE 413c80 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x5d0>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV (%R15),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOVSD (%RCX,%R14,8),%XMM0	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	1	0.50	scal (12.5%)
UCOMISD (%R12),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0.50	0.50	7	1	scal (12.5%)
JAE 413ce0 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x630>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV 0x13f0(%R12),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
SUB 0x13e8(%R12),%RCX	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	1	0.25	N/A
SHR $0x3,%RCX	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.33	N/A
IMUL $-0x55555555,%ECX,%ECX	1	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	0	0	3	0.33	N/A
TEST %ECX,%ECX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	N/A
JLE 413ddd <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x72d>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	1	0.50-1	N/A
MOV 0x18(%RAX),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOVSXD (%RAX,%R14,4),%RAX	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	1	0.25	N/A
MOV 0x1400(%R12),%RCX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOV (%RCX,%RAX,8),%R13	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
MOV %R13,%RDI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
MOV -0x38(%RBP),%RDX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
LEA -0x60(%RBP),%RCX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.25	N/A
MOV $0x1,%R8D	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.17	scal (6.3%)
MOV %R14D,%R9D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
CALL 4052e0 <@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0.50	N/A
MOV -0xa0(%RBP),%RDI	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
MOV %R13,%RSI	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (12.5%)
LEA -0x90(%RBP),%RDX	1	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	1	0.25	N/A
CALL 4055f0 <@plt>	2	0	0	0	0.33	0.33	0.33	0.25	0.25	0.25	0.25	0	0	0	0	0	0.50	N/A
MOV 0x1418(%R12),%RAX	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	N/A
MOV -0x98(%RBP),%RSI	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	3	0.25	scal (12.5%)
JMP 413ce0 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x630>	1	0	0	0	0.33	0.33	0.33	0	0	0	0	0	0	0	0	0	1	N/A

Report Configuration

Vectorization

Details

Workaround

Complex instructions

Details

Type of elements and instruction set

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

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Vectorization

Details

Workaround

Execution units bottlenecks

Workaround

Complex instructions

Details

Type of elements and instruction set

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

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code

Code clean check

Workaround

Vectorization

Details

Workaround

Execution units bottlenecks

CALL instructions

Details

Complex instructions

Details

Slow data structures access

Details

Workaround

Type of elements and instruction set

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

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code

Code clean check

Workaround

Vectorization

Details

Workaround

Execution units bottlenecks

CALL instructions

Details

Complex instructions

Details

Type of elements and instruction set

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

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Vector efficiency ratios

Cycles and memory resources usage

Front-end bottlenecks

ASM code