OV - exec - Loop 53

	Loop Id: 53	Module: exec	Source: NonLocalPP.hpp:126-135 [...]	Coverage: 0.04%

0x229470 MOV	0x1418(%R15),%RAX

0x229477 MOV	-0x68(%RBP),%RSI

0x22947b INC	%R12

0x22947e CMP	%R12,0x260(%RAX)

0x229485 JBE	229420

0x229487 MOV	(%R14),%RCX

0x22948a VMOVSD	(%RCX,%R12,8),%XMM0

0x229490 VUCOMISD	(%R15),%XMM0

0x229495 JAE	22947b

0x229497 MOV	0x13f0(%R15),%RCX

0x22949e SUB	0x13e8(%R15),%RCX

0x2294a5 SHR	$0x3,%RCX

0x2294a9 IMUL	$-0x55555555,%ECX,%ECX

0x2294af TEST	%ECX,%ECX

0x2294b1 JLE	22955b

0x2294b7 MOV	$0x10,%EAX

0x2294bc XOR	%ECX,%ECX

0x2294be XCHG	%AX,%AX

  (54) 0x2294c0 MOV	(%RBX),%RDI

  (54) 0x2294c3 MOV	-0x10(%RBX),%R9

  (54) 0x2294c7 MOV	(%R14),%RDX

  (54) 0x2294ca MOV	-0x80(%RBP),%R10

  (54) 0x2294ce INC	%RCX

  (54) 0x2294d1 LEA	(%RDI,%R12,8),%R8

  (54) 0x2294d5 SAL	$0x20,%R9

  (54) 0x2294d9 VMOVDDUP	(%RDX,%R12,8),%XMM1

  (54) 0x2294df VMOVSD	(%RDI,%R12,8),%XMM2

  (54) 0x2294e5 VMOVSD	(%R10,%RAX,1),%XMM0

  (54) 0x2294eb LEA	(%R13,%R13,2),%RDI

  (54) 0x2294f0 MOV	%R9,%RDX

  (54) 0x2294f3 SAR	$0x1d,%RDX

  (54) 0x2294f7 SAR	$0x1c,%R9

  (54) 0x2294fb VMOVHPD	(%RDX,%R8,1),%XMM2,%XMM2

  (54) 0x229501 MOV	0x40(%RSI),%RDX

  (54) 0x229505 VFMADD213SD	(%R9,%R8,1),%XMM1,%XMM0

  (54) 0x22950b VFMADD231PD	-0x10(%R10,%RAX,1),%XMM1,%XMM2

  (54) 0x229512 VADDSD	0x10(%RDX,%RDI,8),%XMM0,%XMM0

  (54) 0x229518 VADDPD	(%RDX,%RDI,8),%XMM2,%XMM1

  (54) 0x22951d MOV	-0x40(%RBP),%RDX

  (54) 0x229521 VMOVUPD	%XMM1,-0x10(%RDX,%RAX,1)

  (54) 0x229527 VMOVSD	%XMM0,(%RDX,%RAX,1)

  (54) 0x22952c ADD	$0x18,%RAX

  (54) 0x229530 MOV	0x13f0(%R15),%RDX

  (54) 0x229537 SUB	0x13e8(%R15),%RDX

  (54) 0x22953e SHR	$0x3,%RDX

  (54) 0x229542 IMUL	$-0x55555555,%EDX,%EDX

  (54) 0x229548 MOVSXD	%EDX,%RDX

  (54) 0x22954b CMP	%RDX,%RCX

  (54) 0x22954e JL	2294c0

0x229554 MOV	0x1418(%R15),%RAX

0x22955b MOV	0x18(%RAX),%RAX

0x22955f MOV	0x1400(%R15),%RCX

0x229566 MOVSXD	(%RAX,%R12,4),%RAX

0x22956a MOV	(%RCX,%RAX,8),%RDI

0x22956e LEA	-0x40(%RBP),%RCX

0x229572 MOV	$0x1,%R8D

0x229578 MOV	%RDI,-0xa8(%RBP)

0x22957f MOV	%R13D,%EDX

0x229582 MOV	%R12D,%R9D

0x229585 CALL	28fc30 <_ZN11qmcplusplus18VirtualParticleSet9makeMovesERKNS_11ParticleSetEiRKSt6vectorINS_10TinyVectorIdLj3EEESaIS6_EEbi>

0x22958a MOV	-0x70(%RBP),%RDI

0x22958e MOV	-0xa8(%RBP),%RSI

0x229595 LEA	-0x60(%RBP),%RDX

0x229599 CALL	22d040 <_ZN11qmcplusplus12WaveFunction14evaluateRatiosERNS_18VirtualParticleSetERSt6vectorIdSaIdEE>

0x22959e JMP	229470

/home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h: 144 - 145

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

144:     for (int i = 0; i < D; ++i)

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

/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: 223 - 229

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

223:     return X[i];

[...]

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
►96.59+	main.omp_outlined.64	NewTimer.h:249	exec
○	__kmp_invoke_microtask		libomp.so
○	__kmp_invoke_task_func		libomp.so
○	__kmp_launch_thread		libomp.so
○	__kmp_launch_worker(void*)		libomp.so
○	start_thread		libc.so.6
○	__GI___clone3		libc.so.6
►2.60+	main.omp_outlined.64	NewTimer.h:249	exec
○	__kmp_invoke_microtask		libomp.so
○	__kmp_invoke_task_func		libomp.so
○	__kmp_fork_call		libomp.so
○	__kmpc_fork_call		libomp.so
○	main	miniqmc.cpp:411	exec
○	__libc_start_call_main		libc.so.6

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	2.89
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	10.58
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.28
Bottlenecks
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	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	3.25
CQA cycles if no scalar integer	1.13
CQA cycles if FP arith vectorized	3.25
CQA cycles if fully vectorized	0.31
Front-end cycles	3.21
P0 cycles	2.06
P1 cycles	2.06
P2 cycles	2.06
P3 cycles	2.06
P4 cycles	2.06
P5 cycles	2.06
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	23.67
Nb uops	25.67
Nb loads	11.00
Nb stores	0.67
Nb stack references	3.33
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	28.95
Bytes prefetched	0.00
Bytes loaded	85.33
Bytes stored	5.33
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	0.00
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	12.50
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	10.00

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	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	3.60
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	11.08
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.59
Bottlenecks	micro-operation queue, P6, P7, P8, P9,
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	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	4.50
CQA cycles if no scalar integer	1.25
CQA cycles if FP arith vectorized	4.50
CQA cycles if fully vectorized	0.41
Front-end cycles	4.50
P0 cycles	2.83
P1 cycles	2.83
P2 cycles	2.83
P3 cycles	2.83
P4 cycles	2.83
P5 cycles	2.83
P6 cycles	4.50
P7 cycles	4.50
P8 cycles	4.50
P9 cycles	4.50
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	34.00
Nb uops	36.00
Nb loads	15.00
Nb stores	1.00
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	27.56
Bytes prefetched	0.00
Bytes loaded	116.00
Bytes stored	8.00
Stride 0	6.00
Stride 1	2.00
Stride n	0.00
Stride unknown	4.00
Stride indirect	0.00
Vectorization ratio all	0.00
Vectorization ratio load	0.00
Vectorization ratio store	0.00
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	10.80
Vector-efficiency ratio load	12.50
Vector-efficiency ratio store	12.50
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	8.75

Metric	Value
CQA speedup if no scalar integer	3.78
CQA speedup if FP arith vectorized	1.00
CQA speedup if fully vectorized	10.88
CQA speedup if no inter-iteration dependency	NA
CQA speedup if next bottleneck killed	1.03
Bottlenecks	P6, P7, P8, P9,
Function	qmcplusplus::NonLocalPP::evaluate(qmcplusplus::ParticleSet const&, qmcplusplus::WaveFunction&)
Source	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	4.25
CQA cycles if no scalar integer	1.13
CQA cycles if FP arith vectorized	4.25
CQA cycles if fully vectorized	0.39
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	4.25
P7 cycles	4.25
P8 cycles	4.25
P9 cycles	4.25
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	30.00
Nb uops	33.00
Nb loads	14.00
Nb stores	1.00
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	27.29
Bytes prefetched	0.00
Bytes loaded	108.00
Bytes stored	8.00
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	0.00
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	10.80
Vector-efficiency ratio load	12.50
Vector-efficiency ratio store	12.50
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	8.75

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:144-145
/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:223,229
/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 3.25 to 0.31 cycles (10.58x 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
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.

VUCOMISD: 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 85 bytes (10 double precision FP elements). The binary loop is storing 5 bytes (0 double precision FP elements).

General properties

nb instructions	23.67
nb uops	25.67
loop length	110
used x86 registers	9.67
used mmx registers	0
used xmm registers	1
used ymm registers	0
used zmm registers	0
nb stack references	3.33

Front-end

MACRO FUSION NOT POSSIBLE

micro-operation queue	3.21 cycles
front end	3.21 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	2.06	2.06	2.06	2.06	2.06	2.06	3.25	3.25	3.25	3.25	0.00	0.00	0.50	0.50	0.50	0.50
cycles	2.06	2.06	2.06	2.06	2.06	2.06	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	3.21
Dispatch	3.25
Data deps.	1.00
Overall L1	3.25

Vectorization ratios

INT

all	0%
load	0%
store	0%
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	0%
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	12%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	7%

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	12%
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 3.25 cycles. At this rate:

10% of peak load performance is reached (27.73 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
0% of peak store performance is reached (1.22 out of 128.00 bytes stored 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:144-145
/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:223,229
/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
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.

VUCOMISD: 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	28
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: 229487

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
INC %R12	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 %R12,0x260(%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 229420 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x250>	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 (%R14),%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
VMOVSD (%RCX,%R12,8),%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%)
VUCOMISD (%R15),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
JAE 22947b <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x2ab>	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:144-145
/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:223,229
/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 4.50 to 1.25 cycles (3.60x speedup).

Workaround

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

Vectorization

Your loop is not vectorized. Only 10% 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 4.50 to 0.41 cycles (11.08x 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
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)
writing data to caches/RAM (the store unit is a bottleneck)

By removing all these bottlenecks, you can lower the cost of an iteration from 4.50 to 2.83 cycles (1.59x speedup).

Workaround

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

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.

qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector
, std::allocator
> > const&, bool, int): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:134
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector
>&): 1 occurrences►
- /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.

VUCOMISD: 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: 4 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)

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 116 bytes (14 double precision FP elements). The binary loop is storing 8 bytes (1 double precision FP elements).

General properties

nb instructions	34
nb uops	36
loop length	159
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	4.50 cycles
front end	4.50 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15
uops	2.83	2.83	2.83	2.83	2.83	2.83	4.50	4.50	4.50	4.50	0.00	0.00	0.50	0.50	0.50	0.50
cycles	2.83	2.83	2.83	2.83	2.83	2.83	4.50	4.50	4.50	4.50	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	4.50
Dispatch	4.50
Data deps.	1.00
Overall L1	4.50

Vectorization ratios

INT

all	0%
load	0%
store	0%
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	0%
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	12%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	7%

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	10%
load	12%
store	12%
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	8%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 4.50 cycles. At this rate:

10% of peak load performance is reached (25.78 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
1% of peak store performance is reached (1.78 out of 128.00 bytes stored per cycle (GB/s @ 1GHz))

Front-end bottlenecks

ASM code

In the binary file, the address of the loop is: 229487

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
MOV 0x1418(%R15),%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 -0x68(%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%)
INC %R12	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 %R12,0x260(%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 229420 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x250>	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 (%R14),%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
VMOVSD (%RCX,%R12,8),%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%)
VUCOMISD (%R15),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
JAE 22947b <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x2ab>	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(%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
SUB 0x13e8(%R15),%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 22955b <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x38b>	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
XOR %ECX,%ECX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.25	N/A
XCHG %AX,%AX	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.09	N/A
MOV 0x1418(%R15),%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
MOV 0x1400(%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
MOVSXD (%RAX,%R12,4),%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 (%RCX,%RAX,8),%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%)
LEA -0x40(%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 %RDI,-0xa8(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	4	0.50	scal (12.5%)
MOV %R13D,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %R12D,%R9D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
CALL 28fc30 <_ZN11qmcplusplus18VirtualParticleSet9makeMovesERKNS_11ParticleSetEiRKSt6vectorINS_10TinyVectorIdLj3EEESaIS6_EEbi>	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 -0x70(%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 -0xa8(%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%)
LEA -0x60(%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 22d040 <_ZN11qmcplusplus12WaveFunction14evaluateRatiosERNS_18VirtualParticleSetERSt6vectorIdSaIdEE>	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
JMP 229470 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x2a0>	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:144-145
/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:223,229
/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 4.25 to 1.13 cycles (3.78x 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
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)
writing data to caches/RAM (the store unit is a bottleneck)

Workaround

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

No data for this section

CALL instructions

Detected function call instructions.

Details

qmcplusplus::VirtualParticleSet::makeMoves(qmcplusplus::ParticleSet const&, int, std::vector
, std::allocator
> > const&, bool, int): 1 occurrences►
- /home/eoseret/qaas_runs_ZEN5/173-938-0042/intel/miniqmc/build/miniqmc/src/Drivers/NonLocalPP.hpp:134
qmcplusplus::WaveFunction::evaluateRatios(qmcplusplus::VirtualParticleSet&, std::vector
>&): 1 occurrences►
- /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.

VUCOMISD: 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). The binary loop is storing 8 bytes (1 double precision FP elements).

General properties

nb instructions	30
nb uops	33
loop length	143
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	4.25	4.25	4.25	4.25	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	4.25	4.25	4.25	4.25	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	4.13
Dispatch	4.25
Data deps.	1.00
Overall L1	4.25

Vectorization ratios

INT

all	0%
load	0%
store	0%
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	0%
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	12%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	NA (no add-sub vectorizable/vectorized instructions)
fma	NA (no fma vectorizable/vectorized instructions)
other	7%

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	10%
load	12%
store	12%
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	8%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each iteration of the binary loop takes 4.25 cycles. At this rate:

9% of peak load performance is reached (25.41 out of 256.00 bytes loaded per cycle (GB/s @ 1GHz))
1% of peak store performance is reached (1.88 out of 128.00 bytes stored per cycle (GB/s @ 1GHz))

Front-end bottlenecks

Found no such bottlenecks.

ASM code

In the binary file, the address of the loop is: 229487

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P12	P13	P14	P15	Latency	Recip. throughput	Vectorization
MOV 0x1418(%R15),%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 -0x68(%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%)
INC %R12	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 %R12,0x260(%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 229420 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x250>	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 (%R14),%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
VMOVSD (%RCX,%R12,8),%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%)
VUCOMISD (%R15),%XMM0	2	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0.50	0.50	0.50	0.50	6	0.50	scal (12.5%)
JAE 22947b <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x2ab>	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(%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
SUB 0x13e8(%R15),%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 22955b <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x38b>	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
MOV 0x1400(%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
MOVSXD (%RAX,%R12,4),%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 (%RCX,%RAX,8),%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%)
LEA -0x40(%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 %RDI,-0xa8(%RBP)	1	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	4	0.50	scal (12.5%)
MOV %R13D,%EDX	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
MOV %R12D,%R9D	1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.17	scal (6.3%)
CALL 28fc30 <_ZN11qmcplusplus18VirtualParticleSet9makeMovesERKNS_11ParticleSetEiRKSt6vectorINS_10TinyVectorIdLj3EEESaIS6_EEbi>	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 -0x70(%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 -0xa8(%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%)
LEA -0x60(%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 22d040 <_ZN11qmcplusplus12WaveFunction14evaluateRatiosERNS_18VirtualParticleSetERSt6vectorIdSaIdEE>	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
JMP 229470 <_ZN11qmcplusplus10NonLocalPPIdE8evaluateERKNS_11ParticleSetERNS_12WaveFunctionE+0x2a0>	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

Workaround

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

Workaround

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