OV - exec - Loop 54

	Loop Id: 54	Module: exec	Source: NonLocalPP.hpp:126-135 [...]	Coverage: 0.04%

0x22cca0 MOV	0x1418(%R15),%RAX

0x22cca7 MOV	-0x68(%RBP),%RSI

0x22ccab INC	%R12

0x22ccae CMP	%R12,0x260(%RAX)

0x22ccb5 JBE	22cc50

0x22ccb7 MOV	(%R14),%RCX

0x22ccba VMOVSD	(%RCX,%R12,8),%XMM0

0x22ccc0 VUCOMISD	(%R15),%XMM0

0x22ccc5 JAE	22ccab

0x22ccc7 MOV	0x13f0(%R15),%RCX

0x22ccce SUB	0x13e8(%R15),%RCX

0x22ccd5 SHR	$0x3,%RCX

0x22ccd9 IMUL	$-0x55555555,%ECX,%ECX

0x22ccdf TEST	%ECX,%ECX

0x22cce1 JLE	22cd8b

0x22cce7 MOV	$0x10,%EAX

0x22ccec XOR	%ECX,%ECX

0x22ccee XCHG	%AX,%AX

  (55) 0x22ccf0 MOV	(%RBX),%RDI

  (55) 0x22ccf3 MOV	-0x10(%RBX),%R9

  (55) 0x22ccf7 MOV	(%R14),%RDX

  (55) 0x22ccfa MOV	-0x80(%RBP),%R10

  (55) 0x22ccfe INC	%RCX

  (55) 0x22cd01 LEA	(%RDI,%R12,8),%R8

  (55) 0x22cd05 SAL	$0x20,%R9

  (55) 0x22cd09 VMOVDDUP	(%RDX,%R12,8),%XMM1

  (55) 0x22cd0f VMOVSD	(%RDI,%R12,8),%XMM2

  (55) 0x22cd15 VMOVSD	(%R10,%RAX,1),%XMM0

  (55) 0x22cd1b LEA	(%R13,%R13,2),%RDI

  (55) 0x22cd20 MOV	%R9,%RDX

  (55) 0x22cd23 SAR	$0x1d,%RDX

  (55) 0x22cd27 SAR	$0x1c,%R9

  (55) 0x22cd2b VMOVHPD	(%RDX,%R8,1),%XMM2,%XMM2

  (55) 0x22cd31 MOV	0x40(%RSI),%RDX

  (55) 0x22cd35 VFMADD213SD	(%R9,%R8,1),%XMM1,%XMM0

  (55) 0x22cd3b VFMADD231PD	-0x10(%R10,%RAX,1),%XMM1,%XMM2

  (55) 0x22cd42 VADDSD	0x10(%RDX,%RDI,8),%XMM0,%XMM0

  (55) 0x22cd48 VADDPD	(%RDX,%RDI,8),%XMM2,%XMM1

  (55) 0x22cd4d MOV	-0x40(%RBP),%RDX

  (55) 0x22cd51 VMOVUPD	%XMM1,-0x10(%RDX,%RAX,1)

  (55) 0x22cd57 VMOVSD	%XMM0,(%RDX,%RAX,1)

  (55) 0x22cd5c ADD	$0x18,%RAX

  (55) 0x22cd60 MOV	0x13f0(%R15),%RDX

  (55) 0x22cd67 SUB	0x13e8(%R15),%RDX

  (55) 0x22cd6e SHR	$0x3,%RDX

  (55) 0x22cd72 IMUL	$-0x55555555,%EDX,%EDX

  (55) 0x22cd78 MOVSXD	%EDX,%RDX

  (55) 0x22cd7b CMP	%RDX,%RCX

  (55) 0x22cd7e JL	22ccf0

0x22cd84 MOV	0x1418(%R15),%RAX

0x22cd8b MOV	0x18(%RAX),%RAX

0x22cd8f MOV	0x1400(%R15),%RCX

0x22cd96 MOVSXD	(%RAX,%R12,4),%RAX

0x22cd9a MOV	(%RCX,%RAX,8),%RDI

0x22cd9e LEA	-0x40(%RBP),%RCX

0x22cda2 MOV	$0x1,%R8D

0x22cda8 MOV	%RDI,-0xa8(%RBP)

0x22cdaf MOV	%R13D,%EDX

0x22cdb2 MOV	%R12D,%R9D

0x22cdb5 CALL	2a1090 <_ZN11qmcplusplus18VirtualParticleSet9makeMovesERKNS_11ParticleSetEiRKSt6vectorINS_10TinyVectorIdLj3EEESaIS6_EEbi>

0x22cdba MOV	-0x70(%RBP),%RDI

0x22cdbe MOV	-0xa8(%RBP),%RSI

0x22cdc5 LEA	-0x60(%RBP),%RDX

0x22cdc9 CALL	230720 <_ZN11qmcplusplus12WaveFunction14evaluateRatiosERNS_18VirtualParticleSetERSt6vectorIdSaIdEE>

0x22cdce JMP	22cca0

/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
►96.69+	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
►2.64+	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: 22ccb7

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 22cc50 <_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 22ccab <_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: 22ccb7

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 22cc50 <_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 22ccab <_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 22cd8b <_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 2a1090 <_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 230720 <_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 22cca0 <_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: 22ccb7

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 22cc50 <_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 22ccab <_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 22cd8b <_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 2a1090 <_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 230720 <_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 22cca0 <_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