OV - exec - Function qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)

	Function: qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)	Module: exec	Source: WaveFunction.cpp:182-190 [...]	Coverage (incl. loops): 0.01% \| (excl. loops): 0.01%

/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/Utilities/NewTimer.h: 242 - 249

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

242:   ScopeGuard(TIMER& t) : timer(t) { timer.start(); }

[...]

249:   ~ScopeGuard() { timer.stop(); }

/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/WaveFunction.cpp: 182 - 190

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

182: {

183:   posT grad_iat = (iat < nelup ? Det_up->evalGrad(P, iat) : Det_dn->evalGrad(P, iat));

184:

185:   for (size_t i = 0; i < Jastrows.size(); i++)

186:   {

187:     ScopedTimer local_timer(jastrow_timers[i]);

188:     grad_iat += Jastrows[i]->evalGrad(P, iat);

189:   }

190:   return grad_iat;

/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h: 94 - 94

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

94:     (const_cast<T1&>(a) += b);

/opt/arm/gcc-14.2.0_AmazonLinux-2023/lib/gcc/aarch64-linux-gnu/14.2.0/../../../../include/c++/14.2.0/bits/stl_vector.h: 993 - 1131

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

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

[...]

1131: 	return *(this->_M_impl._M_start + __n);

/opt/arm/gcc-14.2.0_AmazonLinux-2023/lib/gcc/aarch64-linux-gnu/14.2.0/../../../../include/c++/14.2.0/bits/refwrap.h: 351 - 351

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

351:       { return *_M_data; }

0x40d910 STP	D13, D12, [SP, #912]!

0x40d914 STP	D11, D10, [SP, #16]

0x40d918 STP	D9, D8, [SP, #32]

0x40d91c STP	X29, X30, [SP, #48]

0x40d920 STR	X23, [SP, #64]

0x40d924 STP	X22, X21, [SP, #80]

0x40d928 STP	X20, X19, [SP, #96]

0x40d92c ADD	X29, SP, #48

0x40d930 LDR	W8, [X0, #52]

0x40d934 ORR	X21, XZR, X0

0x40d938 ORR	W19, WZR, W2

0x40d93c ORR	X20, XZR, X1

0x40d940 CMP	W8, W2

0x40d944 CSINC	W8, WZR, WZR, #12

0x40d948 LDR	X0, [X0, X8,UXTW #3]

0x40d94c LDR	X8, [X0]

0x40d950 LDR	X8, [X8, #24]

0x40d954 BLR	X8

0x40d958 LDP	X9, X8, [X21, #16]

0x40d95c FMOV	D10, D0

0x40d960 FMOV	D9, D1

0x40d964 FMOV	D8, D2

0x40d968 CMP	X8, X9

0x40d96c B.EQ	40d9e0

0x40d970 ORR	X23, XZR, XZR

0x40d974 HINT	#0

0x40d978 HINT	#0

0x40d97c HINT	#0

(106) 0x40d980 LDR	X8, [X21, #88]

(106) 0x40d984 LDR	X22, [X8, X23,LSL #3]

(106) 0x40d988 ORR	X0, XZR, X22

(106) 0x40d98c BL	468a00

(106) 0x40d990 LDR	X8, [X21, #16]

(106) 0x40d994 LDR	X0, [X8, X23,LSL #3]

(106) 0x40d998 LDR	X8, [X0]

(106) 0x40d99c LDR	X8, [X8, #24]

(106) 0x40d9a0 ORR	X1, XZR, X20

(106) 0x40d9a4 ORR	W2, WZR, W19

(106) 0x40d9a8 BLR	X8

(106) 0x40d9ac FMOV	D11, D0

(106) 0x40d9b0 FMOV	D12, D1

(106) 0x40d9b4 FMOV	D13, D2

(106) 0x40d9b8 ORR	X0, XZR, X22

(106) 0x40d9bc BL	468b20

(106) 0x40d9c0 LDP	X9, X8, [X21, #16]

(106) 0x40d9c4 FADD	D8, D13, D8

(106) 0x40d9c8 FADD	D9, D12, D9

(106) 0x40d9cc FADD	D10, D11, D10

(106) 0x40d9d0 ADD	X23, X23, #1

(106) 0x40d9d4 SUB	X8, X8, X9

(106) 0x40d9d8 CMP	X23, X8,ASR #3

(106) 0x40d9dc B.CC	40d980

0x40d9e0 FMOV	D0, D10

0x40d9e4 FMOV	D1, D9

0x40d9e8 FMOV	D2, D8

0x40d9ec LDP	D9, D8, [SP, #32]

0x40d9f0 LDP	D11, D10, [SP, #16]

0x40d9f4 LDP	X20, X19, [SP, #96]

0x40d9f8 LDP	X22, X21, [SP, #80]

0x40d9fc LDR	X23, [SP, #64]

0x40da00 LDP	X29, X30, [SP, #48]

0x40da04 LDP	D13, D12, [SP], #112

0x40da08 RET

0x40da0c ORR	X19, XZR, X0

0x40da10 ORR	X0, XZR, X22

0x40da14 BL	468b20

0x40da18 ORR	X0, XZR, X19

0x40da1c BL	4048a0

0x40da20 BL	409c40

0x40da24 BL	409c40

0x40da28 HINT	#0

0x40da2c HINT	#0

Coverage (%)	Name	Source Location	Module
►100.00+	main.omp_outlined.63	miniqmc.cpp:433	exec
○	__kmp_invoke_microtask		libomp.so

Coverage (%)	Name	Source Location	Module
►100.00+	main.omp_outlined.63	miniqmc.cpp:433	exec
○	__kmp_invoke_microtask		libomp.so

Coverage (%)	Name	Source Location	Module
►100.00+	main.omp_outlined.63	miniqmc.cpp:433	exec
○	__kmp_invoke_microtask		libomp.so

Coverage (%)	Name	Source Location	Module
►100.00+	main.omp_outlined.63	miniqmc.cpp:433	exec
○	__kmp_invoke_microtask		libomp.so

Coverage (%)	Name	Source Location	Module
►99.19+	main.omp_outlined.63	miniqmc.cpp:433	exec
○	__kmp_invoke_microtask		libomp.so

Coverage (%)	Name	Source Location	Module
►100.00+	main.omp_outlined.63	miniqmc.cpp:433	exec
○	__kmp_invoke_microtask		libomp.so

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 /

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

The code analyzed by CQA in that panel excludes loops and represents 0.01% of application time for run 1x1

Source file and lines	WaveFunction.cpp:182-190
Module	exec

The function is defined in:

/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/Utilities/NewTimer.h:242,249
/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/WaveFunction.cpp:182-190
/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:94
/opt/arm/gcc-14.2.0_AmazonLinux-2023/lib/gcc/aarch64-linux-gnu/14.2.0/../../../../include/c++/14.2.0/bits/stl_vector.h:993,1131
/opt/arm/gcc-14.2.0_AmazonLinux-2023/lib/gcc/aarch64-linux-gnu/14.2.0/../../../../include/c++/14.2.0/bits/refwrap.h:351

Warnings:
Ignoring paths for analysis

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 6.50 to 3.17 cycles (2.05x speedup).

Workaround

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

Vectorization

Your function is poorly vectorized. Only 70% of vector register length is used (average across all VPU instructions). By fully vectorizing your function, you can lower the cost of an iteration from 6.50 to 6.08 cycles (1.07x speedup).

Details

24% of VPU instructions are used in vector version (process two or more data elements in vector registers):

50% of VPU loads are used in vector version.
42% of VPU stores are used in vector version.
0% of VPU addition or subtraction instructions are used in vector version.
0% of VPU instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully vectorized function can use their full power.

Workaround

Try another compiler or update/tune your current one
Make array accesses unit-stride:
- If your function 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)

Expensive FP math instructions/calls

Detected performance impact from expensive FP math instructions/calls. By removing/reexpressing them, you can lower the cost of an iteration from 6.50 to 2.50 cycles (2.60x speedup).

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

The binary function does not contain any FP arithmetical operations. The binary function is loading 148 bytes. The binary function is storing 104 bytes.

General properties

nb instructions	48
loop length	192
nb stack references	0

Front-end

FIT IN UOP CACHE

front end

5.38 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	P16
uops	3.50	3.50	3.00	3.00	3.00	3.00	3.00	3.00	2.25	2.25	2.25	2.25	6.50	6.17	6.33	2.00	2.00
cycles	3.50	3.50	3.00	3.00	3.00	3.00	3.00	3.00	2.25	2.25	2.25	2.25	6.50	6.17	6.33	2.00	2.00

Execution ports to units layout:

P0: BRU
P1: BRU
P2: ALU
P3: ALU
P4: ALU
P5: ALU
P6: ALU
P7: ALU
P8 (128 bits): VPU, FP store data, ALU, DIV/SQRT
P9 (128 bits): VPU, ALU, FP store data
P10 (128 bits): VPU, ALU, DIV/SQRT
P11 (128 bits): ALU, VPU
P12 (256 bits): store address, load
P13 (256 bits): store address, load
P14 (256 bits): load
P15 (64 bits): store data
P16 (64 bits): store data

Cycles executing div or sqrt instructions

Cycles summary

Front-end	5.38
Overall L1	6.50

Vectorization ratios

INT

all	31%
load	50%
store	42%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	0%

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

INT+FP

all	24%
load	50%
store	42%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 6.50 cycles. At this rate:

23% of peak load performance is reached (22.77 out of 96.00 bytes loaded per cycle (GB/s @ 1GHz))
33% of peak store performance is reached (16.00 out of 48.00 bytes stored per cycle (GB/s @ 1GHz))

ASM code

In the binary file, the address of the function is: 40d910

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	P16	Latency	Recip. throughput	Vectorization
STP D13, D12, [SP, #912]!	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (100.0%)
STP D11, D10, [SP, #16]	1	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (100.0%)
STP D9, D8, [SP, #32]	1	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (100.0%)
STP X29, X30, [SP, #48]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (100.0%)
STR X23, [SP, #64]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
STP X22, X21, [SP, #80]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (100.0%)
STP X20, X19, [SP, #96]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (100.0%)
ADD X29, SP, #48	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
LDR W8, [X0, #52]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
ORR X21, XZR, X0	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
ORR W19, WZR, W2	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (25.0%)
ORR X20, XZR, X1	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
CMP W8, W2	1	0	0	0.25	0.25	0	0	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (25.0%)
CSINC W8, WZR, WZR, #12	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
LDR X0, [X0, X8,UXTW #3]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDR X8, [X0]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDR X8, [X8, #24]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
BLR X8	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDP X9, X8, [X21, #16]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	N/A
FMOV D10, D0	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D9, D1	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D8, D2	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
CMP X8, X9	1	0	0	0.25	0.25	0	0	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	N/A
B.EQ 40d9e0 <_ZN11qmcplusplus12WaveFunction8evalGradERNS_11ParticleSetEi+0xd0>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X23, XZR, XZR	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
HINT #0																					N/A
HINT #0																					N/A
HINT #0																					N/A
FMOV D0, D10	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D1, D9	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D2, D8	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
LDP D9, D8, [SP, #32]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (100.0%)
LDP D11, D10, [SP, #16]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (100.0%)
LDP X20, X19, [SP, #96]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	scal (100.0%)
LDP X22, X21, [SP, #80]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	N/A
LDR X23, [SP, #64]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (50.0%)
LDP X29, X30, [SP, #48]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	scal (100.0%)
LDP D13, D12, [SP], #112	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (100.0%)
RET	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X19, XZR, X0	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
ORR X0, XZR, X22	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
BL 468b20 <_ZN11qmcplusplus9TimerTypeINSt6chrono3_V212system_clockEE4stopEv>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X0, XZR, X19	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
BL 4048a0 <@plt_start@+0x480>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
BL 409c40 <__clang_call_terminate>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
BL 409c40 <__clang_call_terminate>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
HINT #0																					N/A
HINT #0																					N/A

The code analyzed by CQA in that panel excludes loops and represents 0.01% of application time for run 1x1

Source file and lines	WaveFunction.cpp:182-190
Module	exec

The function is defined in:

/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/Utilities/NewTimer.h:242,249
/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/WaveFunction.cpp:182-190
/home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h:94
/opt/arm/gcc-14.2.0_AmazonLinux-2023/lib/gcc/aarch64-linux-gnu/14.2.0/../../../../include/c++/14.2.0/bits/stl_vector.h:993,1131
/opt/arm/gcc-14.2.0_AmazonLinux-2023/lib/gcc/aarch64-linux-gnu/14.2.0/../../../../include/c++/14.2.0/bits/refwrap.h:351

Warnings:
Ignoring paths for analysis

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 6.50 to 3.17 cycles (2.05x speedup).

Workaround

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

Vectorization

Details

24% of VPU instructions are used in vector version (process two or more data elements in vector registers):

50% of VPU loads are used in vector version.
42% of VPU stores are used in vector version.
0% of VPU addition or subtraction instructions are used in vector version.
0% of VPU instructions that are not load, store, addition, subtraction nor multiply instructions are used in vector version.

Since your execution units are vector units, only a fully vectorized function can use their full power.

Workaround

Try another compiler or update/tune your current one
Make array accesses unit-stride:
- If your function 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)

Expensive FP math instructions/calls

Detected performance impact from expensive FP math instructions/calls. By removing/reexpressing them, you can lower the cost of an iteration from 6.50 to 2.50 cycles (2.60x speedup).

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

The binary function does not contain any FP arithmetical operations. The binary function is loading 148 bytes. The binary function is storing 104 bytes.

General properties

nb instructions	48
loop length	192
nb stack references	0

Front-end

FIT IN UOP CACHE

front end

5.38 cycles

Back-end

	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	P16
uops	3.50	3.50	3.00	3.00	3.00	3.00	3.00	3.00	2.25	2.25	2.25	2.25	6.50	6.17	6.33	2.00	2.00
cycles	3.50	3.50	3.00	3.00	3.00	3.00	3.00	3.00	2.25	2.25	2.25	2.25	6.50	6.17	6.33	2.00	2.00

Execution ports to units layout:

P0: BRU
P1: BRU
P2: ALU
P3: ALU
P4: ALU
P5: ALU
P6: ALU
P7: ALU
P8 (128 bits): VPU, FP store data, ALU, DIV/SQRT
P9 (128 bits): VPU, ALU, FP store data
P10 (128 bits): VPU, ALU, DIV/SQRT
P11 (128 bits): ALU, VPU
P12 (256 bits): store address, load
P13 (256 bits): store address, load
P14 (256 bits): load
P15 (64 bits): store data
P16 (64 bits): store data

Cycles executing div or sqrt instructions

Cycles summary

Front-end	5.38
Overall L1	6.50

Vectorization ratios

INT

all	31%
load	50%
store	42%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
other	0%

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

INT+FP

all	24%
load	50%
store	42%
mul	NA (no mul vectorizable/vectorized instructions)
add-sub	0%
fma	NA (no fma vectorizable/vectorized instructions)
div/sqrt	NA (no div/sqrt vectorizable/vectorized instructions)
other	0%

Cycles and memory resources usage

Assuming all data fit into the L1 cache, each call to the function takes 6.50 cycles. At this rate:

23% of peak load performance is reached (22.77 out of 96.00 bytes loaded per cycle (GB/s @ 1GHz))
33% of peak store performance is reached (16.00 out of 48.00 bytes stored per cycle (GB/s @ 1GHz))

ASM code

In the binary file, the address of the function is: 40d910

Instruction	Nb FU	P0	P1	P2	P3	P4	P5	P6	P7	P8	P9	P10	P11	P12	P13	P14	P15	P16	Latency	Recip. throughput	Vectorization
STP D13, D12, [SP, #912]!	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (100.0%)
STP D11, D10, [SP, #16]	1	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (100.0%)
STP D9, D8, [SP, #32]	1	0	0	0	0	0	0	0	0	0.50	0.50	0	0	0.50	0.50	0	0	0	2	0.50	vect (100.0%)
STP X29, X30, [SP, #48]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (100.0%)
STR X23, [SP, #64]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (50.0%)
STP X22, X21, [SP, #80]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (100.0%)
STP X20, X19, [SP, #96]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.50	0.50	0	0.50	0.50	1	0.50	scal (100.0%)
ADD X29, SP, #48	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
LDR W8, [X0, #52]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
ORR X21, XZR, X0	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
ORR W19, WZR, W2	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (25.0%)
ORR X20, XZR, X1	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
CMP W8, W2	1	0	0	0.25	0.25	0	0	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	scal (25.0%)
CSINC W8, WZR, WZR, #12	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
LDR X0, [X0, X8,UXTW #3]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDR X8, [X0]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
LDR X8, [X8, #24]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	N/A
BLR X8	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
LDP X9, X8, [X21, #16]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	N/A
FMOV D10, D0	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D9, D1	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D8, D2	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
CMP X8, X9	1	0	0	0.25	0.25	0	0	0.25	0.25	0	0	0	0	0	0	0	0	0	1	0.33	N/A
B.EQ 40d9e0 <_ZN11qmcplusplus12WaveFunction8evalGradERNS_11ParticleSetEi+0xd0>	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X23, XZR, XZR	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
HINT #0																					N/A
HINT #0																					N/A
HINT #0																					N/A
FMOV D0, D10	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D1, D9	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
FMOV D2, D8	1	0	0	0	0	0	0	0	0	0.25	0.25	0.25	0.25	0	0	0	0	0	2	0.25	scal (50.0%)
LDP D9, D8, [SP, #32]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (100.0%)
LDP D11, D10, [SP, #16]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (100.0%)
LDP X20, X19, [SP, #96]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	scal (100.0%)
LDP X22, X21, [SP, #80]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	N/A
LDR X23, [SP, #64]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.33	scal (50.0%)
LDP X29, X30, [SP, #48]	1	0	0	0	0	0	0	0	0	0	0	0	0	0.33	0.33	0.33	0	0	4	0.50	scal (100.0%)
LDP D13, D12, [SP], #112	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0.33	0.33	0.33	0	0	6	0.33	vect (100.0%)
RET	1	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X19, XZR, X0	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	scal (50.0%)
ORR X0, XZR, X22	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
BL 468b20 <_ZN11qmcplusplus9TimerTypeINSt6chrono3_V212system_clockEE4stopEv>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
ORR X0, XZR, X19	1	0	0	0.17	0.17	0.17	0.17	0.17	0.17	0	0	0	0	0	0	0	0	0	1	0.17	N/A
BL 4048a0 <@plt_start@+0x480>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
BL 409c40 <__clang_call_terminate>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
BL 409c40 <__clang_call_terminate>	1	0.50	0.50	0.50	0.50	0	0	0	0	0	0	0	0	0	0	0	0	0	1	0.50	N/A
HINT #0																					N/A
HINT #0																					N/A

▶Scalability Runs Description

Run 1x1	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_NUM_THREADS: 1OMP_PLACES: threads
Run 1x2	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 2OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x4	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 4OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x8	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 8OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x16	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 16OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x24	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 24OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x32	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 32OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x40	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 40OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x48	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 48OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x56	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 56OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x64	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 64OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x72	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 72OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x80	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 80OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x88	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 88OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads
Run 1x96	Number processes: 1Number nodes: 1Run Command: <executable> -g "4 2 2" -bMPI Command: mpirun -n <number_processes> --bind-to core --map-by package:PE=96 --rank-by fill --report-bindings Dataset: Run Directory: /home/hbollore/qaas/qaas-runs/174-135-6342/intel/miniqmc/run/oneview_runs/multicore/armclang/oneview_run_1741388363OMP_NUM_THREADS: 96OMP_PROC_BIND: spreadOMP_DISPLAY_AFFINITY: TRUEOMP_AFFINITY_FORMAT: 'OMP: pid %P tid %i thread %n bound to OS proc set {%A}'OMP_DISPLAY_ENV: TRUEOMP_PLACES: threads

(1x1) Efficiency	(1x1) Potential Speed-Up (%)	(1x2) Efficiency	(1x2) Potential Speed-Up (%)	(1x4) Efficiency	(1x4) Potential Speed-Up (%)	(1x8) Efficiency	(1x8) Potential Speed-Up (%)	(1x16) Efficiency	(1x16) Potential Speed-Up (%)	(1x24) Efficiency	(1x24) Potential Speed-Up (%)	(1x32) Efficiency	(1x32) Potential Speed-Up (%)	(1x40) Efficiency	(1x40) Potential Speed-Up (%)	(1x48) Efficiency	(1x48) Potential Speed-Up (%)	(1x56) Efficiency	(1x56) Potential Speed-Up (%)	(1x64) Efficiency	(1x64) Potential Speed-Up (%)	(1x72) Efficiency	(1x72) Potential Speed-Up (%)	(1x80) Efficiency	(1x80) Potential Speed-Up (%)	(1x88) Efficiency	(1x88) Potential Speed-Up (%)	(1x96) Efficiency	(1x96) Potential Speed-Up (%)
1	0	1	0			2	0	1.77	0	1.84	0	0.81	0	0.99	0	0.82	0	0.58	0	0.47	0.01	0.46	0.01	0.36	0.01	0.35	0.01	0.33	0.01

Speed-Up and Efficiency

▶Detailed Speed-Up and Efficiency

Run	Number of threads	Efficiency (ideal is 1)	Speedup	Ideal Speedup	Time (s)	Coverage (%)
1x1	1	1	1	1	0.0049999998882413	0.011618477292359
1x2	1	1	1	2	0.00999999884516	0.011438292451203
1x4
1x8	4	2	2	8	0.00499999942258	0.0052111446857452
1x16	8	1.77	1.77	16	0.00999999884516	0.0049722888506949
1x24	9	1.84	1.84	24	0.014999996870756	0.0043311505578458
1x32	22	0.81	0.81	32	0.019999999552965	0.0085774222388864
1x40	28	0.99	0.99	40	0.014999997802079	0.0063848658464849
1x48	35	0.82	0.82	48	0.014999997802079	0.0070973923429847
1x56	45	0.58	0.58	56	0.025000000372529	0.0092353411018848
1x64	56	0.47	0.47	64	0.029999993741512	0.010332705453038
1x72	62	0.46	0.46	72	0.035000003874302	0.0097377030178905
1x80	74	0.36	0.36	80	0.03999999538064	0.011456154286861
1x88	81	0.35	0.35	88	0.044999994337559	0.011086555197835
1x96	91	0.33	0.33	96	0.044999998062849	0.010930688120425

Name	Coverage (%)	Time (s)
▼qmcplusplus::WaveFunction::evalGrad(qmcplusplus::ParticleSet&, int)–	0.01	0.00
○Loop 106 - WaveFunction.cpp:185-188 - exec	0.00	0.00

Report Configuration

Code clean check

Workaround

Vectorization

Details

Workaround

Expensive FP math instructions/calls

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

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Cycles and memory resources usage

ASM code

Code clean check

Workaround

Vectorization

Details

Workaround

Expensive FP math instructions/calls

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

General properties

Front-end

Back-end

Cycles summary

Vectorization ratios

Cycles and memory resources usage

ASM code

▶Scalability Runs Description

▼Columns Filter

Speed-Up and Efficiency

▶Detailed Speed-Up and Efficiency