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Global Metrics

Metric		r0	r1	r2	r3	r4	r5	r6
Total Time (s)		3.40 E3	1.72 E3	879.18	447.10	235.73	155.91	102.13
Max (Thread Active Time) (s)		3.38 E3	1.71 E3	871.75	441.53	230.94	151.01	93.08
Average Active Time (s)		3.38 E3	1.71 E3	870.34	440.73	230.48	150.70	92.84
Activity Ratio (%)		99.3	99.1	99.0	98.6	97.8	96.7	91.0
Average number of active threads		0.993	1.982	3.960	7.886	15.643	25.130	47.267
Affinity Stability (%)		100.0	100.0	100.0	99.6	99.7	99.7	92.1
Time in analyzed loops (%)		22.9	22.7	22.4	22.2	21.2	20.0	16.6
Time in analyzed innermost loops (%)		19.5	19.3	19.1	18.9	18.1	17.0	14.2
Time in user code (%)		78.0	77.2	76.0	75.0	71.8	67.6	55.3
Compilation Options Score (%)		16.7	16.7	16.7	16.7	16.7	16.7	16.7
Array Access Efficiency (%)		72.0	72.1	72.9	72.3	72.2	72.0	72.0
Potential Speedups
Perfect Flow Complexity		1.00	1.00	1.00	1.00	1.00	1.00	1.00
Perfect OpenMP/MPI/Pthread/TBB		1.00	1.01	1.01	1.02	1.04	1.06	1.09
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution		1.00	1.01	1.02	1.04	1.08	1.12	1.24
Scalability - Gap		1.00	1.01	1.03	1.05	1.11	1.19	1.56
No Scalar Integer	Potential Speedup	1.06	1.06	1.06	1.06	1.05	1.05	1.04
	Nb Loops to get 80%	8	8	8	8	8	8	8
FP Vectorised	Potential Speedup	1.05	1.04	1.04	1.04	1.04	1.04	1.03
	Nb Loops to get 80%	14	14	14	14	14	14	14
Fully Vectorised	Potential Speedup	1.23	1.23	1.22	1.22	1.21	1.20	1.16
	Nb Loops to get 80%	38	38	38	38	38	38	38
Only FP Arithmetic	Potential Speedup	1.11	1.11	1.11	1.11	1.10	1.10	1.08
	Nb Loops to get 80%	22	22	22	23	23	23	24

Scalability Speedup

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Loop Based Profiles

Innermost / Single Loops

Inbetween Loops

Outermost Loops

Cumulated Coverage With All Loops

Innermost Loop Based Profiles

Coverage

Count

Application Categorization

Time

Coverage

Compilation Options

r0r1r2r3r4r5r6

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Source Object	Issue
▼scf–
▼two_e_integrals.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼mo_overlap.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼integration.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼screening.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.
▼cholesky.irp.F90–
○	-g is missing for some functions (possibly ones added by the compiler), but debug locations are available. Some analysis may be inaccurate.
○	-O2, -O3 or -Ofast is missing.
○	-x(target) or -ax(target) is missing.

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - o1

Run 2 - o2

Run 3 - o4

Run 4 - o8

Run 5 - o16

Run 6 - o26

Run 7 - o52