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Global Metrics

Metric		r0	r1	r2	r3
Total Time (s)		50.75	89.41	51.02	86.55
Max (Thread Active Time) (s)		34.68	77.39	34.91	75.07
Average Active Time (s)		34.05	76.94	34.19	74.69
Activity Ratio (%)		68.0	86.6	67.4	87.0
Average number of active threads		171.773	220.295	171.536	220.923
Affinity Stability (%)		71.8	87.4	71.2	87.8
GFLOPS		1.28 E3	429.082	1.27 E3	446.837
Time in analyzed loops (%)		84.5	91.0	84.9	90.7
Time in analyzed innermost loops (%)		57.0	88.5	57.4	86.1
Time in user code (%)		88.8	91.2	89.1	92.7
Compilation Options Score (%)		100	50.0	100	87.5
Array Access Efficiency (%)		50.8	65.5	51.2	71.1
Potential Speedups
Perfect Flow Complexity		1.01	1.01	1.01	1.97
Perfect OpenMP/MPI/Pthread/TBB		1.06	1.02	1.07	1.02
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution		1.11	1.09	1.11	1.07
No Scalar Integer	Potential Speedup	1.06	1.06	1.06	1.07
	Nb Loops to get 80%	7	6	7	6
FP Vectorised	Potential Speedup	1.01	2.05	1.01	1.64
	Nb Loops to get 80%	4	5	4	5
Fully Vectorised	Potential Speedup	1.10	5.95	1.10	5.88
	Nb Loops to get 80%	15	17	15	18
Only FP Arithmetic	Potential Speedup	2.41	1.11	2.42	1.20
	Nb Loops to get 80%	12	10	12	12

FLOPS Breakdown

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

r0r1r2r3

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○
▼fix_nve_intel.cpp–
○
▼thermo.cpp–
○
▼stl_tree.h–
○
▼atom.cpp–
○
▼platform.cpp–
○
▼stl_vector.h–
○
▼atom_vec.h–
○
▼memory.h–
○
▼lattice.cpp–
○
▼input.cpp–
○
▼fix_intel.h–
○
▼intel_buffers.cpp–
○
▼random_park.cpp–
○
▼run.cpp–
○
▼compute.cpp–
○
▼atom_vec.cpp–
○
▼nbin_intel.cpp–
○
▼npair.cpp–
○
▼npair_intel.cpp–
○
▼nbin.cpp–
○
▼update.cpp–
○
▼fix_intel.cpp–
○
▼comm_brick.cpp–
○
▼new_allocator.h–
○
▼domain_omp.cpp–
○
▼neighbor.cpp–
○
▼lammps.cpp–
○
▼group.cpp–
○
▼compute_temp.cpp–
○
▼npair_bin_intel.cpp–
○
▼domain.cpp–
○
▼velocity.cpp–
○
▼region_block.cpp–
○
▼integrate.cpp–
○
▼modify.cpp–
○
▼format-inl.h–
○
▼variable.cpp–
○
▼pair_eam.cpp–
○
▼stl_map.h–
○
▼comm.cpp–
○
▼verlet.cpp–
○
▼basic_string.h–
○
▼pair.h–
○
▼timer.cpp–
○
▼force.cpp–
○
▼create_atoms.cpp–
○

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼npair_intel.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼fix_nve_intel.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼fix_intel.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼atom.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼platform.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼neighbor.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼group.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼domain_omp.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼lattice.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼verlet.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼intel_buffers.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼modify.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼random_park.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼pair_eam.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼create_atoms.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼compute_temp.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼comm_brick.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼fix_intel.h–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼compute.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼atom_vec.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼nbin.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.
▼nbin_intel.cpp–
○	-march=x86-64 is used but it should be replaced by a more architecture specific option or -march=native.
○	-funroll-loops is missing.

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○
▼fix_nve_intel.cpp–
○
▼stl_map.h–
○
▼procmap.cpp–
○
▼stl_tree.h–
○
▼atom.cpp–
○
▼platform.cpp–
○
▼atom_vec.h–
○
▼create_atoms.cpp–
○
▼lattice.cpp–
○
▼input.cpp–
○
▼verlet.cpp–
○
▼intel_buffers.cpp–
○
▼random_park.cpp–
○
▼lammps.cpp–
○
▼output.cpp–
○
▼compute.cpp–
○
▼atom_vec.cpp–
○
▼array–
○
▼nbin_intel.cpp–
○
▼npair_intel.cpp–
○
▼fix_intel.cpp–
○
▼universe.cpp–
○
▼compute_pe.h–
○
▼compute_temp.h–
○
▼utils.cpp–
○
▼memory.h–
○
▼neighbor.cpp–
○
▼comm_brick.cpp–
○
▼group.cpp–
○
▼compute_temp.cpp–
○
▼fix_intel.h–
○
▼domain.cpp–
○
▼velocity.cpp–
○
▼atom_vec_atomic.cpp–
○
▼integrate.cpp–
○
▼modify.cpp–
○
▼format-inl.h–
○
▼variable.cpp–
○
▼pair_eam.cpp–
○
▼npair_bin_intel.cpp–
○
▼compute_pressure.cpp–
○
▼domain_omp.cpp–
○
▼thermo.cpp–
○
▼lmppython.cpp–
○
▼timer.cpp–
○
▼force.cpp–
○
▼nbin.cpp–
○

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○	-O3 or -Ofast is missing.
▼npair_intel.cpp–
○	-O3 or -Ofast is missing.
▼fix_nve_intel.cpp–
○	-O3 or -Ofast is missing.
▼nbin.cpp–
○	-O3 or -Ofast is missing.
▼atom.cpp–
○	-O3 or -Ofast is missing.
▼platform.cpp–
○	-O3 or -Ofast is missing.
▼neighbor.cpp–
○	-O3 or -Ofast is missing.
▼group.cpp–
○	-O3 or -Ofast is missing.
▼domain_omp.cpp–
○	-O3 or -Ofast is missing.
▼lattice.cpp–
○	-O3 or -Ofast is missing.
▼verlet.cpp–
○	-O3 or -Ofast is missing.
▼intel_buffers.cpp–
○	-O3 or -Ofast is missing.
▼modify.cpp–
○	-O3 or -Ofast is missing.
▼random_park.cpp–
○	-O3 or -Ofast is missing.
▼pair_eam.cpp–
○	-O3 or -Ofast is missing.
▼create_atoms.cpp–
○	-O3 or -Ofast is missing.
▼comm_brick.cpp–
○	-O3 or -Ofast is missing.
▼compute_temp.cpp–
○	-O3 or -Ofast is missing.
▼fix_intel.h–
○	-O3 or -Ofast is missing.
▼compute.cpp–
○	-O3 or -Ofast is missing.
▼atom_vec.cpp–
○	-O3 or -Ofast is missing.
▼fix_intel.cpp–
○	-O3 or -Ofast is missing.
▼nbin_intel.cpp–
○	-O3 or -Ofast is missing.

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Average Number of Active Threads

Run 1 - orig_default

Run 2 - gcc_default

Run 3 - icx_2

Run 4 - gcc_7