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Global Metrics

Metric		r0	r1	r2	r3	r4	r5
Total Time (s)		83.28	50.75	90.56	83.21	50.81	90.99
Max (Thread Active Time) (s)		81.70	48.43	88.39	81.76	48.33	88.46
Average Active Time (s)		81.22	48.25	88.29	81.48	48.18	88.37
Activity Ratio (%)		97.9	95.5	97.8	98.2	95.4	97.4
Average number of active threads		187.244	182.521	187.203	187.998	182.069	186.490
Affinity Stability (%)		98.0	95.7	97.8	98.4	95.6	97.5
GFLOPS		478.910	877.653	370.279	477.678	879.531	356.955
Time in analyzed loops (%)		89.0	84.5	90.0	89.9	84.4	90.6
Time in analyzed innermost loops (%)		86.8	57.9	87.4	87.9	57.7	86.5
Time in user code (%)		91.2	88.2	92.0	92.2	88.1	92.6
Compilation Options Score (%)		100	66.7	75.0	100	100	87.5
Array Access Efficiency (%)		75.2	49.0	81.2	75.3	49.0	74.7
Potential Speedups
Perfect Flow Complexity		1.01	1.01	1.01	1.01	1.01	2.07
Perfect OpenMP/MPI/Pthread/TBB		1.04	1.05	1.03	1.03	1.04	1.02
Perfect OpenMP/MPI/Pthread/TBB + Perfect Load Distribution		1.07	1.07	1.06	1.06	1.07	1.05
No Scalar Integer	Potential Speedup	1.16	1.02	1.11	1.19	1.02	1.12
	Nb Loops to get 80%	2	8	5	2	8	5
FP Vectorised	Potential Speedup	1.58	1.01	1.51	1.63	1.01	1.36
	Nb Loops to get 80%	4	4	5	4	4	5
Fully Vectorised	Potential Speedup	4.38	1.07	4.82	4.57	1.07	6.37
	Nb Loops to get 80%	12	15	12	13	15	17
Only FP Arithmetic	Potential Speedup	1.26	3.70	1.36	1.29	3.68	1.44
	Nb Loops to get 80%	7	14	6	6	14	8

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

r0r1r2r3r4r5

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○
▼fix_nve_intel.cpp–
○
▼thermo.cpp–
○
▼procmap.cpp–
○
▼stl_tree.h–
○
▼atom.cpp–
○
▼platform.cpp–
○
▼atom_vec.h–
○
▼create_atoms.cpp–
○
▼lattice.cpp–
○
▼input.cpp–
○
▼fix_intel.h–
○
▼intel_buffers.cpp–
○
▼random_park.cpp–
○
▼output.cpp–
○
▼compute.cpp–
○
▼atom_vec.cpp–
○
▼nbin_intel.cpp–
○
▼npair.cpp–
○
▼npair_intel.cpp–
○
▼fix_intel.cpp–
○
▼new_allocator.h–
○
▼neighbor.cpp–
○
▼group.cpp–
○
▼compute_temp.cpp–
○
▼velocity.cpp–
○
▼nbin.cpp–
○
▼integrate.cpp–
○
▼modify.cpp–
○
▼npair_bin_intel.cpp–
○
▼variable.cpp–
○
▼pair_eam.cpp–
○
▼comm_brick.cpp–
○
▼verlet.cpp–
○
▼domain_omp.cpp–
○
▼stl_map.h–
○
▼memory.h–
○
▼timer.cpp–
○
▼memory.cpp–
○
▼utils.cpp–
○

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼fix_nve_intel.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼thermo.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼procmap.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼stl_tree.h–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼atom.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼platform.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼stl_vector.h–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼atom_vec.h–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼create_atoms.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼lattice.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼verlet.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼intel_buffers.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼pair.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼random_park.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼main.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼run.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼compute.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼atom_vec.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼nbin_intel.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼npair_intel.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼fix_intel.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼neighbor.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼group.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼compute_temp.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼hashtable.h–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼velocity.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼integrate.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼modify.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼npair_bin_intel.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼variable.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼pair_eam.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼comm_brick.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼nbin.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼stl_map.h–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼compute_pe.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼timer.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼memory.h–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2
▼domain_omp.cpp–
○	-xHost or -march=native should not be used with Intel compilers while targeting (or compiling on) non-Intel processors, use -mavx2

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○	-funroll-loops is missing.
▼nstencil.cpp–
○	-funroll-loops is missing.
▼fix_nve_intel.cpp–
○	-funroll-loops is missing.
▼stl_map.h–
○	-funroll-loops is missing.
▼stl_tree.h–
○	-funroll-loops is missing.
▼atom.cpp–
○	-funroll-loops is missing.
▼platform.cpp–
○	-funroll-loops is missing.
▼domain_omp.cpp–
○	-funroll-loops is missing.
▼lattice.cpp–
○	-funroll-loops is missing.
▼compute_pressure.cpp–
○	-funroll-loops is missing.
▼intel_buffers.cpp–
○	-funroll-loops is missing.
▼random_park.cpp–
○	-funroll-loops is missing.
▼update.cpp–
○	-funroll-loops is missing.
▼compute.cpp–
○	-funroll-loops is missing.
▼atom_vec.cpp–
○	-funroll-loops is missing.
▼nbin_intel.cpp–
○	-funroll-loops is missing.
▼npair.cpp–
○	-funroll-loops is missing.
▼npair_intel.cpp–
○	-funroll-loops is missing.
▼fix_intel.cpp–
○	-funroll-loops is missing.
▼neighbor.cpp–
○	-funroll-loops is missing.
▼citeme.cpp–
○	-funroll-loops is missing.
▼vector.tcc–
○	-funroll-loops is missing.
▼compute_temp.cpp–
○	-funroll-loops is missing.
▼velocity.cpp–
○	-funroll-loops is missing.
▼integrate.cpp–
○	-funroll-loops is missing.
▼modify.cpp–
○	-funroll-loops is missing.
▼variable.cpp–
○	-funroll-loops is missing.
▼pair_eam.cpp–
○	-funroll-loops is missing.
▼verlet.cpp–
○	-funroll-loops is missing.
▼comm_brick.cpp–
○	-funroll-loops is missing.
▼fix_intel.h–
○	-funroll-loops is missing.
▼nbin.cpp–
○	-funroll-loops is missing.
▼thermo.cpp–
○	-funroll-loops is missing.
▼timer.cpp–
○	-funroll-loops is missing.
▼group.cpp–
○	-funroll-loops is missing.
▼create_atoms.cpp–
○	-funroll-loops is missing.

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○
▼fix_nve_intel.cpp–
○
▼stl_map.h–
○
▼stl_tree.h–
○
▼atom.cpp–
○
▼platform.cpp–
○
▼atom_vec.h–
○
▼create_atoms.cpp–
○
▼lattice.cpp–
○
▼input.cpp–
○
▼compute_pressure.cpp–
○
▼intel_buffers.cpp–
○
▼random_park.cpp–
○
▼lammps.cpp–
○
▼compute.cpp–
○
▼atom_vec.cpp–
○
▼nbin_intel.cpp–
○
▼npair_intel.cpp–
○
▼fix_intel.cpp–
○
▼utils.cpp–
○
▼neighbor.cpp–
○
▼group.cpp–
○
▼compute_temp.cpp–
○
▼hashtable.h–
○
▼velocity.cpp–
○
▼verlet.cpp–
○
▼integrate.cpp–
○
▼modify.cpp–
○
▼nbin.cpp–
○
▼variable.cpp–
○
▼pair_eam.cpp–
○
▼comm_brick.cpp–
○
▼finish.cpp–
○
▼domain_omp.cpp–
○
▼fix_intel.h–
○
▼basic_string.h–
○
▼timer.cpp–
○
▼force.cpp–
○
▼memory.h–
○

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○
▼fix_nve_intel.cpp–
○
▼thermo.cpp–
○
▼stl_tree.h–
○
▼atom.cpp–
○
▼platform.cpp–
○
▼atom_vec.h–
○
▼memory.h–
○
▼lattice.cpp–
○
▼fix_intel.h–
○
▼intel_buffers.cpp–
○
▼random_park.cpp–
○
▼compute.cpp–
○
▼atom_vec.cpp–
○
▼nbin_intel.cpp–
○
▼npair.cpp–
○
▼npair_intel.cpp–
○
▼fix_intel.cpp–
○
▼new_allocator.h–
○
▼neighbor.cpp–
○
▼compute_pe.cpp–
○
▼group.cpp–
○
▼compute_temp.cpp–
○
▼hashtable.h–
○
▼domain.cpp–
○
▼velocity.cpp–
○
▼comm_brick.cpp–
○
▼integrate.cpp–
○
▼modify.cpp–
○
▼npair_bin_intel.cpp–
○
▼variable.cpp–
○
▼pair_eam.cpp–
○
▼create_atoms.cpp–
○
▼finish.cpp–
○
▼domain_omp.cpp–
○
▼stl_map.h–
○
▼basic_string.h–
○
▼timer.cpp–
○
▼verlet.cpp–
○
▼nbin.cpp–
○

Source Object	Issue
▼exec–
▼pair_eam_intel.cpp–
○	-O3 or -Ofast is missing.
▼fix_nve_intel.cpp–
○	-O3 or -Ofast is missing.
▼stl_map.h–
○	-O3 or -Ofast is missing.
▼stl_tree.h–
○	-O3 or -Ofast is missing.
▼atom.cpp–
○	-O3 or -Ofast is missing.
▼platform.cpp–
○	-O3 or -Ofast is missing.
▼create_atoms.cpp–
○	-O3 or -Ofast is missing.
▼lattice.cpp–
○	-O3 or -Ofast is missing.
▼input.cpp–
○	-O3 or -Ofast is missing.
▼fix_intel.h–
○	-O3 or -Ofast is missing.
▼intel_buffers.cpp–
○	-O3 or -Ofast is missing.
▼random_park.cpp–
○	-O3 or -Ofast is missing.
▼lammps.cpp–
○	-O3 or -Ofast is missing.
▼compute.cpp–
○	-O3 or -Ofast is missing.
▼atom_vec.cpp–
○	-O3 or -Ofast is missing.
▼nbin_intel.cpp–
○	-O3 or -Ofast is missing.
▼npair.cpp–
○	-O3 or -Ofast is missing.
▼npair_intel.cpp–
○	-O3 or -Ofast is missing.
▼nbin.cpp–
○	-O3 or -Ofast is missing.
▼neighbor.cpp–
○	-O3 or -Ofast is missing.
▼group.cpp–
○	-O3 or -Ofast is missing.
▼comm_brick.cpp–
○	-O3 or -Ofast is missing.
▼domain.cpp–
○	-O3 or -Ofast is missing.
▼velocity.cpp–
○	-O3 or -Ofast is missing.
▼integrate.cpp–
○	-O3 or -Ofast is missing.
▼modify.cpp–
○	-O3 or -Ofast is missing.
▼variable.cpp–
○	-O3 or -Ofast is missing.
▼pair_eam.cpp–
○	-O3 or -Ofast is missing.
▼compute_pe.cpp–
○	-O3 or -Ofast is missing.
▼fix_intel.cpp–
○	-O3 or -Ofast is missing.
▼domain_omp.cpp–
○	-O3 or -Ofast is missing.
▼verlet.cpp–
○	-O3 or -Ofast is missing.
▼timer.cpp–
○	-O3 or -Ofast is missing.
▼compute_pressure.cpp–
○	-O3 or -Ofast is missing.
▼compute_temp.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 - icx_default

Run 3 - gcc_default

Run 4 - aocc_2

Run 5 - icx_2

Run 6 - gcc_10