OV - Compare Index

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▶Compared Reports

r0: 1x1
r1: 1x2
r2: 1x4
r3: 1x8
r4: 1x16
r5: 1x32
r6: 1x64
r7: 1x128

Global Metrics

Metric		r0	r1	r2	r3	r4	r5	r6	r7
Total Time (s)		262.70	141.04	74.28	40.44	23.30	14.27	11.15	14.59
Profiled Time (s)		262.39	140.47	73.83	40.09	22.92	13.82	10.51	13.54
Time in analyzed loops (%)		91.3	87.6	86.4	83.0	76.8	70.3	58.7	45.9
Time in analyzed innermost loops (%)		82.1	79.0	77.8	74.2	69.0	63.9	53.5	42.6
Time in user code (%)		93.6	89.7	88.4	84.9	78.5	71.9	59.4	45.7
Compilation Options Score (%)		65.7	65.6	65.4	64.9	64.8	65.1	64.0	62.2
Perfect Flow Complexity		1.01	1.01	1.01	1.01	1.01	1.01	1.03	1.05
Array Access Efficiency (%)		44.4	45.0	45.7	46.5	47.4	48.8	53.7	63.8
Perfect OpenMP + MPI + Pthread		1.00	1.01	1.04	1.07	1.10	1.14	1.25	1.40
Perfect OpenMP + MPI + Pthread + Perfect Load Distribution		1.00	1.04	1.06	1.11	1.20	1.33	1.55	1.85
No Scalar Integer	Potential Speedup	1.04	1.04	1.04	1.04	1.04	1.03	1.03	1.02
No Scalar Integer	Nb Loops to get 80%	8	9	9	9	10	10	11	9
FP Vectorised	Potential Speedup	1.05	1.05	1.06	1.06	1.06	1.05	1.06	1.07
FP Vectorised	Nb Loops to get 80%	9	9	10	11	10	10	9	6
Fully Vectorised	Potential Speedup	1.14	1.15	1.17	1.17	1.18	1.20	1.20	1.23
Fully Vectorised	Nb Loops to get 80%	19	20	21	21	19	17	17	12
Only FP Arithmetic	Potential Speedup	1.13	1.13	1.14	1.15	1.15	1.15	1.17	1.19
Only FP Arithmetic	Nb Loops to get 80%	18	19	20	20	20	19	16	10
Scalability - Gap		1.00	1.07	1.13	1.23	1.42	1.74	2.72	7.11

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Scalability Speedup

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

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Source Object	Issue
▼libgromacs.so.8–
▼fft5d.cpp–
○	-x(target) or -ax(target) is missing.
▼threaded_force_buffer.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_F.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_gather.cpp–
○	-x(target) or -ax(target) is missing.
▼calcvir.cpp–
○	-x(target) or -ax(target) is missing.
▼partition.cpp–
○	-x(target) or -ax(target) is missing.
▼unique_ptr.h–
○	-x(target) or -ax(target) is missing.
▼kernel_ElecEw_VdwLJCombLB_VF.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_prune.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc_simd.cpp–
○	-x(target) or -ax(target) is missing.
▼listoflists.h–
○	-x(target) or -ax(target) is missing.
▼vcm.cpp–
○	-x(target) or -ax(target) is missing.
▼settle.cpp–
○	-x(target) or -ax(target) is missing.
▼pairlist.cpp–
○	-x(target) or -ax(target) is missing.
▼update.cpp–
○	-x(target) or -ax(target) is missing.
▼md_support.cpp–
○	-x(target) or -ax(target) is missing.
▼kernel_common.cpp–
○	-x(target) or -ax(target) is missing.
▼mdatoms.cpp–
○	-x(target) or -ax(target) is missing.
▼lincs.cpp–
○	-x(target) or -ax(target) is missing.
▼pbc.cpp–
○	-x(target) or -ax(target) is missing.
▼fft.cpp–
○	-x(target) or -ax(target) is missing.
▼constr.cpp–
○	-x(target) or -ax(target) is missing.
▼atomdata.cpp–
○	-x(target) or -ax(target) is missing.
▼localtopology.cpp–
○	-x(target) or -ax(target) is missing.
▼vector.tcc–
○	-x(target) or -ax(target) is missing.
▼pme_solve.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_spread.cpp–
○	-x(target) or -ax(target) is missing.
▼calc_verletbuf.cpp–
○	-x(target) or -ax(target) is missing.
▼fft_mkl.cpp–
○	-x(target) or -ax(target) is missing.
▼bonded.cpp–
○	-x(target) or -ax(target) is missing.
▼pme_grid.cpp–
○	-x(target) or -ax(target) is missing.
▼sim_util.cpp–
○	-x(target) or -ax(target) is missing.
▼grid.cpp–
○	-x(target) or -ax(target) is missing.
▼mshift.cpp–
○	-x(target) or -ax(target) is missing.
▼pairs.cpp–
○	-x(target) or -ax(target) is missing.
▼domdec_constraints.cpp–
○	-x(target) or -ax(target) is missing.
▼manage_threading.cpp–
○	-x(target) or -ax(target) is missing.
▼redistribute.cpp–
○	-x(target) or -ax(target) is missing.
▼reversetopology.cpp–
○	-x(target) or -ax(target) is missing.
▼gmx–
▼–
○	-g is missing for some functions (possibly ones added by the compiler), it is needed to have more accurate reports. Other recommended flags are: -O2/-O3, -march=(target)

Path Count Profiles

Coverage

Count

Low Iteration Count Profiles

Coverage

Count

Experiment Summaries

	r0	r1	r2	r3	r4	r5	r6	r7
Application	/ccc/work/cont001/ocre/oserete/gromacs-2023.1-install-icx/bin/gmx	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Timestamp	2023-06-16 21:49:54	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Experiment Type	Sequential	OpenMP;	same as r1	same as r1	same as r1	same as r1	same as r1	same as r1
Machine	inti6200	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Architecture	x86_64	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Micro Architecture	ZEN_V3	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Model Name	AMD EPYC 7763 64-Core Processor	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Cache Size	512 KB	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of Cores	64	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Maximal Frequency	2.45 GHz	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
OS Version	Linux 4.18.0-305.88.1.el8_4.x86_64 #1 SMP Thu Apr 6 10:22:46 EDT 2023	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Architecture used during static analysis	x86_64	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Micro Architecture used during static analysis	ZEN_V3	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Compilation Options	gmx: libgromacs.so.8: clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/api/legacy/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/api/legacy/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/analysisdata/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/applied_forces/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/commandline/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/compat/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/coordinateio/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/correlationfunctions/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/fft/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gpu_utils/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/math/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/timing/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/utility/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/domdec/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdlib/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/pbcutil/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/pulling/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/topology/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/essentialdynamics/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/ewald/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/fileio/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gmxana/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gmxlib/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gmxpreprocess/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdtypes/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/hardware/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/imd/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/linearalgebra/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/listed_forces/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdrun/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdrunutility/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdspan/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mimic/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/modularsimulator/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/nbnxm/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/onlinehelp/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/options/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/random/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/restraint/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/selection/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/simd/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/statistics/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/swap/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/tables/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/taskassignment/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/tools/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/trajectory/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/trajectoryanalysis/include -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/thread_mpi/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/tng_io/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/tng/include -isystem /ccc/products/mkl-20.0.0/system/default/20.0.0/mkl/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/muparser/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/lmfit -fno-finite-math-only -O2 -g -D NDEBUG -fPIC -mavx2 -mfma -Wno-reserved-identifier -Wno-missing-field-initializers -Wno-pass-failed -Weverything -Wno-c++98-compat -Wno-c++98-compat-pedantic -Wno-source-uses-openmp -Wno-c++17-extensions -Wno-documentation-unknown-command -Wno-covered-switch-default -Wno-switch-enum -Wno-extra-semi-stmt -Wno-weak-vtables -Wno-shadow -Wno-padded -Wno-reserved-id-macro -Wno-double-promotion -Wno-exit-time-destructors -Wno-global-constructors -Wno-documentation -Wno-format-nonliteral -Wno-used-but-marked-unused -Wno-float-equal -Wno-conditional-uninitialized -Wno-conversion -Wno-disabled-macro-expansion -Wno-unused-macros -Wno-unsafe-buffer-usage -Wno-cast-function-type-strict -fiopenmp -std=c++17 -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -MF CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o.d -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp -fveclib=SVML -fheinous-gnu-extensions	libgromacs.so.8: clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.1.0 (2023.1.0.20230320) --driver-mode=g++ --intel -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/src/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/api/legacy/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/api/legacy/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/analysisdata/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/applied_forces/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/commandline/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/compat/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/coordinateio/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/correlationfunctions/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/fft/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gpu_utils/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/math/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/timing/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/utility/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/domdec/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdlib/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/pbcutil/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/pulling/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/topology/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/essentialdynamics/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/ewald/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/fileio/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gmxana/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gmxlib/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/gmxpreprocess/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdtypes/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/hardware/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/imd/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/linearalgebra/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/listed_forces/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdrun/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdrunutility/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mdspan/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/mimic/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/modularsimulator/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/nbnxm/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/onlinehelp/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/options/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/random/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/restraint/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/selection/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/simd/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/statistics/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/swap/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/tables/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/taskassignment/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/tools/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/trajectory/include -I /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/trajectoryanalysis/include -D GMX_DOUBLE=0 -D HAVE_CONFIG_H -D TMPI_EXPORTS -D TMPI_USE_VISIBILITY -D USE_STD_INTTYPES_H -D libgromacs_EXPORTS -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/thread_mpi/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/tng_io/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/BUILD_oneapi_23dot1_noscorep/tng/include -isystem /ccc/products/mkl-20.0.0/system/default/20.0.0/mkl/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/muparser/include -isystem /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/external/lmfit -fno-finite-math-only -O2 -g -D NDEBUG -fPIC -mavx2 -mfma -Wno-reserved-identifier -Wno-missing-field-initializers -Wno-pass-failed -Weverything -Wno-c++98-compat -Wno-c++98-compat-pedantic -Wno-source-uses-openmp -Wno-c++17-extensions -Wno-documentation-unknown-command -Wno-covered-switch-default -Wno-switch-enum -Wno-extra-semi-stmt -Wno-weak-vtables -Wno-shadow -Wno-padded -Wno-reserved-id-macro -Wno-double-promotion -Wno-exit-time-destructors -Wno-global-constructors -Wno-documentation -Wno-format-nonliteral -Wno-used-but-marked-unused -Wno-float-equal -Wno-conditional-uninitialized -Wno-conversion -Wno-disabled-macro-expansion -Wno-unused-macros -Wno-unsafe-buffer-usage -Wno-cast-function-type-strict -fiopenmp -std=c++17 -MD -MT src/gromacs/CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -MF CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o.d -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /ccc/work/cont001/ocre/oserete/gromacs-2023.1/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp -fveclib=SVML -fheinous-gnu-extensions gmx:	same as r1	same as r1	same as r1	same as r0	same as r1	same as r0
Number of processes observed	1	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of threads observed	1	2	4	8	16	32	64	128
Frequency Driver	acpi-cpufreq	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Frequency Governor	performance	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Huge Pages	always	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Hyperthreading	on	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of sockets	2	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Number of cores per socket	64	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
MAQAO version	2.17.4	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
MAQAO build	Build information not available	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0
Comments	GROMACS compiled with icx, OV1, 1 to 128 threads, run on AMD milan, 2000 steps	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0	same as r0

Report Configuration

▶Compared Reports

Global Metrics

Cumulated Speedup If No Scalar Integer

Cumulated Speedup If FP Vectorized

Cumulated Speedup If Fully Vectorized

Cumulated Speedup If Only FP Arithmetic

Scalability Speedup

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

Path Count Profiles

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Low Iteration Count Profiles

Coverage

Count

Experiment Summaries