OV - gmx - Loops

Run 1x1	Number processes: 1Number nodes: 1Number processes per node: 1Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Dataset: Run Directory: .OMP_NUM_THREADS: 1
Run 1x2	OMP_NUM_THREADS: 2
Run 1x4	OMP_NUM_THREADS: 4
Run 1x8	OMP_NUM_THREADS: 8
Run 1x16	OMP_NUM_THREADS: 16
Run 1x32	OMP_NUM_THREADS: 32
Run 1x64	OMP_NUM_THREADS: 64
Run 1x128	OMP_NUM_THREADS: 128

Loop id	Source Location	Source Function	Level	Coverage 1x1 (%)	Coverage 1x2 (%)	Coverage 1x4 (%)	Coverage 1x8 (%)	Coverage 1x16 (%)	Coverage 1x32 (%)	Coverage 1x64 (%)	Coverage 1x128 (%)	Max Time Over Threads 1x1 (s)	Max Time Over Threads 1x2 (s)	Max Time Over Threads 1x4 (s)	Max Time Over Threads 1x8 (s)	Max Time Over Threads 1x16 (s)	Max Time Over Threads 1x32 (s)	Max Time Over Threads 1x64 (s)	Max Time Over Threads 1x128 (s)	Time w.r.t. Wall Time 1x1 (s)	Time w.r.t. Wall Time 1x2 (s)	Time w.r.t. Wall Time 1x4 (s)	Time w.r.t. Wall Time 1x8 (s)	Time w.r.t. Wall Time 1x16 (s)	Time w.r.t. Wall Time 1x32 (s)	Time w.r.t. Wall Time 1x64 (s)	Time w.r.t. Wall Time 1x128 (s)	Nb Threads 1x1	Nb Threads 1x2	Nb Threads 1x4	Nb Threads 1x8	Nb Threads 1x16	Nb Threads 1x32	Nb Threads 1x64	Nb Threads 1x128	Vectorization Ratio (%)	Vector Length Use (%)	Speedup If No Scalar Integer	Speedup If FP Vectorized	Speedup If Fully Vectorized	Speedup If Perfect Load Balancing 1x1	Speedup If Perfect Load Balancing 1x2	Speedup If Perfect Load Balancing 1x4	Speedup If Perfect Load Balancing 1x8	Speedup If Perfect Load Balancing 1x16	Speedup If Perfect Load Balancing 1x32	Speedup If Perfect Load Balancing 1x64	Speedup If Perfect Load Balancing 1x128	Stride 0	Stride 1	Stride n	Stride Unknown	Stride Indirect	(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 (%)	(1x32) Efficiency	(1x32) Potential Speed-Up (%)	(1x64) Efficiency	(1x64) Potential Speed-Up (%)	(1x128) Efficiency	(1x128) Potential Speed-Up (%)
605	libgromacs.so.8 - kernel_outer.h:431-431 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	38.33	35.87	34.18	32.11	27.86	23.75	16.21	6.37	100.58	55.01	31.76	16.09	7.78	3.96	2.11	1.21	100.58	50.38	25.23	12.87	6.39	3.28	1.7	0.86	1	2	4	8	16	32	64	128	80.72	83.18	1	1	1	1	1.09	1.27	1.27	1.26	1.27	1.33	1.48	2	0	1	2	5	1	0	1	0.06	1	0.12	0.98	0.74	0.98	0.45	0.96	0.99	0.92	1.22	0.91	0.55
603	libgromacs.so.8 - kernel_outer.h:452-452 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	15.72	14.29	13.91	12.81	11.51	9.49	6.42	2.55	41.24	26.92	15.38	8.12	4.37	2.43	1.64	0.93	41.24	20.07	10.27	5.14	2.64	1.31	0.67	0.34	1	2	4	8	16	32	64	128	82.47	84.7	1	1	1	1	1.34	1.51	1.61	1.71	1.96	2.6	2.82	2	0	1	2	5	1	0	1.03	0	1	0	1	0	0.98	0.27	0.98	0.15	0.96	0.25	0.95	0.13
612	libgromacs.so.8 - kernel_outer.h:431-431 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	5.88	5.29	5.02	4.67	4.14	3.6	2.45	0.98	15.44	8.09	4.66	2.45	1.2	0.62	0.34	0.22	15.44	7.42	3.7	1.87	0.95	0.5	0.26	0.13	1	2	4	8	16	32	64	128	84.2	86.21	1	1	1	1	1.09	1.27	1.33	1.3	1.32	1.42	1.69	2	0	1	3	4	1	0	1.04	0	1.04	0	1.03	0	1.02	0	0.96	0.13	0.93	0.18	0.93	0.07
16294	libgromacs.so.8 - pme_spread.cpp:358-400 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	2.65	2.14	2.17	2.08	1.96	1.34	1.03	0.66	6.94	3.58	1.88	1.3	0.65	0.24	0.15	0.17	6.94	3	1.6	0.83	0.45	0.18	0.11	0.09	1	2	4	8	16	32	64	127	59.09	36.51	1.88	1.67	3.9	1	1.2	1.18	1.59	1.48	1.33	1.5	1.89	NA	NA	NA	NA	NA	1	0	1.16	0	1.08	0	1.05	0	0.96	0.07	1.2	0	0.99	0.01	0.6	0.26
610	libgromacs.so.8 - kernel_outer.h:452-452 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	2.33	2.16	2.11	2.04	1.79	1.46	1.01	0.41	6.12	4.05	2.37	1.31	0.69	0.38	0.28	0.16	6.12	3.04	1.56	0.82	0.41	0.2	0.11	0.05	1	2	4	8	16	32	64	127	87.33	88.91	1	1	1	1	1.34	1.53	1.64	1.72	2	2.8	3.2	3	0	1	4	4	1	0	1.01	0	0.98	0.04	0.93	0.14	0.93	0.12	0.96	0.06	0.87	0.13	0.96	0.02
606	libgromacs.so.8 - impl_x86_avx_256_simd_float.h:96-406 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.87	1.61	1.63	1.46	1.35	1.17	0.69	0.27	4.91	2.34	1.54	0.73	0.47	0.25	0.11	0.09	4.91	2.26	1.2	0.58	0.31	0.16	0.07	0.04	1	2	4	8	16	32	64	128	85.31	87.04	1	1	1	1	1.04	1.29	1.28	1.57	1.67	1.57	3	2	1	1	9	1	1	0	1.09	0	1.02	0	1.06	0	0.99	0.01	0.96	0.05	1.1	0	0.96	0.01
16008	libgromacs.so.8 - pme_gather.cpp:156-156 [...]	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Innermost	1.86	2.27	2.17	2.04	1.57	1.32	1.36	1.32	4.88	3.73	1.74	1	0.48	0.26	0.21	0.28	4.88	3.19	1.6	0.82	0.36	0.18	0.14	0.18	1	2	4	8	16	32	64	127	90.91	82.95	1	1	1.06	1	1.17	1.09	1.25	1.37	1.53	1.62	1.65	0	2	0	3	0	1	0	0.76	0.53	0.76	0.52	0.74	0.52	0.85	0.24	0.85	0.2	0.54	0.62	0.21	1.04
16009	libgromacs.so.8 - pme_gather.cpp:94-348 [...]	gather_f_bsplines(gmx_pme_t const, float const, bool, PmeAtomComm const, splinedata_t const, float)	Outermost	1.71	1.67	1.68	1.69	1.39	1.25	0.87	0.52	4.5	2.59	1.56	0.81	0.4	0.23	0.14	0.15	4.5	2.34	1.24	0.68	0.32	0.17	0.09	0.07	1	2	4	8	16	32	64	125	48.82	30.54	1.87	1.74	7.07	1	1.11	1.27	1.21	1.29	1.44	1.56	2.14	NA	NA	NA	NA	NA	1	0	0.96	0.06	0.91	0.16	0.83	0.29	0.88	0.17	0.83	0.22	0.78	0.19	0.5	0.26
604	libgromacs.so.8 - impl_x86_avx_256_simd_float.h:96-406 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.43	1.44	1.29	1.25	1.07	0.91	0.58	0.21	3.75	2.61	1.45	0.89	0.43	0.26	0.17	0.1	3.75	2.02	0.95	0.5	0.25	0.13	0.06	0.03	1	2	4	8	16	32	64	120	86.03	87.68	1	1	1	1	1.29	1.53	1.82	1.79	2.17	2.83	3.33	2	1	1	9	1	1	0	0.93	0.1	0.99	0.02	0.94	0.08	0.94	0.07	0.9	0.09	0.98	0.01	0.98	0
16301	libgromacs.so.8 - pme_spread.cpp:277-975 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	InBetween	1.42	1.38	1.38	1.98	1.54	1.16	0.85	0.43	3.73	2.25	1.19	0.94	0.47	0.22	0.14	0.13	3.73	1.94	1.02	0.79	0.35	0.16	0.09	0.06	1	2	4	8	16	32	64	128	45.49	31.3	1	1.77	2.65	1	1.16	1.18	1.21	1.38	1.47	1.75	2.6	NA	NA	NA	NA	NA	1	0	0.96	0.05	0.91	0.12	0.59	0.81	0.67	0.51	0.73	0.31	0.65	0.3	0.49	0.22
16378	libgromacs.so.8 - fft5d.cpp:853-855	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	1.41	2.74	3.6	3.43	4.22	6.89	6	6.99	3.69	3.87	2.73	1.55	1.07	1.01	0.79	1.51	3.69	3.85	2.66	1.37	0.97	0.95	0.63	0.95	1	2	4	8	16	32	64	128	0	25	1	1.09	4.36	1	1.01	1.03	1.15	1.14	1.12	1.34	1.68	1	0	0	4	0	1	0	0.48	1.43	0.35	2.35	0.34	2.28	0.24	3.22	0.12	6.05	0.09	5.45	0.03	6.78
600	libgromacs.so.8 - kernel_outer.h:206-496 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Outermost	1.21	1.16	1.06	1.01	0.88	0.68	0.46	0.17	3.17	1.68	0.95	0.66	0.32	0.15	0.12	0.06	3.17	1.62	0.78	0.4	0.2	0.09	0.05	0.02	1	2	4	8	16	32	64	127	68	57.35	1.03	1.48	1.98	1	1.04	1.22	1.65	1.6	1.67	3	3	NA	NA	NA	NA	NA	1	0	0.98	0.03	1.02	0	0.99	0.01	0.99	0.01	1.1	0	0.99	0	1.24	0
1133	libgromacs.so.8 - kernel_prune.cpp:115-167 [...]	nbnxn_kernel_prune_4xn(NbnxnPairlistCpu, nbnxn_atomdata_t const, gmx::ArrayRef<gmx::BasicVector<float> const>, float)	Innermost	1.01	0.94	0.95	0.8	1.04	0.69	0.44	0.27	2.65	1.36	0.71	0.36	0.31	0.12	0.07	0.07	2.64	1.32	0.7	0.32	0.24	0.09	0.05	0.04	1	2	4	8	16	32	64	128	88.64	90.34	1.08	1	1.08	1	1.04	1.03	1.13	1.35	1.33	1.75	2.33	1	1	0	1	1	1	0	1	0	0.94	0.05	1.03	0	0.69	0.32	0.92	0.06	0.82	0.08	0.52	0.13
601	libgromacs.so.8 - kernel_outer.h:473-473 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	1.01	1	0.85	0.81	0.76	0.65	0.43	0.18	2.66	1.73	0.74	0.43	0.27	0.18	0.09	0.07	2.66	1.4	0.63	0.32	0.17	0.09	0.04	0.02	1	2	4	8	16	32	58	105	96.92	97.39	1	1	1	1	1.24	1.17	1.34	1.59	2	1.8	2.33	2	0	1	4	2	1	0	0.95	0.05	1.06	0	1.04	0	0.98	0.02	0.92	0.05	1.04	0	1.04	0
14469	libgromacs.so.8 - settle.cpp:425-425 [...]	void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const>(gmx::SettleData const&, int, int, float const, float const, float, float, float, bool, float () [3], bool*)	Single	0.83	0.66	0.71	0.72	0.8	0.75	0.7	0.81	2.17	0.95	0.68	0.34	0.26	0.15	0.12	0.2	2.17	0.92	0.52	0.29	0.18	0.1	0.07	0.11	1	2	4	8	16	32	64	128	96.57	81.42	1.11	1	1.16	1	1.03	1.31	1.17	1.44	1.5	1.71	2	2	0	0	45	1	1	0	1.18	0	1.04	0	0.94	0.05	0.75	0.2	0.68	0.24	0.48	0.36	0.15	0.69
14197	libgromacs.so.8 - lincs.cpp:278-295 [...]	gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)	InBetween	0.77	0.7	0.61	0.54	0.62	0.63	0.71	0.64	2.01	1.02	0.51	0.24	0.26	0.17	0.15	0.19	2.01	0.98	0.45	0.22	0.14	0.09	0.08	0.09	1	2	4	8	16	32	64	128	22.94	24.82	1.9	2.53	6.45	1	1.04	1.16	1.14	1.86	2.13	2.14	2.38	1	0.5	0.5	4	2	1	0	1.03	0	1.12	0	1.14	0	0.9	0.06	0.7	0.19	0.39	0.43	0.17	0.53
3497	libgromacs.so.8 - pairlist_simd_4xm.h:136-193 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.76	0.66	0.71	0.65	0.63	0.5	0.34	0.11	2	0.94	0.55	0.28	0.19	0.11	0.06	0.03	2	0.92	0.52	0.26	0.14	0.07	0.04	0.02	1	2	4	8	16	32	64	116	73.85	58.24	1.25	1.19	1.42	1	1.02	1.06	1.12	1.36	1.57	2	1.5	2.5	0	1	0.5	0	1	0	1.09	0	0.96	0.03	0.96	0.03	0.89	0.07	0.89	0.05	0.78	0.07	0.78	0.02
15641	libgromacs.so.8 - bonded.cpp:1151-1170 [...]	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float*...	Single	0.67	0.62	0.59	0.57	0.6	0.54	0.49	0.43	1.76	0.87	0.54	0.3	0.24	0.13	0.1	0.11	1.76	0.86	0.43	0.23	0.14	0.07	0.05	0.06	1	2	4	8	16	32	64	128	73.84	59.89	1.28	1.01	1.36	1	1.01	1.26	1.3	1.85	1.86	2	2.2	NA	NA	NA	NA	NA	1	0	1.02	0	1.02	0	0.96	0.02	0.79	0.13	0.79	0.12	0.55	0.22	0.23	0.33
16371	libgromacs.so.8 - fft5d.cpp:916-918	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.64	0.56	0.79	0.84	0.77	0.41	0.6	0.54	1.69	0.82	0.67	0.4	0.23	0.09	0.12	0.25	1.69	0.79	0.58	0.34	0.18	0.06	0.06	0.07	1	2	4	8	16	32	64	128	0	25	1.21	1	4	1	1.04	1.16	1.21	1.35	1.8	2	3.57	0	1	0	4	0	1	0	1.07	0	0.73	0.21	0.62	0.32	0.59	0.32	0.88	0.05	0.44	0.34	0.19	0.44
16319	libgromacs.so.8 - pme_spread.cpp:104-133 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0.6	0	0	0	0	0	0	0	1.57								1.57								1								18.75	19.53	1.05	1.52	3.67	1	0	0	0	0	0	0	0	1	3	0	0	5	1	0
15873	libgromacs.so.8 - pairs.cpp:863-884 [...]	void do_pairs_simple<gmx::SimdFloat, 8, float const>(int, int const, t_iparams const, float const () [3], float () [4], float const, gmx::ArrayRef<float const>, float)	Single	0.58	0.57	0.5	0.49	0.43	0.32	0.21	0.08	1.53	0.86	0.42	0.27	0.13	0.07	0.06	0.03	1.53	0.79	0.37	0.2	0.1	0.04	0.02	0.01	1	2	4	8	16	32	63	111	66.81	49.79	1.68	1.02	1.31	1	1.09	1.14	1.42	1.3	1.75	3	3	NA	NA	NA	NA	NA	1	0	0.97	0.02	1.03	0	0.96	0.02	0.96	0.02	1.2	0	1.2	0	1.2	0
14198	libgromacs.so.8 - lincs.cpp:290-292	gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)	Innermost	0.54	0.49	0.43	0.39	0.43	0.39	0.36	0.46	1.42	0.71	0.34	0.23	0.13	0.09	0.06	0.16	1.42	0.69	0.32	0.16	0.1	0.05	0.04	0.06	1	2	4	8	16	32	64	128	0	12.5	1	2.91	8	1	1.03	1.06	1.53	1.44	1.8	1.5	2.67	0	2	0	0	1	1	0	1.03	0	1.11	0	1.11	0	0.89	0.05	0.89	0.04	0.55	0.16	0.18	0.37
3490	libgromacs.so.8 - pairlist_simd_4xm.h:136-273 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	InBetween	0.5	0.47	0.42	0.38	0.34	0.32	0.19	0.07	1.3	0.68	0.36	0.18	0.11	0.08	0.04	0.03	1.3	0.66	0.31	0.15	0.08	0.04	0.02	0.01	1	2	4	8	16	32	63	111	13.48	19.98	2.82	2.77	11.55	1	1.03	1.16	1.2	1.57	2	2	3	NA	NA	NA	NA	NA	1	0	0.98	0.01	1.05	0	1.08	0	1.02	0	1.02	0	1.02	-0	1.02	-0
14201	libgromacs.so.8 - lincs.cpp:376-391 [...]	gmx::lincs_update_atoms(gmx::Lincs, int, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, float () [3])	Single	0.46	0	0	0	0	0	0	0	1.21								1.21								1								27.78	22.22	1	1.17	5.17	1	0	0	0	0	0	0	0	0	2	1	3	1	1	0
15650	libgromacs.so.8 - bonded.cpp:2066-2126 [...]	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float*,...	Single	0.42	0.37	0.38	0.33	0.28	0.25	0.16	0.06	1.11	0.54	0.29	0.17	0.08	0.06	0.04	0.02	1.11	0.52	0.28	0.13	0.06	0.03	0.02	0.01	1	2	4	8	16	32	61	97	47.25	47.02	1.29	1	1.45	1	1.04	1.07	1.31	1.33	2	2	2	NA	NA	NA	NA	NA	1	0	1.07	0	0.99	0	1.07	0	1.16	0	1.16	0	0.87	0.02	0.87	0.01
14189	libgromacs.so.8 - lincs.cpp:845-857 [...]	gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef<float const>, t_commrec const, bool, floa...	Single	0.42	0.36	0.43	0.4	0.39	0.29	0.26	0.15	1.1	0.5	0.37	0.21	0.14	0.06	0.04	0.06	1.1	0.5	0.32	0.16	0.09	0.04	0.03	0.02	1	2	4	8	16	32	64	124	90.32	68.39	1.2	1	1.28	1	1	1.16	1.31	1.56	1.5	1.33	3	2	2	1	13	1	1	0	1.1	0	0.86	0.06	0.86	0.06	0.76	0.09	0.86	0.04	0.57	0.11	0.43	0.09
3503	libgromacs.so.8 - pairlist.cpp:3520-3522	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.39	0.36	0.34	0.3	0.3	0.23	0.16	0.06	1.02	0.51	0.29	0.16	0.09	0.05	0.04	0.03	1.02	0.51	0.25	0.12	0.07	0.03	0.02	0.01	1	2	4	8	16	32	64	105	7.14	15.18	1.09	1.41	6.99	1	1	1.16	1.33	1.29	1.67	2	3	1	0	1	0	0	1	0	1	0	1.02	0	1.06	0	0.91	0.03	1.06	0	0.8	0.03	0.8	0.01
14199	libgromacs.so.8 - lincs.cpp:290-292 [...]	gmx::lincs_matrix_expand(gmx::Lincs const&, (anonymous namespace)::Task const&, gmx::ArrayRef<float const>, gmx::ArrayRef<float>, gmx::ArrayRef<float>, gmx::ArrayRef<float>)	Innermost	0.35	0.36	0.24	0.25	0.24	0.23	0.19	0.28	0.93	0.55	0.23	0.14	0.08	0.08	0.06	0.1	0.93	0.51	0.17	0.1	0.06	0.03	0.02	0.04	1	2	4	8	16	32	56	109	38.46	38.46	1	1.23	1.68	1	1.08	1.35	1.4	1.6	2.67	3	2.5	0	2	0	0	4	1	0	0.91	0.03	1.37	0	1.16	0	0.97	0.01	0.97	0.01	0.73	0.05	0.18	0.23
14603	libgromacs.so.8 - update.cpp:486-486 [...]	gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...	Single	0.33	0.34	0.42	0.76	0.43	0.42	0.37	0.46	0.87	0.5	0.37	0.37	0.14	0.1	0.08	0.12	0.87	0.48	0.31	0.3	0.1	0.06	0.04	0.06	1	2	4	8	16	32	64	128	100	95.45	1	1	1.08	1	1.04	1.23	1.23	1.4	2	2	2	0	5	0	0	0	1	0	0.91	0.03	0.7	0.13	0.36	0.48	0.54	0.2	0.45	0.23	0.34	0.24	0.11	0.41
613	libgromacs.so.8 - impl_x86_avx_256_simd_float.h:96-406 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.3	0.3	0.31	0.27	0.23	0.2	0.13	0.05	0.79	0.43	0.3	0.14	0.08	0.05	0.03	0.02	0.79	0.43	0.23	0.11	0.05	0.03	0.01	0.01	1	2	4	8	16	32	58	98	88.43	89.81	1	1	1	1	1.02	1.3	1.27	1.6	1.67	3	2	2	1	0	10	1	1	0	0.92	0.02	0.86	0.04	0.9	0.03	0.99	0	0.82	0.04	1.23	0	0.62	0.02
611	libgromacs.so.8 - simd_diagonal_masker.h:104-169 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.27	0.28	0.23	0.23	0.23	0.17	0.14	0.05	0.72	0.5	0.22	0.16	0.11	0.06	0.05	0.04	0.72	0.4	0.17	0.09	0.05	0.02	0.02	0.01	1	2	4	8	15	31	54	74	89.48	90.74	1	1	1	1	1.28	1.29	1.78	2.2	3	2.5	4	2	1	0	12	0	1	0	0.9	0.03	1.06	0	1	0	0.9	0.02	1.13	0	0.56	0.06	0.56	0.02
1871	libgromacs.so.8 - atomdata.cpp:226-233	copy_rvec_to_nbat_real(int const, int, int, float const () [3], int, float*, int)	Single	0.25	0.24	0.23	0.23	0.43	0.56	0.73	1.04	0.65	0.48	0.25	0.16	0.23	0.18	0.18	0.34	0.65	0.34	0.17	0.09	0.1	0.08	0.08	0.14	1	2	3	6	11	22	44	87	0	12.5	1.06	1	8	1	1.41	1.09	1.33	1.64	1.64	1.8	1.7	0	1	1	1	0	1	0	0.96	0.01	0.96	0.01	0.9	0.02	0.41	0.26	0.25	0.42	0.13	0.64	0.04	1
92	gmx -	__intel_avx_rep_memcpy	Single	0.24	0.15	0.2	0.3	0.18	0.17	0.66	0.91	0.64	0.25	0.18	0.14	0.07	0.08	0.13	0.25	0.64	0.21	0.15	0.12	0.04	0.02	0.07	0.12	1	2	4	8	16	31	64	128	100	100	1	1.5	1.5	1	1.19	1.2	1.17	1.75	4	2.17	2.08	0	2	0	0	0	1	0	1.52	0	1.07	0	0.67	0.1	1	0	1	0	0.14	0.57	0.04	0.87
14188	libgromacs.so.8 - lincs.cpp:1135-1137 [...]	gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef<float const>, t_commrec const, bool, floa...	Innermost	0.24	0.23	0.21	0.21	0.24	0.22	0.17	0.11	0.64	0.33	0.19	0.11	0.09	0.05	0.05	0.04	0.63	0.33	0.16	0.08	0.06	0.03	0.02	0.01	1	2	4	8	16	32	61	115	0	12.5	1	1.42	10.22	1	1.03	1.19	1.38	1.8	1.67	2.5	2	1	3	0	1	0	1	0	0.95	0.01	0.98	0	0.98	0	0.66	0.08	0.66	0.08	0.49	0.09	0.49	0.06
16177	libgromacs.so.8 - pme_solve.cpp:233-233 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.22	0.19	0.15	0.17	0.16	0.13	0.09	0.03	0.58	0.3	0.12	0.08	0.06	0.04	0.02	0.02	0.58	0.27	0.11	0.07	0.04	0.02	0.01	0	1	2	4	8	16	30	49	69	95.24	95.83	1	1	1	1	1.11	1.09	1.14	1.5	2	2	2	1	3	0	0	0	1	0	1.07	0	1.32	0	1.04	0	0.91	0.02	0.91	0.01	0.91	0.01	1	0
3496	libgromacs.so.8 - pairlist_simd_4xm.h:204-260 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.2	0.22	0.18	0.16	0.14	0.12	0.12	0.04	0.53	0.36	0.14	0.11	0.05	0.03	0.02	0.02	0.53	0.32	0.13	0.06	0.03	0.02	0.01	0.01	1	2	4	8	16	30	57	90	76.67	58.91	1.24	1.18	1.38	1	1.16	1.08	1.83	1.67	1.5	2	2	2.5	0	0	1.5	0	1	0	0.83	0.04	1.02	-0	1.1	0	1.1	0	0.83	0.02	0.83	0.02	0.41	0.02
1929	libgromacs.so.8 - atomdata.cpp:1142-1148 [...]	reduceForces(nbnxn_atomdata_t, gmx::AtomLocality, Nbnxm::GridSet const&, float () [3]) [clone .extracted]	Innermost	0.18	0.23	0.23	0.27	0.2	0.14	0.1	0.05	0.48	0.32	0.21	0.14	0.07	0.04	0.02	0.02	0.48	0.32	0.17	0.11	0.05	0.02	0.01	0.01	1	2	4	8	16	30	52	89	0	12.5	1	1.1	8	1	1	1.24	1.27	1.75	2	2	2	0	2	0	0	1	1	0	0.75	0.06	0.71	0.07	0.55	0.12	0.6	0.08	0.75	0.04	0.75	0.03	0.38	0.03
607	libgromacs.so.8 - kernel_outer.h:222-506 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Outermost	0.15	0.16	0.16	0.13	0.12	0.08	0.07	0.03	0.39	0.22	0.16	0.08	0.05	0.02	0.02	0.02	0.39	0.22	0.12	0.05	0.03	0.01	0.01	0	1	2	4	8	16	27	49	71	69.29	60.45	1.03	1.55	1.93	1	1	1.33	1.6	1.67	2	2	2	NA	NA	NA	NA	NA	1	0	0.89	0.02	0.81	0.03	0.97	0	0.81	0.02	1.22	0	0.61	0.03	1	0
608	libgromacs.so.8 - kernel_outer.h:473-473 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_VF_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.14	0.17	0.17	0.13	0.1	0.1	0.07	0.03	0.36	0.29	0.18	0.1	0.04	0.03	0.02	0.02	0.36	0.24	0.12	0.05	0.02	0.01	0.01	0	1	2	4	8	15	31	43	60	97.14	97.56	1	1	1	1	1.21	1.5	2	2	3	2	2	4	0	1	3	3	1	0	0.75	0.04	0.75	0.04	0.9	0.01	1.13	0	1.13	0	0.56	0.03	1	0
602	libgromacs.so.8 - kernel_outer.h:465-468 [...]	nbnxm_kernel_ElecEw_VdwLJCombLB_F_4xm(NbnxnPairlistCpu const, nbnxn_atomdata_t const, interaction_const_t const, float const () [3], nbnxn_atomdata_output_t*)	Innermost	0.13	0.11	0.11	0.11	0.09	0.07	0.05	0.02	0.34	0.2	0.11	0.08	0.04	0.03	0.03	0.02	0.34	0.16	0.08	0.05	0.02	0.01	0.01	0	1	2	4	8	16	29	34	42	96.38	96.68	1	1	1	1	1.25	1.38	1.6	2	3	3	2	2	1	1	6	2	1	0	1.06	0	1.06	0	0.85	0.02	1.06	0	1.06	-0	0.53	0.02	1	0
14619	libgromacs.so.8 - update.cpp:1660-1664 [...]	gmx::Update::Impl::finish_update(t_inputrec const&, bool, int, gmx::ArrayRef<unsigned short const>, t_state, gmx_wallcycle, bool) [clone .extracted]	Single	0.11	0.1	0.15	0.1	0.22	0.44	0.63	0.65	0.28	0.18	0.13	0.06	0.09	0.1	0.15	0.14	0.28	0.14	0.11	0.04	0.05	0.06	0.07	0.09	1	2	4	8	16	32	64	128	0	16.67	1	1	6.86	1	1.38	1.18	1.5	1.8	1.67	2.5	1.75	2	0	2	0	0	1	0	1	0	0.64	0.05	0.88	0.01	0.35	0.14	0.15	0.38	0.06	0.59	0.02	0.63
14258	libgromacs.so.8 - md_support.cpp:139-157 [...]	calc_ke_part_normal(gmx::ArrayRef<gmx::BasicVector<float> const>, t_grpopts const, t_mdatoms const, gmx_ekindata_t, t_nrnb, bool) [clone .extracted]	Innermost	0.1	0.09	0.11	0.07	0.07	0.06	0.04	0.04	0.25	0.13	0.1	0.05	0.03	0.02	0.02	0.02	0.25	0.13	0.08	0.03	0.02	0.01	0	0.01	1	2	4	8	16	26	29	81	21.05	27.71	1.18	1.16	1.85	1	1	1.25	1.67	1.5	2	2	2	NA	NA	NA	NA	NA	1	0	0.96	0	0.78	0.02	1.04	-0	0.78	0.02	0.78	0.01	1	0	0.2	0.03
16174	libgromacs.so.8 - pme_solve.cpp:554-559	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.1	0.16	0.18	0.13	0.09	0.06	0.05	0.02	0.26	0.24	0.32	0.1	0.04	0.02	0.02	0.01	0.26	0.22	0.13	0.05	0.02	0.01	0.01	0	1	2	4	8	16	28	37	42	100	87.5	1	1	1	1	1.09	2.46	2	2	2	2	1	0	2	0	0	0	1	0	0.59	0.07	0.5	0.09	0.65	0.05	0.81	0.02	0.81	0.01	0.41	0.03	1	0
14470	libgromacs.so.8 - settle.cpp:425-425 [...]	void gmx::settleTemplateWrapper<gmx::SimdFloat, gmx::SimdFBool, 8, float const>(gmx::SettleData const&, int, int, float const, float const, float, float, float, bool, float () [3], bool*)	Single	0.1	0.08	0.08	0.08	0.08	0.08	0.08	0.1	0.26	0.14	0.08	0.06	0.05	0.03	0.02	0.03	0.26	0.11	0.06	0.03	0.02	0.01	0.01	0.01	1	2	4	8	16	28	53	113	97.11	83.83	1.1	1	1.14	1	1.27	1.33	2	2.5	3	2	3	2	2	4	39	1	1	0	1.18	0	1.08	0	1.08	0	0.81	0.01	0.81	0.01	0.41	0.05	0.2	0.08
3504	libgromacs.so.8 - pairlist.cpp:3505-3507	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.09	0.08	0.07	0.08	0.04	0.04	0.03	0.02	0.24	0.13	0.06	0.05	0.03	0.02	0.01	0.01	0.25	0.12	0.05	0.03	0.01	0.01	0	0	1	2	4	8	13	19	29	45	0	12.5	1.11	1.46	8	1	1.08	1.2	1.67	3	2	1	1	1	0	1	0	0	1	0	1.04	-0	1.25	0	1.04	-0	1.56	0	0.78	0.01	1	0	1	0
3486	libgromacs.so.8 - pairlist.cpp:1330-1430 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	InBetween	0.09	0.08	0.09	0.08	0.06	0.07	0.05	0.02	0.24	0.13	0.07	0.07	0.03	0.02	0.02	0.02	0.24	0.11	0.06	0.03	0.01	0.01	0.01	0	1	2	4	8	14	28	42	62	0	15.63	1	1	7.53	1	1.18	1.17	2.33	1.5	2	2	2	NA	NA	NA	NA	NA	1	0	1.09	0	1	0	1	0	1.5	0	0.75	0.02	0.38	0.03	1	0
15696	libgromacs.so.8 - vec.h:141-335 [...]	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::angles<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, flo...	Single	0.08	0.1	0.09	0.1	0.07	0.05	0.04	0.02	0.21	0.17	0.1	0.07	0.04	0.03	0.01	0.01	0.21	0.15	0.07	0.04	0.02	0.01	0	0	1	2	4	8	15	23	32	38	23.9	20.17	1.33	1.6	5.25	1	1.21	1.43	1.75	2	3	1	1	1	0	3.5	1	2	1	0	0.7	0.03	0.75	0.02	0.66	0.03	0.66	0.02	0.66	0.02	1	0	1	0
4901	libgromacs.so.8 - threaded_force_buffer.cpp:78-78 [...]	gmx::ThreadForceBuffer<float [4]>::clearForcesAndEnergies()	Single	0.08	0.11	0.16	0.28	0.36	0.26	0.38	0.25	0.21	0.16	0.15	0.14	0.14	0.06	0.1	0.11	0.21	0.16	0.12	0.11	0.08	0.04	0.04	0.03	1	2	4	8	16	32	63	127	100	100	1	2	2	1	1	1.36	1.27	1.75	2	2.5	3.67	0	1	0	1	0	1	0	0.66	0.04	0.44	0.09	0.24	0.21	0.16	0.3	0.16	0.22	0.08	0.35	0.05	0.24
16181	libgromacs.so.8 - pme_solve.cpp:521-530	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.08	0.07	0.06	0.07	0.06	0.05	0.03	0.01	0.21	0.12	0.05	0.05	0.02	0.03	0.02	0.01	0.21	0.1	0.05	0.03	0.01	0.01	0	0	1	2	4	8	14	22	34	32	87.5	89.06	1	1	1.1	1	1.2	1	1.67	2	3	2	1	0	3	0	0	0	1	0	1.05	-0	1.05	-0	0.88	0.01	1.31	0	0.66	0.02	1	0	1	0
14184	libgromacs.so.8 - lincs.cpp:966-978 [...]	gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef<float const>, t_commrec const, bool, floa...	Innermost	0.08	0.09	0.08	0.08	0.11	0.13	0.09	0.06	0.21	0.15	0.08	0.06	0.06	0.05	0.03	0.03	0.21	0.13	0.06	0.03	0.02	0.02	0.01	0.01	1	2	4	8	16	31	51	99	94.12	72.79	1	1.05	1.26	1	1.15	1.33	2	3	2.5	3	3	2	5	0	1	0	1	0	0.81	0.02	0.88	0.01	0.88	0.01	0.66	0.04	0.33	0.09	0.33	0.06	0.16	0.05
3495	libgromacs.so.8 - pairlist.cpp:162-963 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.08	0.11	0.1	0.09	0.09	0.07	0.04	0.02	0.2	0.16	0.09	0.06	0.03	0.02	0.01	0.02	0.2	0.15	0.08	0.04	0.02	0.01	0	0	1	2	4	8	16	29	43	50	6.7	17.61	1	1	9.48	1	1.07	1.13	1.5	1.5	2	1	2	1	0.5	0	2	2	1	0	0.67	0.04	0.63	0.04	0.63	0.03	0.63	0.03	0.63	0.03	1	0	1	0
16179	libgromacs.so.8 - pme_solve.cpp:533-542	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.08	0.06	0.07	0.05	0.04	0.03	0.02	0.01	0.2	0.11	0.06	0.03	0.02	0.03	0.01	0.01	0.2	0.08	0.05	0.02	0.01	0	0	0	1	2	4	8	12	16	24	29	87.5	89.06	1	1	1.1	1	1.38	1.2	1.5	2	3	1	1	0	3	0	0	0	1	0	1.25	0	1	0	1.25	0	1.25	0	1	0	1	0	1	0
16192	libgromacs.so.8 - pme_solve.cpp:456-469	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.07	0.04	0.04	0.05	0.03	0.03	0.02	0.01	0.17	0.06	0.04	0.04	0.02	0.01	0.02	0.01	0.17	0.06	0.03	0.02	0.01	0	0	0	1	2	4	8	12	19	21	28	5.88	14.71	1	2	10.67	1	1	1.33	2	2	1	2	1	0	7	0	0	0	1	0	1.42	0	1.42	0	1.06	-0	1.06	-0	1	0	1	0	1	0
15706	libgromacs.so.8 - bonded.cpp:1913-2008 [...]	std::enable_if<(((BondedKernelFlavor)2)!=((BondedKernelFlavor)0))\|\|(!(1)), float>::type (anonymous namespace)::pdihs<(BondedKernelFlavor)2>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, floa...	Innermost	0.07	0.07	0.07	0.06	0.05	0.05	0.03	0.01	0.18	0.1	0.06	0.04	0.02	0.02	0.01	0.01	0.18	0.09	0.05	0.02	0.01	0.01	0	0	1	2	4	8	14	21	28	29	0	14.03	1.22	1.15	7.63	1	1.11	1.2	2	2	2	1	1	2	0	0	3	1	1	0	1	0	0.9	0.01	1.13	0	1.13	0	0.56	0.02	1	0	1	0
14504	libgromacs.so.8 - sim_util.cpp:466-466 [...]	setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle)	Single	0.06	0	0	0	0	0	0	0	0.17								0.17								1								0	18.75	1.5	1.5	10	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0
16173	libgromacs.so.8 - pme_solve.cpp:233-560 [...]	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Outermost	0.06	0.08	0.07	0.06	0.06	0.06	0.04	0.01	0.15	0.15	0.07	0.06	0.03	0.02	0.01	0.01	0.15	0.12	0.05	0.02	0.01	0.01	0	0	1	2	4	8	16	25	33	38	52.89	46.86	1.48	1.05	1.36	1	1.25	1.4	3	3	2	1	1	NA	NA	NA	NA	NA	1	0	0.63	0.03	0.75	0.02	0.94	0	0.94	0	0.47	0.03	1	0	1	0
14272	libgromacs.so.8 - mdatoms.cpp:266-437 [...]	atoms2md(gmx_mtop_t const&, t_inputrec const&, int, gmx::ArrayRef<int>, int, gmx::MDAtoms*) [clone .extracted]	Outermost	0.06	0.05	0.05	0.04	0.04	0.04	0.02	0.02	0.15	0.07	0.04	0.02	0.02	0.01	0.01	0.01	0.15	0.07	0.04	0.02	0.01	0.01	0	0	1	2	4	8	13	24	25	60	9.76	18.24	1.37	2.15	9.01	1	1	1	2	2	1	1	1	NA	NA	NA	NA	NA	1	0	1.07	-0	0.94	0	0.94	0	0.94	0	0.47	0.02	1	0	1	0
15872	libgromacs.so.8 - vec.h:141-345 [...]	do_pairs(int, int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float const, float, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<bool const>, gmx::ArrayRef<un...	Single	0.06	0.08	0.07	0.08	0.05	0.03	0.03	0.01	0.16	0.13	0.05	0.05	0.02	0.01	0.01	0.01	0.16	0.11	0.05	0.03	0.01	0	0	0	1	2	4	8	14	18	28	30	15.82	18.39	1.53	1.36	9.04	1	1.18	1	1.67	2	1	1	1	NA	NA	NA	NA	NA	1	0	0.73	0.02	0.8	0.01	0.67	0.03	1	0	1	0	1	0	1	0
14607	libgromacs.so.8 - update.cpp:367-393 [...]	gmx::Update::Impl::update_coords(t_inputrec const&, long, int, bool, gmx::ArrayRef<ParticleType const>, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, t_state*, gmx::ArrayRefWithPadding<gmx::BasicVe...	Single	0.05	0.05	0.06	0.08	0.06	0.05	0.05	0.03	0.13	0.08	0.06	0.05	0.02	0.02	0.02	0.02	0.13	0.07	0.05	0.03	0.01	0.01	0	0	1	2	4	8	16	21	36	74	35.29	25.74	1.07	1.17	4.13	1	1.14	1.2	1.67	2	2	2	2	1	1	5	1	0	1	0	0.93	0	0.65	0.02	0.54	0.04	0.81	0.01	0.41	0.03	1	0	1	0
4128	libgromacs.so.8 - hashedmap.h:274-281 [...]	int assignInteractionsForAtom<true>(AtomIndexSet const&, reverse_ilist_t const&, gmx_ga2la_t const&, gmx_domdec_zones_t const&, bool, int const, bool, float, t_pbc const, gmx::ArrayRef<gmx::BasicVector<float> const>, Int...	Outermost	0.05	0.04	0.02	0.04	0.04	0.04	0.01	0.01	0.14	0.07	0.04	0.04	0.02	0.02	0.01	0.01	0.14	0.05	0.02	0.02	0.01	0.01	0	0	1	2	2	6	10	17	16	28	6.25	16.41	3.07	1	16.6	1	1.4	1.33	2	2	2	1	1	NA	NA	NA	NA	NA	1	0	1.4	0	1.75	0	0.88	0	0.88	0	0.44	0.02	1	0	1	0
16376	libgromacs.so.8 - fft5d.cpp:849-855	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.04	0.05	0.06	0.08	0.05	0.05	0.04	0.02	0.11	0.07	0.05	0.06	0.03	0.02	0.01	0.02	0.11	0.07	0.05	0.03	0.01	0.01	0	0	1	2	4	8	13	19	31	55	0	18.24	1	1	5.69	1	1	1	2	3	2	1	2	NA	NA	NA	NA	NA	1	0	0.79	0.01	0.55	0.03	0.46	0.04	0.69	0.02	0.34	0.03	1	0	1	0
16183	libgromacs.so.8 - pme_solve.cpp:498-510	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.03	0.03	0.03	0.01	0.02	0.01	0.01	0.1	0.04	0.03	0.02	0.01	0.01	0	0.01	0.1	0.04	0.02	0.01	0	0	0	0	1	2	4	7	7	14	10	15	100	90.91	1	1	1.1	1	1	1.5	2	1	1	0	1	1	6	0	0	0	1	0	1.25	0	1.25	0	1.25	0	1	0	1	0	1	0	1	0
16370	libgromacs.so.8 - fft5d.cpp:912-918	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	InBetween	0.04	0.02	0.03	0.03	0.03	0.03	0.02	0.01	0.1	0.04	0.05	0.03	0.02	0.02	0.01	0.01	0.1	0.04	0.03	0.01	0.01	0	0	0	1	2	4	8	11	18	25	31	0	18.45	2.74	1	7.08	1	1.33	1.67	3	2	2	1	1	NA	NA	NA	NA	NA	1	0	1.25	0	0.83	0	1.25	0	0.63	0.01	1	0	1	0	1	0
16193	libgromacs.so.8 - pme_solve.cpp:440-453	solve_pme_yzx(gmx_pme_t const, t_complex, float, bool, int, int)	Innermost	0.04	0.05	0.06	0.04	0.04	0.03	0.03	0.01	0.11	0.07	0.07	0.04	0.02	0.02	0.02	0.01	0.11	0.07	0.05	0.02	0.01	0	0	0	1	2	4	8	14	18	28	29	5.88	14.71	1	2	10.67	1	1.17	1.4	2	2	2	2	1	0	7	0	0	0	1	0	0.79	0.01	0.55	0.03	0.69	0.01	0.69	0.01	1	0	1	0	1	0
16085	libgromacs.so.8 - pme_grid.cpp:537-539	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted]	Innermost	0.04	0.06	0.08	0.07	0.05	0.08	0.22	0.22	0.1	0.09	0.08	0.04	0.03	0.02	0.05	0.1	0.11	0.08	0.06	0.03	0.01	0.01	0.02	0.03	1	2	4	8	15	30	55	91	0	12.5	1	1	8	1	1.13	1.6	1.33	3	2	1.67	2.5	0	2	0	0	0	1	0	0.69	0.02	0.46	0.04	0.46	0.04	0.69	0.02	0.34	0.05	0.09	0.2	0.03	0.21
16062	libgromacs.so.8 - pme_grid.cpp:440-442	wrap_periodic_pmegrid(gmx_pme_t const, float)	Innermost	0.04	0	0	0	0	0	0	0	0.11								0.11								1								0	12.5	1	1	8	1	0	0	0	0	0	0	0	0	2	0	0	0	1	0
3477	libgromacs.so.8 - stl_vector.h:919-1798 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	InBetween	0.04	0.04	0.04	0.04	0.04	0.03	0.01	0.01	0.11	0.05	0.05	0.03	0.02	0.02	0.01	0.02	0.11	0.05	0.03	0.02	0.01	0	0	0	1	2	4	8	13	19	16	21	22.31	27.98	2.3	1	1.77	1	1	1.67	1.5	2	2	1	2	NA	NA	NA	NA	NA	1	0	1.1	-0	0.92	0	0.69	0.01	0.69	0.01	1	0	1	0	1	0
15651	libgromacs.so.8 - bonded.cpp:2179-2256 [...]	std::enable_if<((BondedKernelFlavor)0)==((BondedKernelFlavor)0), float>::type (anonymous namespace)::rbdihs<(BondedKernelFlavor)0>(int, int const, t_iparams const, float const () [3], float () [4], float () [3], t_pbc const, float, float*...	Single	0.03	0.02	0.04	0.02	0.03	0.02	0.01	0.01	0.09	0.04	0.04	0.04	0.03	0.03	0.01	0.01	0.09	0.04	0.03	0.01	0.01	0	0	0	1	2	4	4	8	10	12	20	59.09	62.94	1.38	1	1.33	1	1.33	1.33	2	3	3	1	1	NA	NA	NA	NA	NA	1	0	1.13	-0	0.75	0.01	1.13	-0	0.56	0.01	1	0	1	0	1	0
4119	libgromacs.so.8 - stl_vector.h:346-1762 [...]	void make_exclusions_zone<true>(gmx::ArrayRef<int const>, gmx_ga2la_t const&, gmx_domdec_zones_t const&, gmx::ArrayRef<MolblockIndices const>, std::vector<gmx_moltype_t, std::allocator<gmx_moltype_t> > const&, gmx:...	InBetween	0.03	0.02	0.03	0.02	0.03	0.06	0.05	0.02	0.08	0.03	0.02	0.03	0.02	0.02	0.02	0.02	0.08	0.03	0.02	0.01	0.01	0.01	0	0	1	2	4	7	12	24	38	53	0	22.07	1	1	14.99	1	1	1	3	2	2	2	2	NA	NA	NA	NA	NA	1	0	1.33	0	1	0	1	0	0.5	0.01	0.25	0.04	1	0	1	0
3517	libgromacs.so.8 - pairlist.cpp:2082-2086 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.03	0.04	0.03	0.03	0.02	0.02	0.01	0.01	0.08	0.08	0.04	0.02	0.01	0.02	0.01	0.01	0.08	0.06	0.02	0.01	0	0	0	0	1	2	4	8	10	12	16	16	0	13.1	1	1	8	1	1.33	2	2	1	2	1	1	NA	NA	NA	NA	NA	1	0	0.67	0.01	1	0	1	0	1	0	1	0	1	0	1	0
3515	libgromacs.so.8 - pairlist.cpp:2092-2096 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.03	0.02	0.03	0.02	0.01	0.03	0.01	0.01	0.09	0.04	0.02	0.02	0.01	0.01	0	0.01	0.09	0.03	0.02	0.01	0	0	0	0	1	2	4	8	4	17	16	17	0	13.02	1	1	8	1	1.33	1	2	1	1	0	1	NA	NA	NA	NA	NA	1	0	1.5	0	1.13	-0	1.13	-0	1	0	1	0	1	0	1	0
3487	libgromacs.so.8 - pairlist.cpp:1341-1351 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	Innermost	0.03	0.02	0.02	0.04	0.02	0.02	0.02	0.01	0.09	0.04	0.02	0.03	0.01	0.01	0.01	0.01	0.09	0.04	0.01	0.01	0	0	0	0	1	2	4	7	8	13	15	17	0	12.5	1	1	8	1	1.33	2	1.5	1	1	1	1	1	0	0	0	1	1	0	1.13	-0	2.25	0	1.13	0	1	0	1	0	1	0	1	0
13612	libgromacs.so.8 - calcvir.cpp:61-67 [...]	calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3])	Single	0.03	0	0	0	0	0	0	0	0.08								0.08								1								64.29	54.46	1	1.09	1.45	1	0	0	0	0	0	0	0	0	0	2	0	0	1	0
14183	libgromacs.so.8 - lincs.cpp:1205-1205 [...]	gmx::do_lincs(gmx::ArrayRefWithPadding<gmx::BasicVector<float> const>, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, float const () [3], t_pbc, gmx::Lincs, int, gmx::ArrayRef<float const>, t_commrec const, bool, floa...	Innermost	0.02	0.01	0.02	0.01	0.01	0.01	0.01	0.01	0.05	0.02	0.03	0.02	0.01	0.01	0	0.01	0.04	0.01	0.01	0.01	0	0	0	0	1	2	3	6	6	8	10	28	100	100	1	1.2	1.2	1	2	1.5	2	1	0	0	1	0	4	0	0	0	1	0	2	0	1	0	0.5	0.01	1	0	1	0	1	0	1	0
3485	libgromacs.so.8 - pairlist.cpp:1330-1430 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	InBetween	0.02	0.02	0.02	0.02	0.01	0.01	0.02	0.01	0.06	0.03	0.02	0.02	0.01	0.01	0.01	0.01	0.06	0.03	0.01	0.01	0	0	0	0	1	2	4	6	6	11	19	19	0	18.75	1	1	7.08	1	1	2	2	1	1	1	1	NA	NA	NA	NA	NA	1	0	1	0	1.5	0	0.75	0.01	1	0	1	0	1	0	1	0
14507	libgromacs.so.8 - sim_util.cpp:149-150 [...]	sum_forces(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<gmx::BasicVector<float> const>) [clone .extracted]	Single	0.02	0.01	0.02	0.01	0.02	0.03	0.02	0.02	0.06	0.02	0.02	0.01	0.01	0.01	0.02	0.02	0.06	0.02	0.01	0.01	0.01	0	0	0	1	2	4	5	12	20	21	50	28.57	23.21	1	1	5.33	1	1	2	1	1	1	2	2	0	0	2	0	0	1	0	1.5	0	1.5	0	0.75	0	0.38	0.01	1	0	1	0	1	0
3489	libgromacs.so.8 - pairlist.cpp:162-4097 [...]	PairlistSet::constructPairlists(gmx::InteractionLocality, Nbnxm::GridSet const&, gmx::ArrayRef<PairsearchWork>, nbnxn_atomdata_t, gmx::ListOfLists<int> const&, int, t_nrnb, SearchCycleCounting*) [clone .extracted.67]	InBetween	0.02	0.02	0.02	0.03	0.01	0.01	0.01	0.01	0.05	0.04	0.02	0.02	0.01	0.01	0	0.01	0.04	0.02	0.02	0.01	0	0	0	0	1	2	4	7	8	9	13	14	7.69	16.47	1.45	1.47	9.58	1	2	2	2	1	1	0	1	NA	NA	NA	NA	NA	1	0	1	0	0.5	0.01	0.5	0.01	1	0	1	0	1	0	1	0
4399	libgromacs.so.8 - vec.h:141-198 [...]	dd_redistribute_cg(_IO_FILE, long, gmx_domdec_t, int, t_state, t_forcerec, t_nrnb, int*) [clone .extracted]	InBetween	0.02	0.02	0.03	0.02	0.02	0.01	0.01	0.01	0.04	0.03	0.04	0.01	0.02	0.01	0.01	0.01	0.04	0.03	0.02	0.01	0	0	0	0	1	2	4	7	9	9	11	23	16.67	19.42	1.76	1.9	9.08	1	1.5	2	1	2	0	1	1	NA	NA	NA	NA	NA	1	0	0.67	0.01	0.5	0.01	0.5	0.01	1	0	1	0	1	0	1	0
16090	libgromacs.so.8 - pme_grid.cpp:520-522	unwrap_periodic_pmegrid(gmx_pme_t, float) [clone .extracted.30]	Innermost	0.02	0.03	0.03	0.04	0.02	0.02	0.06	0.1	0.04	0.05	0.02	0.03	0.01	0.02	0.02	0.04	0.04	0.05	0.02	0.02	0	0	0.01	0.01	1	2	4	6	9	11	42	94	0	12.5	1	1.5	12	1	1.25	1	1.5	1	2	2	2	0	2	0	0	0	1	0	0.4	0.02	0.5	0.01	0.25	0.03	1	0	1	0	0.06	0.06	0.03	0.1
14502	libgromacs.so.8 - sim_util.cpp:466-466 [...]	setupForceOutputs(ForceHelperBuffers, gmx::ArrayRefWithPadding<gmx::BasicVector<float> >, gmx::DomainLifetimeWorkload const&, gmx::StepWorkload const&, bool, gmx_wallcycle)	Single	0.02	0	0	0	0	0	0	0	0.05								0.05								1								0	18.75	1.5	1.5	10	1	0	0	0	0	0	0	0	0	0	1	0	0	1	0
16055	libgromacs.so.8 - pme_grid.cpp:469-471	wrap_periodic_pmegrid(gmx_pme_t const, float)	Innermost	0.01	0	0	0	0	0	0	0	0.02								0.02								1								0	12.5	1	1	8	1	0	0	0	0	0	0	0	0	2	0	0	0	1	0
16059	libgromacs.so.8 - pme_grid.cpp:453-455	wrap_periodic_pmegrid(gmx_pme_t const, float)	Innermost	0.01	0	0	0	0	0	0	0	0.03								0.03								1								0	12.5	1	1	8	1	0	0	0	0	0	0	0	0	2	0	0	0	1	0
4839	libgromacs.so.8 - threaded_force_buffer.cpp:170-211 [...]	void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...	Outermost	0.01	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0.02	0.01	0.01	0.01	0	0	0	0	1	2	4	6	7	11	10	20	5	19.38	2.96	1	6.93	1	1	1	1	2	0	1	1	NA	NA	NA	NA	NA	1	0	1	0	0.5	0.01	0.25	0.01	1	0	1	0	1	0	1	0
14222	libgromacs.so.8 - lincs.cpp:1305-1374 [...]	gmx::set_lincs_matrix(gmx::Lincs*, gmx::ArrayRef<float const>, float) [clone .extracted]	InBetween	0.01	0.01	0.02	0.01	0.01	0.01	0.02	0.01	0.04	0.02	0.02	0.01	0.01	0.01	0.01	0.01	0.04	0.02	0.01	0.01	0	0	0	0	1	2	4	5	4	6	18	31	0	14.71	2	2.46	7.5	1	1	2	1	1	1	1	1	NA	NA	NA	NA	NA	1	0	1	0	1	0	0.5	0.01	1	0	1	0	1	0	1	0
16061	libgromacs.so.8 - pme_grid.cpp:438-442	wrap_periodic_pmegrid(gmx_pme_t const, float)	InBetween	0.01	0	0	0	0	0	0	0	0.02								0.02								1								0	22.5	1	1	6.46	1	0	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0
16067	libgromacs.so.8 - pme_grid.cpp:502-504	unwrap_periodic_pmegrid(gmx_pme_t, float)	Innermost	0.01	0.02	0.02	0.02	0.02	0.03	0.02	0.01	0.02	0.05	0.05	0.07	0.07	0.12	0.1	0.2	0.02	0.03	0.01	0.01	0	0	0	0	1	1	1	1	1	1	1	1	0	12.5	1	1.5	12	1	1	1	1	1	1	1	1	0	2	0	0	0	1	0	0.33	0.01	0.5	0.01	0.25	0.01	1	0	1	0	1	0	1	0
4844	libgromacs.so.8 - threaded_force_buffer.cpp:182-186 [...]	void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...	Innermost	0.01	0.01	0	0	0	0	0	0	0.03	0.01							0.03	0.01							1	2							33.33	33.33	1.35	1	3.83	1	1	0	0	0	0	0	0	1.5	0.5	0	1	1	1	0	1.5	0
16377	libgromacs.so.8 - fft5d.cpp:853-855	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Innermost	0.01	0.01	0.02	0.02	0.01	0.02	0.03	0.01	0.03	0.02	0.01	0.02	0.01	0.01	0.02	0.01	0.03	0.02	0.01	0.01	0	0	0	0	1	2	4	6	6	10	24	34	0	25	1	1	4	1	2	1	2	1	1	2	1	0	0	0	2	0	1	0	0.75	0	0.75	0.01	0.38	0.01	1	0	1	0	1	0	1	0
1933	libgromacs.so.8 - atomdata.cpp:1078-1080 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0	0.02	0.04	0.06	0.07	0.1	0.11	0.03		0.03	0.07	0.07	0.08	0.13	0.15	0.08		0.03	0.03	0.02	0.02	0.01	0.01	0		2	4	5	9	9	11	20	100	100	1	1	1	0	1.5	2.33	1.75	2.67	2.6	2.5	2.67	0	1	0	0	1			1	0	1	0	1	0	1	0	1	0	1	0	1	0
1939	libgromacs.so.8 - atomdata.cpp:1176-1180 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0	0	0	0.04	0.1	0.19	0.23	0.18				0.03	0.06	0.06	0.05	0.06				0.01	0.02	0.03	0.02	0.02				8	15	32	64	128	23.53	27.94	2.29	1	5.93	0	0	0	3	3	2	2.5	3	NA	NA	NA	NA	NA							1	0	1	0	1	0	1	0	1	0
1931	libgromacs.so.8 - atomdata.cpp:1022-1192 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	InBetween	0	0.03	0.04	0.03	0.03	0.02	0.01	0.01		0.05	0.04	0.02	0.02	0.01	0.02	0.01		0.05	0.03	0.01	0.01	0	0	0		2	4	7	12	14	11	25	7.41	20.25	4.1	1	15.74	0	1	1.33	2	2	1	2	1	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0	1	0
4840	libgromacs.so.8 - threaded_force_buffer.cpp:207-211 [...]	void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...	InBetween	0	0.02	0.05	0.03	0.03	0.03	0.04	0.02		0.04	0.05	0.03	0.01	0.02	0.02	0.02		0.03	0.04	0.01	0.01	0	0	0		2	4	7	12	17	33	50	0	20	2	1	6.89	0	1.33	1.25	3	1	2	2	2	2.5	0	0	2.75	0.75			1	0	1	0	1	0	1	0	1	0	1	0	1	0
16312	libgromacs.so.8 - pme_spread.cpp:172-174	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0	0.12	0.16	0.15	0.19	0.33	0.32	0.18		0.17	0.14	0.08	0.07	0.08	0.06	0.06		0.17	0.12	0.06	0.04	0.05	0.03	0.02		2	4	8	16	32	64	127	0	12.5	1	1	8	0	1	1.17	1.33	1.75	2	2	3	0	2	0	0	1			1	0	1	0	1	0	1	0	1	0	1	0	1	0
13616	libgromacs.so.8 - calcvir.cpp:61-67 [...]	calc_vir(int, float const () [3], float const () [3], float () [3], bool, float const () [3]) [clone .extracted]	Innermost	0	0.03	0.04	0.06	0.03	0.02	0.01	0.01		0.05	0.05	0.04	0.02	0.01	0.01	0.01		0.04	0.03	0.02	0.01	0	0	0		2	4	8	8	15	15	26	64.29	54.46	1	1.09	1.45	0	1.25	1.67	2	2	1	1	1	0	0	2	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0
1936	libgromacs.so.8 - atomdata.cpp:1091-1093 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0	0	0.04	0.09	0.19	0.24	0.81	0.52			0.06	0.07	0.07	0.1	0.17	0.25			0.03	0.04	0.04	0.03	0.08	0.07			3	6	13	29	62	122	100	100	1	1	1	0	0	2	1.4	1.4	2.5	2.13	3.57	0	1	0	0	1					1	0	1	0	1	0	1	0	1	0	1	0
16290	libgromacs.so.8 - pme_spread.cpp:441-447 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	Innermost	0	0.01	0.02	0.01	0.01	0.02	0.01	0.03		0.01	0.03	0.01	0.02	0.01	0.01	0.02		0.01	0.01	0	0	0	0	0		2	4	4	5	13	16	63	0	25	1	1	4	0	1	3	1	2	1	1	2	1	0	0	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0
16264	libgromacs.so.8 - pme_spread.cpp:639-641	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	Innermost	0	0.02	0.04	0.09	0.12	0.21	0.37	0.56		0.03	0.04	0.04	0.04	0.05	0.08	0.22		0.03	0.03	0.03	0.03	0.03	0.04	0.08		2	4	8	15	32	64	128	100	100	1	1	1	0	1.5	1.33	1.33	1.33	1.67	2	3.14	0	2	0	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0
4841	libgromacs.so.8 - threaded_force_buffer.cpp:209-211 [...]	void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...	Innermost	0	0.05	0.13	0.14	0.19	0.13	0.18	0.09		0.07	0.16	0.07	0.07	0.05	0.06	0.05		0.07	0.1	0.05	0.04	0.02	0.02	0.01		2	4	8	16	29	60	110	40	25	1	2.18	5.5	0	1	1.6	1.4	1.75	2.5	3	5	1	1	0	0	1			1	0	1	0	1	0	1	0	1	0	1	0	1	0
16309	libgromacs.so.8 - pme_spread.cpp:197-199	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.11]	Innermost	0	0.06	0.04	0.06	0.12	0.13	0.09	0.07		0.12	0.04	0.04	0.05	0.04	0.03	0.03		0.08	0.03	0.02	0.03	0.02	0.01	0.01		2	4	8	16	31	51	106	100	100	1	1	1	0	1.5	1.33	2	1.67	2	3	3	0	2	0	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0
1935	libgromacs.so.8 - atomdata.cpp:1088-1093 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	InBetween	0	0.01	0.06	0.06	0.07	0.11	0.28	0.31		0.04	0.1	0.05	0.03	0.05	0.09	0.17		0.02	0.04	0.02	0.02	0.01	0.03	0.04		1	3	6	14	24	58	115	22.22	38.89	1.75	1	1.35	0	1	1.67	1.67	1.5	2.5	3	4.25	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0	1	0
4845	libgromacs.so.8 - threaded_force_buffer.cpp:182-186 [...]	void gmx::(anonymous namespace)::reduceThreadForceBuffers<float [4]>(gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<std::unique_ptr<gmx::ThreadForceBuffer<float [4]>, std::default_delete<gmx::ThreadForceBuffer<fl...	Innermost	0	0	0.01	0.02	0.02	0.05	0.07	0.04			0.01	0.02	0.01	0.02	0.02	0.02			0.01	0.01	0	0.01	0.01	0.01			3	6	8	22	50	89	36.36	34.09	2.46	1	3.75	0	0	1	2	1	2	2	2	NA	NA	NA	NA	NA					1	0	1	0	1	0	1	0	1	0	1	0
16263	libgromacs.so.8 - pme_spread.cpp:635-641	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	InBetween	0	0.04	0.04	0.02	0.06	0.07	0.04	0.04		0.05	0.04	0.02	0.03	0.03	0.02	0.03		0.05	0.03	0.01	0.01	0.01	0	0.01		2	4	8	15	25	37	83	0	21.88	1	1	7.35	0	1	1.33	2	3	3	2	3	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0	1	0
14203	libgromacs.so.8 - lincs.cpp:425-440 [...]	gmx::lincs_update_atoms_ind(gmx::ArrayRef<int const>, gmx::ArrayRef<(anonymous namespace)::AtomPair const>, float, gmx::ArrayRef<float const>, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<float const>, flo...	Single	0	0.39	0.53	0.46	0.6	0.6	0.59	0.56		0.55	0.53	0.26	0.19	0.13	0.1	0.16		0.55	0.39	0.18	0.14	0.08	0.06	0.08		2	4	8	16	32	64	128	27.78	22.22	1	1.23	5.5	0	1	1.36	1.44	1.46	1.63	1.67	2.29	0	1	0	4	3			1	0	1	0	1	0	1	0	1	0	1	0	1	0
1937	libgromacs.so.8 - atomdata.cpp:1091-1093 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0	0	0	0	0	0.17	0.58	2.5						0.06	0.2	0.7						0.02	0.06	0.34						27	59	124	100	100	1	1	1	0	0	0	0	0	2	3.33	2.12	0	1	0	0	2											1	0	1	0	1	0
16262	libgromacs.so.8 - pme_spread.cpp:639-641	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted]	Innermost	0	0.15	0.16	0.25	0.76	0.58	0.47	0.91		0.22	0.15	0.14	0.23	0.13	0.1	0.3		0.22	0.12	0.1	0.17	0.08	0.05	0.12		2	4	8	16	32	64	128	0	12.5	1	1	8	0	1.05	1.25	1.4	1.35	1.63	2	2.5	0	2	0	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0
1934	libgromacs.so.8 - atomdata.cpp:1078-1080 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0	0	0	0	0.01	0.04	0.08	0.08					0	0.03	0.08	0.21					0	0.01	0.01	0.01					4	12	19	25	100	100	1	1	1	0	0	0	0	0	3	2.67	3.5	0	1	0	0	2									1	0	1	0	1	0	1	0
1938	libgromacs.so.8 - atomdata.cpp:1176-1180 [...]	nbnxn_atomdata_add_nbat_f_to_f_reduce(nbnxn_atomdata_t*, int) [clone .extracted]	Innermost	0	0.03	0.03	0.06	0.04	0.02	0.03	0.01		0.05	0.03	0.05	0.02	0.02	0.04	0.01		0.04	0.02	0.02	0.01	0	0	0		2	4	8	15	11	22	19	26.67	30.42	2.63	1	4.91	0	1.25	1.5	2.5	2	2	4	1	1.5	1	0.5	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0
16367	libgromacs.so.8 - fft5d.cpp:758-1369 [...]	fft5d_execute(fft5d_plan_t, int, gmx_wallcycle)	Outermost	0	0	0.01	0.01	0.01	0.01	0.01	0.01			0.01	0.01	0	0.01	0.01	0.01			0	0	0	0	0	0			2	3	9	5	12	23	0	17.02	1	1	8.36	0	0	1	1	0	0	1	1	NA	NA	NA	NA	NA					1	0	1	0	1	0	1	0	1	0	1	0
16320	libgromacs.so.8 - pme_spread.cpp:104-145 [...]	spread_on_grid(gmx_pme_t const, PmeAtomComm, pmegrids_t const, bool, bool, float, bool, int) [clone .extracted.18]	Innermost	0	0.78	0.8	0.71	1.04	1.21	1.18	0.8		1.12	0.63	0.3	0.33	0.21	0.17	0.19		1.09	0.59	0.28	0.24	0.17	0.12	0.11		2	4	8	16	32	64	128	17.65	19.12	1.31	1.9	4.58	0	1.03	1.09	1.07	1.43	1.31	1.42	1.9	1	4	1	0	9			1	0	1	0	1	0	1	0	1	0	1	0	1	0
15990	libgromacs.so.8 - pme.cpp:1397-1407	gmx_pme_do(gmx_pme_t*, gmx::ArrayRef<gmx::BasicVector<float> const>, gmx::ArrayRef<gmx::BasicVector<float> >, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<float const>, gmx::ArrayRef<flo...	Single	0	0	0	0	0	0	0.01	0.01							0	0.01							0	0							12	20	0	17.94	3.42	1	10.78	0	0	0	0	0	0	0	1	4.5	0	0	0	2													1	0	1	0
2070	libgromacs.so.8 - kernel_common.cpp:56-76 [...]	clearForceBuffer(nbnxn_atomdata_t*, int)	Single	0	0.17	0.31	0.62	0.73	1.31	3.94	8.56		0.28	0.25	0.3	0.22	0.31	0.62	1.87		0.25	0.23	0.25	0.17	0.18	0.41	1.16		2	4	8	16	32	64	128	53.57	65.18	1	1.75	2.15	0	1.17	1.14	1.25	1.38	1.82	1.59	1.7	0	1.33	0.33	0	0			1	0	1	0	1	0	1	0	1	0	1	0	1	0

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